Shibuta Yasushi 澁田靖

… Alternative Names

Researcher Number	90401124
Other IDs
External Links
Affiliation (Current)	2020: 東京大学, 大学院工学系研究科(工学部), 准教授
Affiliation (based on the past Project Information) *help	2015 – 2020: 東京大学, 大学院工学系研究科(工学部), 准教授 2015: 東京大学, 大学院工学系研究科, 准教授 2014 – 2015: 東京大学, 工学(系)研究科(研究院), 准教授 2011 – 2013: 東京大学, 工学(系)研究科(研究院), 講師 2011 – 2012: 東京大学, 大学院・工学系研究科, 講師 … More
Review Section/Research Field	Principal Investigator Thermal engineering / Physical properties of metals/Metal-base materials / Nanomaterials chemistry / Basic Section 26010:Metallic material properties-related Except Principal Investigator Metal making/Resorce production engineering / Science and Engineering / Material processing/treatments / Metal making engineering / Materials/Mechanics of materials / Physical properties of metals/Metal-base materials / Medium-sized Section 14:Plasma science and related fields / Basic Section 26060:Metals production and resources production-related
Keywords	Principal Investigator 分子動力学法 / ナノチューブ・フラーレン / 国際研究者交流:イギリス / マルチスケール解析 / 第一原理分子動力学 / 金属物性 / ナノチューブ / 鉄固相変態 / ナノ材料 / ベルギー … More Except Principal Investigator 分子動力学法 / フェーズフィールド法 / フェーズフィールドモデル / 数値解析 / シリコン / 太陽電池 / デンドライト / 凝固 / 凝固組織 / 酸化物伝導体 / 電気化学プロセス / イオン伝導体 / 連続鋳造 / 凝固欠陥 / 場の変動 / 電析デンドライト / 曲率効果 / 界面安定性 / イオン・電子伝導体 / メゾプラズマ / エピタキシャル成長 / シーメンス法 / クラスター / 単結晶シリコン / プラズマ加工 / エピタキシー / シーメンス / 収率 / ミクロ偏析 / 凝固工学 / 組織形成 / デンドライト組織 / 偏析 / シミュレーション / 多元系合金 / 結晶成長 / 融液成長 / フェーズフイールドモデル / silicon / solar cell / crystal growth / シリコンカーバイド / 固液界面 / 直接観察 / SiC / 溶液成長 / 界面観察 / ステップ構造 / 界面物性 / 優先成長方位 / 金属生産工学 / その場観察 / データサイエンス / 粒成長 / 材料組織 / 大規模計算 / 分子動力学 / ナノ結晶材料 / 粒界 / EAMポテンシャル / ハイエントロピー合金 / 機械特性 / 金属物性 / 粒界特性 / 転位 / プラズマCVD / カーボンナノチューブ / グラフェンナノリボン / 原子構造制御合成 / 界面エネルギー / データ同化 Less

先進プラズマ活用1次元ナノカーボン材料の完全原子配列制御合成と革新的応用開拓Ongoing
- Principal Investigator
  
  加藤俊顕
- Project Period (FY)
  2019 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 14:Plasma science and related fields
- Research Institution
  Tohoku University
合金組織形成ダイナミクスの原子論的理解に向けた分子動力学解析の時間スケール加速Principal InvestigatorOngoing
- Principal Investigator
  
  澁田靖
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  The University of Tokyo
原子・組織アプローチのデータ同化に基づく非平衡固液界面物性の学理開拓Ongoing
- Principal Investigator
  
  大野宗一
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26060:Metals production and resources production-related
- Research Institution
  Hokkaido University
Development of innovative prediction method of material microstructure by quantitative coupling of large-scale simulation and in situ observation
- Principal Investigator
  
  Takaki Tomohiro
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Materials/Mechanics of materials
- Research Institution
  Kyoto Institute of Technology
Molecular dynamics simulation of grain boundary behaviours in nanocrystalline materialsHost Researcher
- Host Researcher
  
  澁田靖
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for JSPS Fellows
- Research Field
  
  Physical properties of metals/Metal-base materials
- Research Institution
  The University of Tokyo
Very large scale molecular dynamics simulations for revealing and controlling of microstructure formation of alloysPrincipal Investigator
- Principal Investigator
  
  Shibuta Yasushi
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical properties of metals/Metal-base materials
- Research Institution
  The University of Tokyo
Novel anisotropic behavior of solid-liquid interfacial property and the related microstructure control
- Principal Investigator
  
  Ohno Munekazu
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Metal making/Resorce production engineering
- Research Institution
  Hokkaido University
Molecular dynamics study on dissociation of carbon source molecules for design of carbon nanotube and graphene without defectsPrincipal Investigator
- Principal Investigator
  
  Shibuta Yasushi
- Project Period (FY)
  2016 – 2017
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Nanomaterials chemistry
- Research Institution
  The University of Tokyo
Clarification of step structure formation on the solution growth interface of SiC by direct interface observation and molecular dynamics simulation
- Principal Investigator
  
  Yoshikawa Takeshi
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Metal making/Resorce production engineering
- Research Institution
  The University of Tokyo
A controlling method of microsegregation based on tie-line shift phenomenon during solidification in multi-component alloys
- Principal Investigator
  
  Ohno Munekazu
- Project Period (FY)
  2013 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Metal making/Resorce production engineering
- Research Institution
  Hokkaido University
Multiscale modeling of synthesis of thin film of diameter- and chirality-controlled carbon nanotubesPrincipal Investigator
- Principal Investigator
  
  SHIBUTA YASUSHI
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Thermal engineering
- Research Institution
  The University of Tokyo
Molecular dynamics study of epitaxial growth of silicon thin film via a plasma CVDPrincipal Investigator
- Principal Investigator
  
  SHIBUTA Yasushi
- Project Period (FY)
  2011 – 2012
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Thermal engineering
- Research Institution
  The University of Tokyo
Next generation mesoplasma SIEMENS technology for direct production of wafer-equivalent thin film solar cells
- Principal Investigator
  
  YOSHIDA Toyonobu
- Project Period (FY)
  2009 – 2012
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Research Field
  
  Material processing/treatments
- Research Institution
  The University of Tokyo
Molecular dynamics study of optimum structure of metal nanoparticles for chirality control of nanotubePrincipal Investigator
- Principal Investigator
  
  SHIBUTA Yasushi
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Thermal engineering
- Research Institution
  The University of Tokyo
鉄固相変態の分子動力学解析を目的とした格子変形パスを再現するポテンシャルの開発Principal Investigator
- Principal Investigator
  
  澁田靖
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Thermal engineering
- Research Institution
  The University of Tokyo
イオン・電子伝導体-イオン伝導体界面のフェーズフィールドモデル
- Principal Investigator
  
  鈴木俊夫
- Project Period (FY)
  2007 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
Multiscale modeling for nucleation, growth and bundle formation of single-walled carbon nanotubePrincipal Investigator
- Principal Investigator
  
  SHIBUTA Yasushi
- Project Period (FY)
  2006 – 2008
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Thermal engineering
- Research Institution
  The University of Tokyo
イオンフラックス下におけるイオン・電子伝導体-イオン伝導体界面の安定性解析
- Principal Investigator
  
  SUZUKI Toshio
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
不規則で大きな場の変動による局所不均一凝固組織形成の解明
- Principal Investigator
  
  鈴木俊夫
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  Metal making engineering
- Research Institution
  The University of Tokyo
Direct production of silicon crystals for solar cells from the melt of silicon alloys using self-shape maintaining characteristics of a crystal
- Principal Investigator
  
  SUZUKI Toshio
- Project Period (FY)
  2005 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Material processing/treatments
- Research Institution
  The University of Tokyo

[Book] Industrial Applications of Molecular Simulations2011
- Author(s)
  J.A.Elliott, Y.Shibuta(分担執筆)M.Meunier (Ed.)
- Publisher
  CRC Press
- Data Source
  KAKENHI-PROJECT-21686021
[Book] Industrial Applications of Molecular Simulations
- Author(s)
  M. Marc Meunier(Ed.), J. A. Elliott, Y. Shibuta, 他(分担執筆)
- Publisher
  CRC Press
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Accuracy Evaluation of Phase-field Models for Grain Growth Simulation with Anisotropic Grain Boundary Properties2020
- Author(s)
  Miyoshi Eisuke、Takaki Tomohiro、Ohno Munekazu、Shibuta Yasushi
- Journal Title
  
  ISIJ Int.
  
  Volume: 60 Issue: 1 Pages: 160-167
- DOI
  10.2355/isijinternational.isijint-2019-305
  10.2355/isijinternational.ISIJINT-2019-305
- NAID
  130007704099
- ISSN
  0915-1559, 1347-5460
- Language
  English
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-17J06356
[Journal Article] Mechanical response and plastic deformation of coherent twin boundary with perfect and defective structures2020
- Author(s)
  Zhang Liang、Mao Wei、Liu Mao、Shibuta Yasushi
- Journal Title
  
  Mechanics of Materials
  
  Volume: 141 Pages: 103266-103266
- DOI
  10.1016/j.mechmat.2019.103266
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17F17711
[Journal Article] Permeability tensor for columnar dendritic structures: Phase-field and lattice Boltzmann study2020
- Author(s)
  Mitsuyama Yasumasa、Takaki Tomohiro、Sakane Shinji、Shibuta Yasushi、Ohno Munekazu
- Journal Title
  
  Acta Materialia
  
  Volume: 188 Pages: 282-287
- DOI
  10.1016/j.actamat.2020.02.016
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01237
[Journal Article] Bayesian inference of solid-liquid interfacial properties out of equilibrium2020
- Author(s)
  Ohno Munekazu、Oka Yukimi、Sakane Shinji、Shibuta Yasushi、Takaki Tomohiro
- Journal Title
  
  Physical Review E
  
  Volume: 101 Pages: 052121-052121
- DOI
  10.1103/physreve.101.052121
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01237
[Journal Article] Permeability tensor for various columnar dendrite structures2020
- Author(s)
  Mitsuyama Y、Takaki T、Sakane S、Shibuta Y、Ohno M
- Journal Title
  
  IOP Conference Series: Materials Science and Engineering
  
  Volume: 861 Pages: 012029-012029
- DOI
  10.1088/1757-899x/861/1/012029
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17H01237
[Journal Article] Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics2020
- Author(s)
  Fukuhara Satoru、Bal Kristof M.、Neyts Erik C.、Shibuta Yasushi
- Journal Title
  
  Computational Materials Science
  
  Volume: 177 Pages: 109581-109581
- DOI
  10.1016/j.commatsci.2020.109581
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H02415, KAKENHI-PROJECT-18J22727
[Journal Article] Large-scale phase-field lattice Boltzmann study on the effects of natural convection on dendrite morphology formed during directional solidification of a binary alloy2020
- Author(s)
  Takaki Tomohiro、Sakane Shinji、Ohno Munekazu、Shibuta Yasushi、Aoki Takayuki
- Journal Title
  
  Computational Materials Science
  
  Volume: 171 Pages: 109209-109209
- DOI
  10.1016/j.commatsci.2019.109209
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01237
[Journal Article] High Performance Computing of Solidification Microstructures and Emergence of Cross-scale Approach2020
- Author(s)
  大野宗一、澁田靖、高木知弘
- Journal Title
  
  まてりあ
  
  Volume: 59 Issue: 3 Pages: 139-144
- DOI
  10.2320/materia.59.139
- ISSN
  1340-2625, 1884-5843
- Language
  Japanese
- Data Source
  KAKENHI-PROJECT-19H02486
[Journal Article] Two-dimensional large-scale phase-field lattice Boltzmann simulation of polycrystalline equiaxed solidification with motion of a massive number of dendrites2020
- Author(s)
  Sakane Shinji、Takaki Tomohiro、Ohno Munekazu、Shibuta Yasushi、Aoki Takayuki
- Journal Title
  
  Computational Materials Science
  
  Volume: 178 Pages: 109639-109639
- DOI
  10.1016/j.commatsci.2020.109639
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19H05613, KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-18J15230
[Journal Article] Large-scale phase-field simulation of three-dimensional isotropic grain growth in polycrystalline thin films2019
- Author(s)
  Miyoshi Eisuke、Takaki Tomohiro、Ohno Munekazu、Shibuta Yasushi、Sakane Shinji、Aoki Takayuki
- Journal Title
  
  Modelling and Simulation in Materials Science and Engineering
  
  Volume: 27 Pages: 054002-054002
- DOI
  10.1088/1361-651x/ab1e8b
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-17J06356
[Journal Article] Simulation method based on phase-field lattice Boltzmann model for long-distance sedimentation of single equiaxed dendrite2019
- Author(s)
  Sakane Shinji、Takaki Tomohiro、Ohno Munekazu、Shibuta Yasushi
- Journal Title
  
  Computational Materials Science
  
  Volume: 164 Pages: 39-45
- DOI
  10.1016/j.commatsci.2019.03.047
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18J15230, KAKENHI-PROJECT-17H01237
[Journal Article] Permeability prediction for flow normal to columnar solidification structures by large-scale simulations of phase-field and lattice Boltzmann methods2019
- Author(s)
  T. Takaki, S. Sakane, M. Ohno, Y. Shibuta, T. Aoki
- Journal Title
  
  Acta Materialia
  
  Volume: Vol. 164 Pages: 237-249
- DOI
  10.1016/j.actamat.2018.10.039
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26220002, KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-18J15230
[Journal Article] A parametric study of morphology selection in equiaxed dendritic solidification2019
- Author(s)
  Geunwoo Kim, Tomohiro Takaki, Yasushi Shibuta, Shinji Sakane, Kiyotaka Matsuura, Munekazu Ohno
- Journal Title
  
  Computational Materials Science
  
  Volume: 162 Pages: 76-81
- DOI
  10.1016/j.commatsci.2019.02.027
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H04541, KAKENHI-PROJECT-18J15230
[Journal Article] Estimation of Thermodynamic and Interfacial Parameters of Metallic Materials by Molecular Dynamics Simulations2019
- Author(s)
  Shibuta Yasushi
- Journal Title
  
  MATERIALS TRANSACTIONS
  
  Volume: 60 Issue: 2 Pages: 180-188
- DOI
  10.2320/matertrans.me201712
  10.2320/matertrans.ME201712
- NAID
  130007556933
- ISSN
  1345-9678, 1347-5320
- Language
  English
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16H04490
[Journal Article] Grain boundary induced deformation mechanisms in nanocrystalline Al by molecular dynamics simulation: From interatomic potential perspective2019
- Author(s)
  Zhang Liang、Shibuta Yasushi、Huang Xiaoxu、Lu Cheng、Liu Mao
- Journal Title
  
  Computational Materials Science
  
  Volume: 156 Pages: 421-433
- DOI
  10.1016/j.commatsci.2018.10.021
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17F17711
[Journal Article] Competitive growth during directional solidification of a binary alloy with natural convection: two-dimensional phase-field study2019
- Author(s)
  Takaki Tomohiro、Sakane Shinji、Ohno Munekazu、Shibuta Yasushi
- Journal Title
  
  Modelling and Simulation in Materials Science and Engineering
  
  Volume: 27 Pages: 054001-054001
- DOI
  10.1088/1361-651x/ab1a17
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01237
[Journal Article] Interaction between nano-voids and migrating grain boundary by molecular dynamics simulation2019
- Author(s)
  Zhang Liang、Shibuta Yasushi、Lu Cheng、Huang Xiaoxu
- Journal Title
  
  Acta Materialia
  
  Volume: 173 Pages: 206-224
- DOI
  10.1016/j.actamat.2019.05.020
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17F17711
[Journal Article] Acceleration of phase-field lattice Boltzmann simulation of dendrite growth with thermosolutal convection by the multi-GPUs parallel computation with multiple mesh and time step method2019
- Author(s)
  Sakane Shinji、Takaki Tomohiro、Ohno Munekazu、Shibuta Yasushi、Aoki Takayuki
- Journal Title
  
  Modelling and Simulation in Materials Science and Engineering
  
  Volume: 27 Pages: 054004-054004
- DOI
  10.1088/1361-651x/ab20b9
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-18J15230
[Journal Article] Molecular dynamics simulation of athermal heterogeneous nucleation of solidification2019
- Author(s)
  Fujinaga Takuya、Shibuta Yasushi
- Journal Title
  
  Computational Materials Science
  
  Volume: 164 Pages: 74-81
- DOI
  10.1016/j.commatsci.2019.03.061
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16H04490
[Journal Article] Advent of Cross-Scale Modeling: High-Performance Computing of Solidification and Grain Growth2018
- Author(s)
  Y. Shibuta, M. Ohno, T. Takaki
- Journal Title
  
  Advanced Theory and Simulations
  
  Volume: 1 Pages: 1800065-1800065
- DOI
  10.1002/adts.201800065
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-16H04490, KAKENHI-PROJECT-16H04541
[Journal Article] Solute partition at solid-liquid interface of binary alloy from molecular dynamics simulation2018
- Author(s)
  Ueno Kensho、Shibuta Yasushi
- Journal Title
  
  Materialia
  
  Volume: 4 Pages: 553-557
- DOI
  10.1016/j.mtla.2018.11.011
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H04490
[Journal Article] Bridging molecular dynamics and phase-field methods for grain growth prediction2018
- Author(s)
  E. Miyoshi, T. Takaki, Y. Shibuta, M. Ohno
- Journal Title
  
  Computational Materials Science
  
  Volume: 152 Pages: 118-124
- DOI
  10.1016/j.commatsci.2018.05.046
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-16H04490, KAKENHI-PROJECT-17J06356
[Journal Article] Three-dimensional morphologies of inclined equiaxed dendrites growing under forced convection by phase-field-lattice Boltzmann method2018
- Author(s)
  S. Sakane, T. Takaki, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
- Journal Title
  
  Journal of Crystal Growth
  
  Volume: Vol.483 Pages: 147-155
- DOI
  10.1016/j.jcrysgro.2017.11.029
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26220002, KAKENHI-PROJECT-17H01237
[Journal Article] Shear response of grain boundary with metastable structures by molecular dynamics simulation2018
- Author(s)
  L. Zhang, C. Lu, Y. Shibuta
- Journal Title
  
  Modelling and Simulation in Materials Science and Engineering
  
  Volume: 26 Pages: 035008-035008
- DOI
  10.1088/1361-651x/aaacaa
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17F17711
[Journal Article] Competitive grain growth during directional solidification of a polycrystalline binary alloy: Three-dimensional large-scale phase-field study2018
- Author(s)
  T. Takaki, S. Sakane, M. Ohno, Y. Shibuta, T. Aoki, C.-A. Gandin
- Journal Title
  
  Materialia
  
  Volume: Vol. 1 Pages: 104-113
- DOI
  10.1016/j.mtla.2018.05.002
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26220002, KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-18J15230
[Journal Article] Dynamic interaction between grain boundary and stacking fault tetrahedron2018
- Author(s)
  L. Zhang, C. Lu, K. Tieu, Y. Shibuta
- Journal Title
  
  Scripta Materialia
  
  Volume: 144 Pages: 78-83
- DOI
  10.1016/j.scriptamat.2017.09.027
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17F17711
[Journal Article] Correlation between three-dimensional and cross-sectional characteristics of ideal grain growth2018
- Author(s)
  E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, T. Aoki
- Journal Title
  
  Journal of Materials Science
  
  Volume: Vol. 53 Pages: 15165-15180
- DOI
  10.1007/s10853-018-2680-y
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26220002, KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-17J06356, KAKENHI-PROJECT-18J15230
[Journal Article] Grain growth kinetics in submicrometer-scale molecular dynamics simulation2018
- Author(s)
  S. Okita, E. Miyoshi, S. Sakane, T. Takaki, M. Ohno, Y. Shibuta
- Journal Title
  
  Acta Materialia
  
  Volume: 153 Pages: 108-116
- DOI
  10.1016/j.actamat.2018.04.060
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-16H04490, KAKENHI-PROJECT-17J06356, KAKENHI-PROJECT-18J15230
[Journal Article] Atomistic Simulation of the Interaction Between Point Defects and Twin Boundary2018
- Author(s)
  Zhang Liang、Shibuta Yasushi、Lu Cheng、Huang Xiaoxu
- Journal Title
  
  physica status solidi (b)
  
  Volume: 255 Pages: 1800228-1800228
- DOI
  10.1002/pssb.201800228
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17F17711
[Journal Article] Phase-field lattice Boltzmann simulations of multiple dendrite growth with motion, collision, and coalescence and subsequent grain growth2018
- Author(s)
  T. Takaki, R. Sato, R. Rojas, M. Ohno, Y. Shibuta
- Journal Title
  
  Computational Materials Science
  
  Volume: 147 Pages: 124-131
- DOI
  10.1016/j.commatsci.2018.02.004
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Journal Article] Molecular dynamics simulations investigating consecutive nucleation, solidification and grain growth in a twelve-million-atom Fe-system2017
- Author(s)
  S. Okita, W. Verestek, S. Sakane, T. Takaki, M. Ohno, Y. Shibuta
- Journal Title
  
  Journal of Crystal Growth
  
  Volume: 474 Pages: 140-145
- DOI
  10.1016/j.jcrysgro.2016.11.120
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04490
[Journal Article] Conformation and catalytic activity of nickel-carbon clusterfor ethanol dissociation in carbon nanotube synthesis: ab initio molecular dynamics simulation2017
- Author(s)
  Fukuhara Satoru、Shimojo Fuyuki、Shibuta Yasushi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 679 Pages: 164-171
- DOI
  10.1016/j.cplett.2017.04.086
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05478, KAKENHI-PROJECT-16K13622
[Journal Article] Phase-field-lattice Boltzmann studies for dendritic growth with natural convection2017
- Author(s)
  T. Takaki, R. Rojas, S. Sakane, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
- Journal Title
  
  Journal of Crystal Growth
  
  Volume: Vol.474 Pages: 146-153
- DOI
  10.1016/j.jcrysgro.2016.11.099
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26220002, KAKENHI-PROJECT-17H01237
[Journal Article] Ultra-large-scale phase-field simulation study of ideal grain growth2017
- Author(s)
  E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, T. Aoki
- Journal Title
  
  npj Computational Materials
  
  Volume: Vol.3, No.25 Pages: 25-25
- DOI
  10.1038/s41524-017-0029-8
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-26220002, KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-17J06356
[Journal Article] Numerical testing of quantitative phase-field models with different polynomials for isothermal solidification in binary alloys2017
- Author(s)
  M. Ohno, T. Takaki, Y. Shibuta
- Journal Title
  
  Journal of Computational Physics
  
  Volume: 335 Pages: 621-636
- DOI
  10.1016/j.jcp.2017.01.053
- NAID
  120006606586
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-16H04541
[Journal Article] Heterogeneity in homogeneous nucleation from billion-atom molecular dynamics simulation of solidification of pure metal2017
- Author(s)
  Y. Shibuta, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
- Journal Title
  
  Nature Communications
  
  Volume: 8 Pages: 10-10
- DOI
  10.1038/s41467-017-00017-5
- NAID
  120006220003
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-16H04490
[Journal Article] A Molecular Dynamics Study of Partitionless Solidification and Melting of Al–Cu Alloys2017
- Author(s)
  S.K. Deb Nath, Y. Shibuta, M. Ohno, T. Takaki, T. Mohri
- Journal Title
  
  ISIJ Int.
  
  Volume: 57 Issue: 10 Pages: 1774-1779
- DOI
  10.2355/isijinternational.isijint-2017-221
  10.2355/isijinternational.ISIJINT-2017-221
- NAID
  130006171618
- ISSN
  0915-1559, 1347-5460
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H04490
[Journal Article] 金属材料の組織形成および凝固プロセスに関する分子動力学2017
- Author(s)
  澁田靖
- Journal Title
  
  分子シミュレーション研究会会誌「アンサンブル」
  
  Volume: 19 Pages: 158-164
- NAID
  130007424908
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H04490
[Journal Article] Variational formulation of a quantitative phase-field model for nonisothermal solidification in a multicomponent alloy2017
- Author(s)
  M. Ohno, T. Takaki, Y. Shibuta
- Journal Title
  
  PHysical Review E
  
  Volume: 96 Pages: 033311-033311
- DOI
  10.1103/physreve.96.033311
- NAID
  120006360133
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01237, KAKENHI-PROJECT-16H04541
[Journal Article] Multi-GPUs parallel computation of dendrite growth in forced convection using the phase-field-lattice Boltzmann model2017
- Author(s)
  S. Sakane, T. Takaki, R. Rojas, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
- Journal Title
  
  Journal of Crystal Growth,
  
  Volume: 印刷中 Pages: 154-159
- DOI
  10.1016/j.jcrysgro.2016.11.103
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K20995, KAKENHI-PROJECT-26220002, KAKENHI-PROJECT-17H01237
[Journal Article] Variational formulation and numerical accuracy of a quantitative phase-field model for binary alloy solidification with two-sided diffusion2016
- Author(s)
  M. Ohno, T. Takaki, Y. Shibuta
- Journal Title
  
  Physical Review E
  
  Volume: 93
- DOI
  10.1103/physreve.93.012802
- NAID
  120005712482
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25289266
[Journal Article] Grain Growth in Large-Scale Molecular Dynamics Simulation: Linkage between Atomic Configuration and von Neumann-Mullins Relation2016
- Author(s)
  S. Okita, Y. Shibuta
- Journal Title
  
  ISIJ Int.
  
  Volume: 56 Issue: 12 Pages: 2199-2207
- DOI
  10.2355/isijinternational.isijint-2016-408
  10.2355/isijinternational.ISIJINT-2016-408
- NAID
  130005251173
- ISSN
  0915-1559, 1347-5460
- Language
  English
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-16H04490
[Journal Article] Two-dimensional phase-field study of competitive grain growth during directional solidification of polycrystalline binary alloy2016
- Author(s)
  Tomohiro Takaki, Munekazu Ohno, Yasushi Shibuta, Shinji Sakane, Takashi Shimokawabe, Takayuki Aoki
- Journal Title
  
  Journal of Crystal Growth
  
  Volume: 442 Pages: 14-24
- DOI
  10.1016/j.jcrysgro.2016.01.036
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-15K20995, KAKENHI-PROJECT-25289006, KAKENHI-PROJECT-25289266, KAKENHI-PROJECT-26220002
[Journal Article] Submicrometer-scale molecular dynamics simulation of nucleation and solidification from undercooled melt: linkage between empirical interpretation and atomistic nature2016
- Author(s)
  Y. Shibuta, S. Sakane, T. Takaki, M. Ohno
- Journal Title
  
  Acta Materialia
  
  Volume: 105 Pages: 328-337
- DOI
  10.1016/j.actamat.2015.12.033
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25289266
[Journal Article] Microsegregation in multicomponent alloy analyzed by quantitative phase-field model2015
- Author(s)
  M. Ohno, T. Takaki and Y. Shibuta
- Journal Title
  
  IOP Conf. Ser.: Mater. Sci. Eng.
  
  Volume: 84
- DOI
  10.1088/1757-899x/84/1/012075
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25289266
[Journal Article] Solidification in Supercomputer: from Crystal Nuclei to Dendrite Assemblages2015
- Author(s)
  Y. Shibuta, M. Ohno, T. Takak
- Journal Title
  
  JOM
  
  Volume: 64 Pages: 1793-1804
- DOI
  10.1007/s11837-015-1452-2
- NAID
  120005649140
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-25289006, KAKENHI-PROJECT-25289266
[Journal Article] Homogeneous nucleation and microstructure evolution in million-atom molecular dynamics simulation2015
- Author(s)
  Y. Shibuta, T. Takaki andn M. Ohno
- Journal Title
  
  Scientific Reports, 5 (2015), 13534.
  
  Volume: 5 Pages: 2374-2382
- DOI
  10.1038/srep13534
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25289266
[Journal Article] Low reactivity of methane on copper surface during graphene synthesis via CVD process: ab initio molecular dynamics simulation2014
- Author(s)
  Y. Shibuta, R. Arifin, K. Shimamura, T. Oguri, F. Shimojo, S. Yamaguchi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 610-611 Pages: 33-38
- DOI
  10.1016/j.cplett.2014.11.068
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24686026
[Journal Article] Bond dissociation mechanism of ethanol during carbon nanotube synthesis via alcohol catalytic CVD technique: ab initio molecular dynamics simulation2014
- Author(s)
  T. Oguri, K. Shimamura, Y. Shibuta, F. Shimojo, and S. Yamaguchi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 595-596 Pages: 185-191
- DOI
  10.1016/j.cplett.2014.02.002
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23340106, KAKENHI-PROJECT-24686026
[Journal Article] Million-atom molecular dynamics simulation on spontaneous evolution of anisotropy in solid nucleus during solidification of iron2014
- Author(s)
  Y. Shibuta, K. Oguchi, M. Ohno
- Journal Title
  
  Scripta Materialia
  
  Volume: 86 Pages: 20-23
- DOI
  10.1016/j.scriptamat.2014.04.021
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25289266
[Journal Article] Nanocluster dynamics in fast rate epitaxy under mesoplasma condition2013
- Author(s)
  L. W. Chen, Y. Shibuta, M. Kambara, and T. Yoshida
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 564 Pages: 47-53
- DOI
  10.1016/j.cplett.2013.02.005
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21226017, KAKENHI-PROJECT-23656143
[Journal Article] Atomistic modelling of CVD synthesis of carbon nanotubes and graphene2013
- Author(s)
  J.A. Elliott, Y. Shibuta, H. Amara, C. Bichara, E.C. Neyts
- Journal Title
  
  Nanoscale
  
  Volume: 5 Pages: 6662-6676
- DOI
  10.1039/c3nr01925j
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24686026
[Journal Article] Ab initio molecular dynamics simulation of dissociation of ethanol on nickel cluster: understanding initial stage of metal-catalyzed growth of carbon nanotubes2013
- Author(s)
  T. Oguri, K. Shimamura, Y. Shibuta, F. Shimojo
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 117 Pages: 9983-9990
- DOI
  10.1021/jp403006m
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23340106, KAKENHI-PROJECT-24686026
[Journal Article] Ab initio molecular dynamics simulation of dissociation of methane on nickel (111) surface : unravelling initial stage of graphene growth via a CVD2013
- Author(s)
  Y. Shibuta, Rizal Arfin, K. Shimamura, T. Oguri, F. Shimojo, and S. Yamaguchi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 565 Pages: 92-97
- DOI
  10.1016/j.cplett.2013.02.038
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23244106, KAKENHI-PROJECT-23340106, KAKENHI-PROJECT-24686026
[Journal Article] Nanocluster dynamics in fast rate epitaxy under mesoplasma condition2013
- Author(s)
  L.W.Chen,Y.Shibuta,M.Kambara,and T.Yoshida
- Journal Title
  
  Chem.Phys.Lett.
  
  Volume: 564 Pages: 47-53
- URL
  http://dx.doi.org/10.1016/j.cplett.2013.02.005
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21226017
[Journal Article] Phase transition of metal nanowires confined in a low-dimensional nanospace2012
- Author(s)
  Y. Shibuta
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 532 Pages: 84-89
- DOI
  10.1016/j.cplett.2012.02.048
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Molecular dynamics simulation of Si nanoclusters in high rate and low temperature epitaxy2012
- Author(s)
  L. W. Chen, Y. Shibuta, M. Kambara, and T. Yoshida
- Journal Title
  
  Journal of Applied Physics
  
  Volume: 111 Pages: 123301-123301
- DOI
  10.1063/1.4729057
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21226017, KAKENHI-PROJECT-23656143
[Journal Article] A molecular dynamics study of effects of size and cooling rate on the structure of molybdenum nanoparticles2012
- Author(s)
  Y. Shibuta
- Journal Title
  
  Journal of Thermal Science and Technology
  
  Volume: 7 Pages: 45-57
- NAID
  130002068979
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23656143
[Journal Article] Interaction between graphene and nickel(111) surfaces with commensurate and incommensurate orientational relationships2012
- Author(s)
  Y.Shibuta, J.A.Elliott
- Journal Title
  
  Chemical Physics Letters
  
  Volume: (accepted)(印刷中)(掲載確定)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] A Molecular Dynamics Study of Effects of Size and Cooling Rate on the Structure of Molybdenum Nanoparticles2012
- Author(s)
  Y. Shibuta
- Journal Title
  
  Journal of Thermal Science and Technology
  
  Volume: 7 Issue: 1 Pages: 45-57
- DOI
  10.1299/jtst.7.45
- NAID
  130002068979
- ISSN
  1880-5566
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Molecular dynamics simulation of Si nanoclusters in high rate and low temperature epitaxy2012
- Author(s)
  L.W.Chen,Y.Shibuta,M.Kambara,and T.Yoshida
- Journal Title
  
  J.Appl.Phys.
  
  Volume: 111 Pages: 123301-123306
- URL
  http://dx.doi.org/10.1063/1.4729057
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21226017
[Journal Article] Interaction between graphene and nickel(111) surfaces with commensurate and incommensurate orientational relationships2012
- Author(s)
  Y. Shibuta, J. A. Elliott
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 538 Pages: 112-117
- DOI
  10.1016/j.cplett.2012.04.048
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] A molecular dynamics study of cooling rate during solidification of metal nanoparticles2011
- Author(s)
  Y. Shibuta, T. Suzuki
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 502 Pages: 82-86
- DOI
  10.1016/j.cplett.2010.12.020
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Interaction between two graphene sheets with a turbostratic orientational relationship2011
- Author(s)
  Y. Shibuta, J. A. Elliott
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 512 Pages: 146-150
- DOI
  10.1016/j.cplett.2011.07.013
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] A numerical approach to the metal-catalyzed growth process of carbon nanotubes2011
- Author(s)
  Y. Shibuta
- Journal Title
  
  Diamond and Related Materials
  
  Volume: 20 Pages: 334-338
- DOI
  10.1016/j.diamond.2011.01.031
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Melting and solidification point of fcc-metal nanoparticles with respect to particle size : A molecular dynamics study2010
- Author(s)
  Y. Shibuta, T. Suzuki
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 498 Pages: 323-327
- DOI
  10.1016/j.cplett.2010.08.082
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Phase transition in substrate-supported molybdenum nanoparticles : a molecular dynamics study2010
- Author(s)
  Y. Shibuta, T. Suzuki
- Journal Title
  
  PCCP(Physical Chemistry Chemical Physics)
  
  Volume: 12 Pages: 731-739
- DOI
  10.1039/b919869e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Phase transition in substrate-supported molybdenum nanoparticles : a molecular dynamics study2010
- Author(s)
  Y.Shibuta, T.Suzuki
- Journal Title
  
  PCCP(Physical Chemstry Chemical Physics) 12
  
  Pages: 731-739
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Effect of wettability on phase transition in substrate-supported bcc-metal nanoparticles : a molecular dynamics study2010
- Author(s)
  Y. Shibuta, T. Suzuki
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 486 Pages: 137-143
- DOI
  10.1016/j.cplett.2009.12.082
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Effect of wettability on phase transition in substrate-supported bcc-metal nanoparticles : a molecular dynamics study2010
- Author(s)
  Y.Shibuta, T.Suzuki
- Journal Title
  
  Chemical Physics Letters 486
  
  Pages: 137-143
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Bond switching regimes in nickel and nickel-carbon nanoclusters2010
- Author(s)
  E.Neyts, Y.Shibuta, A.Bogaerts
- Journal Title
  
  Chemical Physics Letters 488
  
  Pages: 202-205
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Bond switching regimes in nickel and nickel-carbon nanoclusters2010
- Author(s)
  E. C. Neyts, Y. Shibuta, A. Bogaerts
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 488 Pages: 202-205
- DOI
  10.1016/j.cplett.2010.02.024
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] A Molecular Dynamics Study of Thermodynamic and Kinetic Properties of Solid-Liquid Interface for Bcc Iron2010
- Author(s)
  Y. Watanabe, Y. Shibuta, T. Suzuki
- Journal Title
  
  ISIJ Int.
  
  Volume: 89 Issue: 8 Pages: 1158-1164
- DOI
  10.2355/isijinternational.50.1158
- NAID
  10027723112
- ISSN
  0915-1559, 1347-5460
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Catalyzed growth of carbon nanotube with definable chirality by hybrid molecular dynamics/force biased Monte Carlo simulations2010
- Author(s)
  E. C. Neyts, Y. Shibuta, A. C. T. van Duin, A. Bogaerts
- Journal Title
  
  ACS Nano
  
  Volume: 4 Pages: 6665-6672
- DOI
  10.1021/nn102095y
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Global minima of transition metal clusters described by Finnis-Sinclair potentials : a comparison with semi-empirical molecular orbital theory2009
- Author(s)
  J.A.Elliott, Y.Shibuta, D.J.Wales
- Journal Title
  
  Philosophical Magazine 89
  
  Pages: 3311-3332
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] Energetic stability of molybdenum nanoclusters studied with basin-h opping Monte Carlo and semi-empirical quantum methods2009
- Author(s)
  J. A. Elliott, Y. Shibuta
- Journal Title
  
  Journal of Computational and Theoretical Nanoscience 6(印刷中)(掲載決定))
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] A multiscale approach for modeling the early stage growth of single and multiwall carbon nanotubes produced by a catalytic chemical vapor deposition process2009
- Author(s)
  J.A. Elliott, M. Hamm, Y. Shibuta
- Journal Title
  
  The Journal of Chemical Physics 130
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] Energetic stability of molybdenum nanoclusters studied with basin-hopping Monte Carlo and semi-empirical quantum methods2009
- Author(s)
  J.A. Elliott, Y. Shibuta
- Journal Title
  
  Journal of Computational and Theoretical Nanoscience 6(印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] Growth and melting of nanoparticles in liquid iron : a molecular dynamics study2009
- Author(s)
  Y.Shibuta, Y.Watanabe, T.Suzuki
- Journal Title
  
  Chemical Physics Letters 475
  
  Pages: 264-268
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20656036
[Journal Article] Global minima of transition metal clusters described by Finnis-Sinclair potentials : a comparison with semi-empirical molecular orbital theory2009
- Author(s)
  J. A. Elliott, Y. Shibuta, D. J. Wales
- Journal Title
  
  Philosophical Magazine
  
  Volume: 89 Pages: 3311-3332
- DOI
  10.1080/14786430903270668
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686021
[Journal Article] A multiscale approach for modeling the early stage growth of single and multiwall carbon nanotubes produced by a catalytic chemical vapor deposition process2009
- Author(s)
  J. A. Elliott, M. Hamm, Y. Shibuta
- Journal Title
  
  The Journal of Chemical Physics 130
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] 鉄の相変態および界面諸物性に対する分子論的アプローチ2009
- Author(s)
  澁田靖
- Journal Title
  
  まてりあ 48(2)
  
  Pages: 61-66
- NAID
  10024816879
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20656036
[Journal Article] Dependence of the grain boundary energy on the alloy composition in the bcc iron-chromium alloy: A molecular dynamics study2009
- Author(s)
  Y. Shibuta, S. takamoto, T. Suzuki
- Journal Title
  
  Computaitional Material Science 44
  
  Pages: 1025-1029
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20656036
[Journal Article] A molecular dynamics study of the graphitization ability of transition metals for catalysis of carbon nanotube growth via chemical vapor deposition2009
- Author(s)
  Y. Shibuta, J. A. Elliott
- Journal Title
  
  Chemical Physics Letters 472
  
  Pages: 200-206
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] A semi-empirical molecular orbital study of freestanding and fullerene-encapsulated Mo nanocluster2008
- Author(s)
  J. A. Elliott, Y. Shibuta
- Journal Title
  
  Molecular Simulation 34
  
  Pages: 891-903
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] A molecular dynamics study of the energy and structure of the symmetric tilt boundary of iron2008
- Author(s)
  Y. Shibuta, S. takamoto, T. Suzuki
- Journal Title
  
  ISIJ International 48
  
  Pages: 1582-1591
- NAID
  10027031714
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20656036
[Journal Article] A molecular dynamics study of fcc-bcc phase transformation Kinetics of iron2008
- Author(s)
  S. Tateyama, Y. Shibuta, T. Suzuki
- Journal Title
  
  Scripta Materialia 59
  
  Pages: 971-974
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20656036
[Journal Article] A molecular dynamics study of the phase transition in bcc metal nanoparticles2008
- Author(s)
  Y. Shibuta, T. Suzuki
- Journal Title
  
  The Journal of Chemical Physics 129
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] A semi-empirical molecular orbital study of freestanding and fullerene-encapsulated Monanocluster2008
- Author(s)
  J.A. Elliott, Y. Shibuta
- Journal Title
  
  Molecular Simulation 34
  
  Pages: 891-903
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] Bond-order potential for transition metal carbide cluster for the growth simulation of a single-walled carbon nanotube2007
- Author(s)
  Y. Shibuta, S. Maruyama
- Journal Title
  
  Computational Materials Science 39
  
  Pages: 842-848
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] Bond-order potential for transition metal carbide cluster for the growth simulation of a single-walled carbon nanotube2007
- Author(s)
  Yasushi Shibuta, Shigeo Maruyama
- Journal Title
  
  Computational Materials Science 39
  
  Pages: 842-848
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] Phase-field modeling for electrodeposition process2007
- Author(s)
  Y. Shibuta, Y. Okajima, T. Suzuki
- Journal Title
  
  Science and Technology of Advanced Materials 8
  
  Pages: 511518-511518
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19017005
[Journal Article] A Molecular dynamics study of the effect of a substrate on catalytic metal clusters in nucleation process of single-walled carbon nanotubes2007
- Author(s)
  Yasushi Shibuta, Shigeo Maruyama
- Journal Title
  
  Chemical Physics Letter 437
  
  Pages: 218-223
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] Melting and nucleation of iron nanoparticles: A molecular dynamics study2007
- Author(s)
  Yasushi Shibuta, Toshio Suzuki
- Journal Title
  
  Chemical Physics Letters 445
  
  Pages: 265-270
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] Melting and nucleation of iron nanoparticles: A molecular dynamics study2007
- Author(s)
  Y. Shibuta, T. Suzuki
- Journal Title
  
  Chemical Physics Letters 445
  
  Pages: 265-270
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] A Molecular dynamics study of the effect of a substrate on catalytic metal clusters in nucleation process of single-walled carbon nanotubes2007
- Author(s)
  Y. Shibuta, S. Maruyama
- Journal Title
  
  Chemical Physics Letters 437
  
  Pages: 218-223
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] A phase-field simulation of bridge formation process in a nanometer-scale switch2006
- Author(s)
  Y.Shibuta, Y.Okajima, T.Suzuki
- Journal Title
  
  Scripta Materialia 55・12
  
  Pages: 1095-1098
- Data Source
  KAKENHI-PROJECT-17041002
[Journal Article] 基板上の金属粒子からの単層カーボンナノチューブ生成の分子動力学法シミュレーション2006
- Author(s)
  澁田靖, 丸山茂夫
- Journal Title
  
  日本機械学会論文集(B編) 72巻772号
  
  Pages: 2519-2523
- NAID
  110004837215
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] A Molecular dynamics study of the carbon-catalyst interaction energy for multi-scale modelling of single wall carbon nanotube growth2006
- Author(s)
  Yasushi Shibuta, James A.Elliott
- Journal Title
  
  Chemical Physics Letter 427
  
  Pages: 365-370
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] A Molecular dynamics study of the carbon-catalyst interaction energy for multi-scale modelling of single wall carbon nanotube growt2006
- Author(s)
  Y. Shibuta, J.A. Elliott
- Journal Title
  
  Chemical Physics Letters 427
  
  Pages: 365-370
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Journal Article] 基板上の金属粒子からの単層カーボンナノチューブ生成の分子動力学法シミュレーション2006
- Author(s)
  澁田靖, 丸山茂夫
- Journal Title
  
  日本機械学会論文集(B編) 72巻
  
  Pages: 2519-2523
- NAID
  110004837215
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] Phase-field Lattice Boltzmann Simulations of Dendrite Growth with Melt Flow2020
- Author(s)
  T. Takaki, S. Sakane, M. Ohno, Y. Shibuta
- Organizer
  TMS 2020 Annual Meeting & Exhibition (TMS2020)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Bayesian Interference of Solid-liquid Interface Properties Out of Equilibrium Based on Phase-field and Molecular Dynamics Simulations2020
- Author(s)
  M. Ohno, Y. Oka, S. Sakane, T. Takaki, Y. Shibuta
- Organizer
  TMS 2020 Annual Meeting & Exhibition (TMS2020)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Multi-phase-field Modeling for Interaction of Moving Dendritic Particles2020
- Author(s)
  N. Yamanaka, T. Takaki, S. Sakane, Y. Shibuta, M. Ohno
- Organizer
  TMS 2020 Annual Meeting & Exhibition (TMS2020)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Prediction of Permeability Tensor for Columnar Dendritic Structures: Phase-field and Lattice Boltzmann Simulations2020
- Author(s)
  Y. Mitsuyama, T. Takaki, S. Sakane, Y. Shibuta, M. Ohno
- Organizer
  TMS 2020 Annual Meeting & Exhibition (TMS2020)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] AMR法を適用したphase-fieldデンドライト凝固計算の複数GPU並列化2019
- Author(s)
  坂根慎治, 高木知弘, 大野宗一, 澁田靖, 青木尊之
- Organizer
  第24回計算工学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Permeability prediction in any direction of columnar dendrite by phase-field and lattice Boltzmann methods2019
- Author(s)
  Y. Mitsuyama, T. Takaki, S. Sakane, M. Ohno, Y. Shibuta
- Organizer
  5th International Conference on Advances in Solidification Processes (ICASP-5) & 5th International Symposium on Cutting Edge of Computer Simulation of Solidification, Casting and Refining (CSSCR-5)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 優先成長方位の遷移に伴う一向凝固組織の形態変化のフェーズフィールド・シミュレーション2019
- Author(s)
  金根佑, 高木知弘、坂根慎治、澁田靖、松浦清隆、大野宗一
- Organizer
  日本金属学会 2019年春期（第164回）講演大会
- Data Source
  KAKENHI-PROJECT-16H04541
[Presentation] データ同化に基づいた固液界面エネルギーと液相内熱拡散率の同時推定2019
- Author(s)
  岡　ゆきみ, 澁田　靖, 高木　知弘, 大野　宗一
- Organizer
  日本鉄鋼協会第178回秋季講演大会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Multi-GPU acceleration of three-dimensional phase-filed computation for dendrite growth with thermal-solutal convection2019
- Author(s)
  S. Sakane, T. Takaki, M. Ohno, Y. Shibuta, T. Aoki
- Organizer
  5th International Conference on Advances in Solidification Processes (ICASP-5) & 5th International Symposium on Cutting Edge of Computer Simulation of Solidification, Casting and Refining (CSSCR-5)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Large-scale multi-phase-field simulations of anisotropic grain growth-Effects of misorientation-dependent boundary energy and mobility2019
- Author(s)
  E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Aoki
- Organizer
  The 4th International Symposium on Phase-Field Modelling in Materials Science (PF-19)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 柱状デンドライト構造に平行な流れの透過率予測2019
- Author(s)
  光山　容正, 高木　知弘, 坂根慎治, 澁田靖, 大野宗一
- Organizer
  日本金属学会2019年秋季(165回)講演大会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Large-scale multi-phase-field simulation of polycrystalline grain growth with anisotropic grain boundary properties2019
- Author(s)
  E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Aoki
- Organizer
  5th International Conference on Advances in Solidification Processes (ICASP-5) & 5th International Symposium on Cutting Edge of Computer Simulation of Solidification, Casting and Refining (CSSCR-5)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 等軸晶形成のphase-fieldモデリングと2次元大規模シミュレーション2019
- Author(s)
  高木　知弘, 坂根　慎治, 佐藤　遼太郎, 大野　宗一, 澁田　靖, 青木　尊之
- Organizer
  日本鉄鋼協会第177回春季講演大会, 材料とプロセス
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Investigation of a Method for Estimating Grain Boundary Properties by Data Assimilation Using Molecular Dynamics and Phase-Field Methods2019
- Author(s)
  T. Fukushima, E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta
- Organizer
  Asian Pacific Congress on Computational Mechanics (APCOM)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Solid-liquid interfacial properties estimated from phase-field and molecular dynamics simulations2019
- Author(s)
  M. Ohno, Y. Oka, S. Shibuta, T. Takaki
- Organizer
  The 4th International Symposium on Phase-Field Modelling in Materials Science (PF-19)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Al-3mass%Cu 合金における一次デンドライトアーム間隔の成長速度依存性の計算2019
- Author(s)
  Jaehoon　Lee, 高木　知弘, 澁田　靖, 松浦　清隆, 大野　宗一
- Organizer
  日本金属学会2019年春季(164回)講演大会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 運動を伴うデンドライト成長phase-fieldモデルへのdouble-obstacleポテンシャルの適用2019
- Author(s)
  高木知弘, 坂根慎治, 大野宗一, 澁田靖
- Organizer
  第24回計算工学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 超大規模分子動力学法シミュレーョンによる核生成・凝固粒長過程の統一的理解2019
- Author(s)
  澁田靖, 大喜多慎, 大野宗一, 三好英輔, 坂根慎治, 高木知弘
- Organizer
  日本鉄鋼協会第177回春季講演大会, 材料とプロセス
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Multi-Phase-Field Simulation of Mobile Dendrites in a Liquid Flow2019
- Author(s)
  N. Yamanaka, T. Takaki, S. Sakane, M. Ohno, Y. Shibuta
- Organizer
  Asian Pacific Congress on Computational Mechanics (APCOM)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 超大規模分子動力学法シミュレーションによる核生成・凝固・粒成長過程の統一的理解2019
- Author(s)
  澁田靖・大喜多慎・三好英輔・坂根慎治・高木知弘・大野宗一
- Organizer
  日本鉄鋼協会第177回春季講演大会
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Estimation of anisotropic grain boundary properties through data assimilation for molecular dynamics and phase-field simulations2019
- Author(s)
  E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta
- Organizer
  7th International Conference on Recrystallization and Grain Growth (Rex&GG)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Multi-GPUs parallelization for AMR-phase-field simulation of dendrite growth2019
- Author(s)
  S. Sakane, T. Takaki, M. Ohno, Y. Shibuta, T. Aoki
- Organizer
  The 4th International Symposium on Phase-Field Modelling in Materials Science (PF-19)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Estimation of properties of solid-liquid interface based on data assimilation2019
- Author(s)
  Y. Oka, T. Takaki, Y. Shibuta, M. Ohno
- Organizer
  5th International Conference on Advances in Solidification Processes (ICASP-5) & 5th International Symposium on Cutting Edge of Computer Simulation of Solidification, Casting and Refining (CSSCR-5)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] データ同化に基づく金属の凝固における固液界面物性値の推定2019
- Author(s)
  岡　ゆきみ, 澁田　靖, 高木　知弘, 大野　宗一, 松浦　清隆
- Organizer
  日本鉄鋼協会第177回春季講演大会, 材料とプロセス
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Effects of Misorientation-Dependent Grain Boundary Properties on Grain Growth: Large-Scale Phase-Field Simulations and Analysis2019
- Author(s)
  E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Aoki
- Organizer
  Asian Pacific Congress on Computational Mechanics (APCOM)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] AMR Implementation for Multi-GPUs Parallel Computing of Phase-field Lattice Boltzmann Method of Dendrite Growth with Melt Convection2019
- Author(s)
  S. Sakane, T. Takaki, M. Ohno, Y. Shibuta, T. Aoki
- Organizer
  Asian Pacific Congress on Computational Mechanics (APCOM)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Evaluation of Permeability Tensor for Columnar Dendrite by Phase-field and Lattice Boltzmann Methods2019
- Author(s)
  Y. Mitsuyama, T. Takaki, S. Sakane, M. Ohno, Y. Shibuta
- Organizer
  Asian Pacific Congress on Computational Mechanics (APCOM)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 液相流動と固体運動を伴うデンドライト成長の複数GPU並列AMR phase-field計算2019
- Author(s)
  坂根　慎治, 高木　知弘, 大野宗一, 澁田靖, 青木尊之
- Organizer
  日本機械学会第32回計算力学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Multi-phase-field lattice Boltzmann simulations during formation process of equiaxed structure considering dendrite motion2019
- Author(s)
  T. Takaki, S. Sakane, M. Ohno, Y. Shibuta
- Organizer
  5th International Conference on Advances in Solidification Processes (ICASP-5) & 5th International Symposium on Cutting Edge of Computer Simulation of Solidification, Casting and Refining (CSSCR-5)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 分子動力学法とphase-field法を用いたデータ同化による粒界物性評価法の検討2019
- Author(s)
  福島拓実, 三好英輔, 高木知弘, 大野宗一, 澁田靖
- Organizer
  第24回計算工学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Multi-phase-field lattice Boltzmann simulations from dendrite growth with motion to grain growth2019
- Author(s)
  T. Takaki, S. Sakane, M. Ohno, Y. Shibuta
- Organizer
  7th International Conference on Recrystallization and Grain Growth (Rex&GG)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Solid-liquid interfacial properties estimated from phase-field and molecular dynamics simulations2019
- Author(s)
  M. Ohno, Y. Oka, T. Takaki, S. Sakane, Y. Shibuta
- Organizer
  The 4th International Symposium on Phase-Field Modelling in Materials Science (PF19)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H02486
[Presentation] 過冷却Ni相の分子動力学シミュレーションにおける12回対称準結晶の形成2018
- Author(s)
  澁田靖・折原駿介・大喜多慎・阿部英司
- Organizer
  日本物理学会　第73回年次大会
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Statistical behavior of ideal grain growth: an ultra-large-scale phase-field simulation study2018
- Author(s)
  E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, T. Aoki
- Organizer
  TMS 2018 Annual Meeting & Exhibition (TMS2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Molecular dynamics approach to solidification microstructure2018
- Author(s)
  Y. Shibuta, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
- Organizer
  CDSM2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Solidification microstructure formation by phase-field simulation with multi-GPU acceleration2018
- Author(s)
  T. Takaki, S. Sakane, M. Ohno, Y. Shibuta, T. Aoki
- Organizer
  The 9th International Conference on Multiscale Materials Modeling (MMM2018)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 粒成長過程における断面・立体組織特性の相関：大規模phase-field計算による研究2018
- Author(s)
  三好　英輔, 高木　知弘, 大野宗一, 澁田靖, 坂根慎治, 下川辺隆史, 青木尊之
- Organizer
  日本鉄鋼協会・日本金属学会関西支部鉄鋼プロセス研究会・材料化学研究会平成30年度第2回合同研究会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 大規模phase-field計算による多結晶二元合金一方向凝固過程の競合成長挙動評価2018
- Author(s)
  高木知弘, 坂根慎治, 大野宗一, 澁田靖, 青木尊之
- Organizer
  日本鉄鋼協会第175回春季講演大会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] High-performance phase-field lattice Boltzmann modelling and simulation of multiple dendrite growth with motion2018
- Author(s)
  T. Takaki, S. Sakane, M. Ohno, Y. Shibuta
- Organizer
  55th Annual Technical Meeting of the Society of Engineering Sciences (SES)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 熱溶質対流を伴う二元合金凝固phase-fieldシミュレーションの複数GPU並列化2018
- Author(s)
  坂根慎治, 高木知弘, 大野宗一, 澁田靖, 青木尊之
- Organizer
  日本計算工学会第23回計算工学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Parameter estimation in solidification processes of metals based on data assimilation2018
- Author(s)
  Y. Oka, M. Ohno, T. Takaki, Y. Shibuta, K. Matsuura
- Organizer
  55th Annual Technical Meeting of the Society of Engineering Sciences (SES)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Microstructure formation in large-scale molecular dynamics simulation2018
- Author(s)
  Y. Shibuta, S. Okita, S. Sakane, E. Miyoshi, T. Takaki, M. Ohno
- Organizer
  The 9th International Conference on Multiscale Materials Modeling (MMM2018)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Accuracy evaluation of phase-field grain growth models with different functional forms2018
- Author(s)
  E. Miyoshi, T. Takaki, Y. Shibuta, M. Ohno
- Organizer
  55th Annual Technical Meeting of the Society of Engineering Sciences (SES)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Permeability prediction for 3D dendrites structure by large-scale phase-field lattice Boltzmann simulation2018
- Author(s)
  T. Takaki, S. Sakane, M. Ohno, Y. Shibuta, T. Aoki
- Organizer
  4th International Congress on 3D Materials Science (3DMS 2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Microstructure formation in large-scale molecular dynamics simulation2018
- Author(s)
  Y. Shibuta, S. Okita, S. Sakane, E. Miyoshi, T. Takaki, M. Ohno
- Organizer
  MMM2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Ni過冷融液からの均質核生成・組織生成過程の分子動力学シミュレーション2018
- Author(s)
  折原駿介・澁田靖
- Organizer
  日本金属学会 2018年秋期講演大会
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Molecular dynamics approach to solidification microstructure2018
- Author(s)
  Y. Shibuta, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
- Organizer
  TMS 2018 Annual Meeting & Exhibition (TMS2018)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Molecular dynamics simulation of interaction between grain boundary and point defects2018
- Author(s)
  L. Zhang, Y. Shibuta, C. Lu
- Organizer
  MMM2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17F17711
[Presentation] 各種multi-phase-fieldモデルによる結晶粒成長シミュレーションの精度評価2018
- Author(s)
  三好英輔, 高木知弘, 大野宗一, 澁田靖
- Organizer
  日本機械学会第31回計算力学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Permeability prediction of dendrite structure by large-scale phase-field lattice Boltzmann simulation2018
- Author(s)
  T. Takaki, S. Sakane, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
- Organizer
  TMS 2018 Annual Meeting & Exhibition (TMS2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 液相流動と固体運動を伴う多結晶デンドライト凝固の2D PF-LBMシミュレーション2018
- Author(s)
  高木知弘, 佐藤遼太郎, 坂根慎治, 大野宗一, 澁田靖
- Organizer
  日本計算工学会第23回計算工学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Large-scale phase-field simulation of 3D Ideal grain growth: testing the mean-field theory and stereological analysis2018
- Author(s)
  E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, T. Aoki
- Organizer
  4th International Congress on 3D Materials Science (3DMS 2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Direct mapping from molecular dynamics to phase-field simulations for accurate prediction of grain growth2018
- Author(s)
  E. Miyoshi, T. Takaki, Y. Shibuta, M. Ohno
- Organizer
  The 13th World Congress in Computational Mechanics (WCCM 2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Parallel GPU Phase-Field Simulations of Dendrite Competitive Growth2018
- Author(s)
  T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, and T. Aoki
- Organizer
  18th SIAM Conference on Parallel Processing for Scientific Computing (PP18)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Multi-GPU phase-field simulation of growth, motion and collision of multiple dendrites2018
- Author(s)
  S. Sakane, T. Takaki, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
- Organizer
  TMS 2018 Annual Meeting & Exhibition (TMS2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 破断と運動を伴うデンドライト成長の2D phase-field格子ボルツマン計算2018
- Author(s)
  高木知弘, 坂根慎治, 佐藤遼太郎, 大野宗一, 澁田靖
- Organizer
  日本機械学会第31回計算力学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Three-dimensional phase-field simulations during directional solidification of a binary alloy considering thermal-solutal convection2018
- Author(s)
  S. Sakane, T. Takaki, M. Ohno, Y. Shibuta, T. Aoki
- Organizer
  The 13th World Congress in Computational Mechanics (WCCM 2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Quantitative phase-field modelling and simulations of alloy solidification with two-sided asymmetric diffusion2018
- Author(s)
  M. Ohno, T. Takaki and Y. Shibuta
- Organizer
  55th Annual Technical Meeting of the Society of Engineering Science (SES 2018)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04541
[Presentation] Direct mapping from molecular dynamics to phase-field simulations for accurate prediction of grain growth2018
- Author(s)
  E. Miyoshi, T. Takaki, Y. Shibuta, M. Ohno
- Organizer
  The 9th International Conference on Multiscale Materials Modeling (MMM2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] データ同化に基づいた金属の凝固における固液界面エネルギーの推定2018
- Author(s)
  岡ゆきみ, 澁田靖, 高木知弘, 大野宗一
- Organizer
  日本鉄鋼協会第176回秋季講演大会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 分子動力学法シミュレーションによるAl過冷融液からの不均質核生成2018
- Author(s)
  藤永拓也・澁田靖
- Organizer
  日本金属学会 2018年秋期講演大会
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Phase-field simulation for morphological change of solidification structure with transition in preferred growth orientation2018
- Author(s)
  G. Kim, M. Ohno, T. Takaki, Y. Shibuta and K. Matsuura
- Organizer
  55th Annual Technical Meeting of the Society of Engineering Science (SES 2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04541
[Presentation] Atomistic simulation of grain boundary behaviors in nano-structured metals2018
- Author(s)
  L. Zhang, Y. Shibuta, C. Lu
- Organizer
  MSE2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17F17711
[Presentation] Parameter estimation during solidification of metals based on data assimilation2018
- Author(s)
  Y. Oka, M. Ohno, T. Takaki, Y. Shibuta, K. Matsuura
- Organizer
  The 13th World Congress in Computational Mechanics (WCCM 2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 分子動力学法からPhase-Field法へのダイレクトマッピングによる多結晶粒成長予測の高精度化2018
- Author(s)
  三好英輔，高木知弘，澁田靖，大野宗一
- Organizer
  第3回マルチスケール材料力学シンポジウム（日本材料学会第67期通常総会・学術講演会）
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Multi-GPU large-scale phase-field lattice Boltzmann simulation of dendrite growth with thermos-solutal convection2018
- Author(s)
  S. Sakane, T. Takaki, M. Ohno, Y. Shibuta, T. Aoki
- Organizer
  The 9th International Conference on Multiscale Materials Modeling (MMM2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Phase-field法と格子ボルツマン法による柱状デンドライト垂直流れの透過率評価2018
- Author(s)
  高木知弘, 坂根慎治, 大野宗一, 澁田靖, 青木尊之
- Organizer
  日本鉄鋼協会第176回秋季講演大会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Variational Forumulation of a Quantitative Phase-field Model for Non-isothermal Solidification in Multi-component Alloys and its Applications2018
- Author(s)
  M. Ohno, T. Takaki, Y. Shibuta
- Organizer
  TMS 147th Annual Meeting & Exhibition, TMS2018
- Data Source
  KAKENHI-PROJECT-16H04541
[Presentation] Multi-phase-field lattice Boltzmann modeling and simulation of equiaxed structure2018
- Author(s)
  R. Sato, T. Takaki, S. Sakane, M. Ohno, Y. Shibuta
- Organizer
  The 9th International Conference on Multiscale Materials Modeling (MMM2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Variational formulation of a quantitative phase-field model for non-isothermal solidification in multi-component alloys and its applications2018
- Author(s)
  M. Ohno, T. Takaki, Y. Shibuta
- Organizer
  TMS 2018 Annual Meeting & Exhibition (TMS2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 分子動力学法シミュレーションによるFe-Cr合金固液界面物性の導出2018
- Author(s)
  上野健祥・澁田靖
- Organizer
  日本鉄鋼協会第176回秋季講演大会
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] 定量的フェーズフィールド・モデリングの進展と高温物性値の推定2017
- Author(s)
  大野宗一、澁田靖、高木知弘
- Organizer
  ポスト「京」重点課題(7)サブ課題E「高信頼性構造材料」　H29年度第一回研究会
- Data Source
  KAKENHI-PROJECT-16H04541
[Presentation] Molecular dynamics approach to nucleation and solidification2017
- Author(s)
  Y. Shibuta, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
- Organizer
  10th Pacific Rim International Conference on Modeling of Casting and Solidification Processes (MCSP2017)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Phase-field study on the comparison of grain growth microstructures from three-dimensional and cross-sectional observations2017
- Author(s)
  E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, T. Aoki
- Organizer
  10th Pacific Rim International Conference on Modeling of Casting and Solidification Processes (MCSP2017)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 粒成長停滞機構解明に向けた超大規模分子動力学法シミュレーション2017
- Author(s)
  大喜多慎・澁田靖
- Organizer
  日本鉄鋼協会第174回秋季講演大会
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] 大規模phase-fieldシミュレーションの現状2017
- Author(s)
  高木知弘, 大野宗一, 澁田靖, 坂根慎治, 三好英輔, 下川辺隆史, 青木尊之
- Organizer
  日本機械学会第30回計算力学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 大規模3D multi-phase-field計算に基づく2D断面上の粒成長挙動評価2017
- Author(s)
  三好英輔, 高木知弘, 大野宗一, 澁田靖, 坂根慎治, 下川辺隆史, 青木尊之
- Organizer
  第22回計算工学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Fe触媒表面におけるCO分子解離反応の第一原理分子動力学解析2017
- Author(s)
  福原智・三澤賢明・下條冬樹・澁田靖
- Organizer
  日本金属学会 2017年秋期講演大会
- Data Source
  KAKENHI-PROJECT-16K13622
[Presentation] 断面観察からの立体的結晶粒組織の推定に関するPhase-Field法による研究2017
- Author(s)
  三好英輔, 高木知弘, 大野宗一, 澁田靖, 坂根慎治, 青木尊之
- Organizer
  日本鉄鋼協会第174回秋期講演大会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Very large scale molecular dynamics simulation of solidification2017
- Author(s)
  Y. Shibuta, S. Sakane, E. Miyoshi, S. Okita, T, Takaki, M. Ohno
- Organizer
  6th Decennial International Conference on Solidification Processing (SP17)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Molecular dynamics approach to nucleation and solidification2017
- Author(s)
  Y. Shibuta, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
- Organizer
  MCSP2017
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Very large scale molecular dynamics simulation of solidification2017
- Author(s)
  Y. Shibuta, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
- Organizer
  SP17 (6th Decennial International Conference on Solidification Processing)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] 成依存性－大規模分子動力学の現状と展望－2017
- Author(s)
  澁田靖
- Organizer
  日本鉄鋼協会第173回春季講演大会
- Place of Presentation
  首都大学東京(東京都・八王子市)
- Year and Date
  2017-03-15
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Multi-phase-field-lattice Boltzmann model for polycrystalline solidification with melt convection2017
- Author(s)
  T. Takaki, R. Rojas, S. Sakane, M. Ohno, Y. Shibuta
- Organizer
  IACM 19th International Conference on Finite Elements in Flow Problems (FEF 2017)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Influence of forced flow on the oriented equiaxed dendrititic growth: large-scale phase-field study2017
- Author(s)
  S. Sakane, T. Takaki, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
- Organizer
  10th Pacific Rim International Conference on Modeling of Casting and Solidification Processes (MCSP2017)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Large-scale Phase-field Simulations for Dendrite Solidification on a Supercomputer2017
- Author(s)
  T. Takaki, M. Ohno, Y. Shibuta
- Organizer
  6th Decennial International Conference on Solidification Processing (SP17)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 「Quantitative phase-field modelling for alloy solidification and its applications2017
- Author(s)
  M. Ohno, T. Takaki and Y. Shibuta
- Organizer
  The 10th Pacific Rim International Conference on Modeling of Casting and Solidification Processes (MCSP 2017)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04541
[Presentation] 2D and 3D phase-field lattice Boltzmann simulations during directional solidification of a binary alloy with natural convection2017
- Author(s)
  T. Takaki, S. Sakane, M. Ohno, Y. Shibuta, T. Shimokawabe, and T. Aoki
- Organizer
  10th Pacific Rim International Conference on Modeling of Casting and Solidification Processes (MCSP2017)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 自然対流を伴う二元合金一方向凝固のphase-fieldシミュレーション2017
- Author(s)
  高木知弘, 坂根慎治, 大野宗一, 澁田靖, 下川辺隆史, 青木尊之
- Organizer
  第22回計算工学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Quantitative phase-field modelling for alloy solidification and its applications2017
- Author(s)
  M. Ohno, T. Takaki, Y. Shibuta
- Organizer
  10th Pacific Rim International Conference on Modeling of Casting and Solidification Processes (MCSP2017)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 組織形成・凝固に係る分子動力学研究の確立2017
- Author(s)
  澁田靖
- Organizer
  日本金属学会 2017年春期大会
- Place of Presentation
  首都大学東京(東京都・八王子市)
- Year and Date
  2017-03-15
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] 分子動力学計算による生成組織を初期構造としたMulti-Phase-Field粒成長計算2017
- Author(s)
  三好英輔, 高木知弘, 澁田靖, 大野宗
- Organizer
  日本機械学会第30回計算力学講演会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Quantitative phase-field model coupled with lattice Boltzmann method for simulations of practical alloy systems2017
- Author(s)
  M. Ohno, T. Takaki, Y. Shibuta
- Organizer
  IACM 19th International Conference on Finite Elements in Flow Problems (FEF 2017)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] 3D大規模Phase-field格子ボルツマン計算によるデンドライト一方向凝固組織に及ぼす自然対流の影響評価2017
- Author(s)
  高木知弘, 坂根慎治, 大野宗一, 澁田靖, 下川辺隆史, 青木尊
- Organizer
  日本鉄鋼協会第174回秋期講演大会
- Data Source
  KAKENHI-PROJECT-17H01237
[Presentation] Heterogeneity in homogeneous nucleation from billion-atom molecular dynamics simulation by multi-GPUs parallel computation2017
- Author(s)
  Y. Shibuta, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
- Organizer
  2017 MRS Fall Meeting & Exhibit
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Quantitative phase-field modeling and simulations of competitive growth of dendrites in alloy systems2016
- Author(s)
  M. Ohno, T. Takaki and Y. Shibuta
- Organizer
  17th International Conference in Asia, IUMRS-ICA 2016
- Place of Presentation
  Qingdao International Convention Center, Qingdao, China
- Year and Date
  2016-10-20
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04541
[Presentation] Solidification in GPU supercomputer: linkage between atomistic and continuum scales2016
- Author(s)
  Y. Shibuta, M. Ohno, T. Takaki
- Organizer
  CALPHAD XLV
- Place of Presentation
  淡路夢舞台(兵庫県・淡路市)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Quantitative Phase-Field Simulations of Solidification Microstructures in Alloy Systems2016
- Author(s)
  M. Ohno, T. Takaki, Y. Shibuta
- Organizer
  The 9th Pacific Rim International Congress on advanced Materials and processing (PRICM 9)
- Place of Presentation
  Kyoto International Conference Center, Kyoto, Japan
- Year and Date
  2016-08-03
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04541
[Presentation] 大規模分子動力学から見る凝固組織生成2016
- Author(s)
  澁田靖・大喜多慎・坂根慎治・高木知弘・大野宗一
- Organizer
  日本鉄鋼協会第172回秋季講演大会
- Place of Presentation
  大阪大学（大阪府・豊中市）
- Year and Date
  2016-09-20
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] 超大規模分子動力学法シミュレーションによる粒成長過程解析2016
- Author(s)
  大喜多慎・澁田靖
- Organizer
  日本鉄鋼協会第172回秋季講演大会
- Place of Presentation
  大阪大学（大阪府・豊中市）
- Year and Date
  2016-09-20
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Large-scale molecular dynamics simulation of solidification and grain growth2016
- Author(s)
  Y. Shibuta, S. Okita, S. Sakane, T. Takaki, M. Ohno
- Organizer
  CSSCR2016
- Place of Presentation
  Xi'an （China）
- Year and Date
  2016-05-11
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Ab initio molecular dynamics study of dissociation of ethanol on nickel carbon cluster　in metal-catalyzed growth of carbon nanotubes2016
- Author(s)
  S. Fukuhara, F. Shimojo, Y. Shibuta
- Organizer
  NT16
- Place of Presentation
  Vienna (Austria)
- Year and Date
  2016-08-07
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K13622
[Presentation] カーボンナノチューブ生成触媒としてのNi-C微粒子機能評価 - 第一原理分子動力学の視点から -2016
- Author(s)
  福原智・下條冬樹・澁田靖
- Organizer
  日本金属学会 2016年秋期大会
- Place of Presentation
  大阪大学（大阪府・豊中市）
- Year and Date
  2016-09-20
- Data Source
  KAKENHI-PROJECT-16K13622
[Presentation] Atomic nature in solidification and grain growth by large-scale molecular dynamics simulation on GPU supercomputer2016
- Author(s)
  Y. Shibuta, S. Okita, S. Sakane, T. Takaki, M. Ohno
- Organizer
  by large-scale molecular dynamics simulation on GPU supercomputer
- Place of Presentation
  Boston （USA）
- Year and Date
  2016-11-27
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Quantitative phase-field modeling and its application to investigation of dendritc growth in alloys2016
- Author(s)
  M. Ohno, T. Takaki, Y. Shibuta
- Organizer
  Symposium on Simulation of Phase Transformation and Microstructure Evolution of Materials
- Place of Presentation
  Korea Institute of Materials Science(KIMS), Korea
- Year and Date
  2016-03-31
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25289266
[Presentation] Discussion on solidification and microstructure evolution from atomistic point of view: large-scale molecular dynamics simulations2016
- Author(s)
  Y. Shibuta, S. Sakane, T. Takaki, M. Ohno
- Organizer
  PRICM9
- Place of Presentation
  京都国際会館（京都府・京都市）
- Year and Date
  2016-08-01
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H04490
[Presentation] Microsegregation in multicomponent alloys analysed by quantitative phase-field model2015
- Author(s)
  M. Ohno, T. Takaki, Y. Shibuta
- Organizer
  Modeling of Casting, Welding and Advanced Solidification Processes (MCWASP XIV 2015)
- Place of Presentation
  Awaji Yumebutai International Conference Center, Japan
- Year and Date
  2015-06-21
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25289266
[Presentation] Quantitatie phase-field simulations for microstructural evolution processes in carbon steels2015
- Author(s)
  M. Ohno, Y. Shibuta, T. Takaki
- Organizer
  3rd International Workshops on Advances in Computational Mechanics (IWACOM-III)
- Place of Presentation
  KFC Hall, Tokyo, Japan
- Year and Date
  2015-10-14
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25289266
[Presentation] Quantitative phase-field modelling for solidification with coupled heat and solute2015
- Author(s)
  M. Ohno, T. Takaki and Y. Shibuta
- Organizer
  VI International Conference on Computational Methods for 　Coupled Problems in Science and Engineering, COUPLED PROBLEM 2015
- Place of Presentation
  San Sevolo, Venice, Italy
- Year and Date
  2015-05-18
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25289266
[Presentation] Role of catalytic metals on formation process of carbon nanotube and graphene: ab initio molecular dynamics study2014
- Author(s)
  Y. Shibuta, K. Shimamura, T. Oguri, R. Arifin, W. Hashizume, F. Shimojo, S. Yamaguchi
- Organizer
  APS March Meeting 2014
- Place of Presentation
  Corolado Convention Center, Denver, USA
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] Ab initio molecular dynamics study of dissociation of ethanol on nickel cluster in metal-catalyzed growth of carbon nanotubes2013
- Author(s)
  T. Oguri, K. Shimamura, Y. Shibuta, F. Shimojo, S. Yamaguchi
- Organizer
  NT13
- Place of Presentation
  Aalto University, Espoo, Finland
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] Understanding initial dissociation of carbon source molecules on metal surface during CVD growth of graphene: ab initio molecular dynamics simulation2013
- Author(s)
  Y. Shibuta, R. Arifin, K. Shimamura, T. Oguri, F. Shimojo, S. Yamaguchi
- Organizer
  2013 MRS Fall Meeting
- Place of Presentation
  Hynes Convention Center, Boston, USA
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] Ab initio molecular dynamics study of dissociation of methane on nickel surface in graphene synthesis via a CVD technique2013
- Author(s)
  Y. Shibuta, R. Arifin, K. Shimamura, T. Oguri, F. Shimojo, S. Yamaguchi
- Organizer
  NT13
- Place of Presentation
  Aalto University, Espoo, Finland
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] Unraveling dissociation of ethanol molecules in initial stage of carbon nanotubes growth via an ACCVD technique :ab initio molecular dynamics simulation2013
- Author(s)
  T. Oguri, K. Shimamura, Y. Shibuta, F. Shimojo, S. Yamaguchi
- Organizer
  2013 MRS Fall Meeting
- Place of Presentation
  Hynes Convention Center, Boston, USA
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] 大規模分子動力学法による凝固核異方性発現過程の解析2013
- Author(s)
  澁田　靖
- Organizer
  日本鉄鋼協会第166会秋季講演大会
- Place of Presentation
  金沢大学（金沢市）
- Data Source
  KAKENHI-PROJECT-25289266
[Presentation] グラフェン生成初期段階における炭素源分子解離過程の第一原理分子動力学法シミュレーション2013
- Author(s)
  澁田靖・Arifin Rizal・島村孝平・小栗知也・下條冬樹・山口周
- Organizer
  日本機械学会第26回計算力学講演会
- Place of Presentation
  佐賀大学，佐賀
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] カーボンナノチューブ生成初期過程における炭素源分子の解離機構解明：第一原理分子動力学法シミュレーション2013
- Author(s)
  小栗知也・島村孝平・澁田靖・下條冬樹・山口周
- Organizer
  日本機械学会第26回計算力学講演会
- Place of Presentation
  佐賀大学，佐賀
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] Ab initio molecular dynamics study on the role of nickel cluster as catalytic metalin carbon nanotubes synthesis2013
- Author(s)
  T. Oguri, K. Shimamura, Y. Shibuta, F. Shimojo, S. Yamaguchi
- Organizer
  CCTN13
- Place of Presentation
  Tallink Spa & Conference hotel, Tallinn, Estonia
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] Understanding initial dissociation process of carbon source molecules during nanotubesand graphene synthesis: Ab initio molecular dynamics simulations2013
- Author(s)
  Y. Shibuta*, K. Shimamura, T. Oguri, R. Arifin, W. Hashizume, F. Shimojo, S. Yamaguchi
- Organizer
  CCTN13
- Place of Presentation
  Tallink Spa & Conference hotel, Tallinn, Estonia
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] Ab initio molecular dynamics study of dissociation of ethanol molecules on the nickel cluster in initial stage of carbon nanotubes growth2013
- Author(s)
  T. Oguri, K. Shimamura, Y. Shibuta, F. Shimojo, S. Yamaguchi
- Organizer
  JCREN2013
- Place of Presentation
  広島大学，広島
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] Understanding phase transformation in metal nanoparticles from atomic viewpoint2012
- Author(s)
  Y. Shibuta
- Organizer
  ICEAN-2012
- Place of Presentation
  Brisbane, Australia(invited)
- Year and Date
  2012-10-12
- Data Source
  KAKENHI-PROJECT-23656143
[Presentation] Nanocluster dynamic simulation during high rate epitaxial deposition under mesoplasma condition2012
- Author(s)
  L.-W. Chen, Y. Shibuta, M. Kambara, T. Yoshida
- Organizer
  11th APCPST + 25th SPSM
- Place of Presentation
  Kyoto,Japan.
- Data Source
  KAKENHI-PROJECT-23656143
[Presentation] Numerical approach to the role of metal atoms during carbon nanotube growth2012
- Author(s)
  Y. Shibuta
- Organizer
  IUMRS-ICYRAM 2012
- Place of Presentation
  Biopolis Shared Facilities, Singapore(Invited lecture)
- Year and Date
  2012-07-02
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] Nanocluster dynamic simulation during high rate epitaxial deposition under mesoplasma condition2012
- Author(s)
  L. W. Chen, Y. Shibuta, M. Kambara, and T. Yoshida
- Organizer
  11th APCPST&25th SPSM
- Place of Presentation
  Kyoto,Kyoto University ROHM plaza
- Data Source
  KAKENHI-PROJECT-21226017
[Presentation] Nanocluster dynamic simulation during high rate epitaxial deposition under mesoplasma condition2012
- Author(s)
  L.-W. Chen, Y. Shibuta, M. Kambara, T. Yoshida
- Organizer
  11th APCPST + 25th SPSM
- Place of Presentation
  京都大学
- Data Source
  KAKENHI-PROJECT-23656143
[Presentation] Interaction between two graphene sheets with a turbostratic orientational relationship2011
- Author(s)
  Y. Shibuta, J. A. Elliott
- Organizer
  NT2011
- Place of Presentation
  Cambridge, UK
- Year and Date
  2011-07-13
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] Molecular dynamics study of nanoclusters' role in mesoplasma epitaxy2011
- Author(s)
  L.-W. Chen, Y. Shibuta, M. Kambara, T. Yoshida
- Organizer
  IUMRS-ICA
- Place of Presentation
  Taipei.
- Data Source
  KAKENHI-PROJECT-23656143
[Presentation] Molecular dynamics study of nanoclusters' role in mesoplasma epitaxy2011
- Author(s)
  L.-W. Chen, Y. Shibuta, M. Kambara, T. Yoshida
- Organizer
  IUMRS-ICA 2011
- Place of Presentation
  Taipei, China
- Data Source
  KAKENHI-PROJECT-23656143
[Presentation] Interaction between two graphene sheets with a turbostratic orientational relationship2011
- Author(s)
  Y.Shibuta, J.A.Elliott
- Organizer
  CCTN11
- Place of Presentation
  Cambridge, UK(招待講演)
- Year and Date
  2011-07-16
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] Numerical modelling of metal-catalyzed growth process of carbon nanotube and related properties of catalytic metal nanoparticles2011
- Author(s)
  Y. Shibuta
- Organizer
  CCTN11
- Place of Presentation
  Cambridge, UK
- Year and Date
  2011-07-15
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] Numerical modelling of metal-catalyzed growth process of carbon nanotube and related properties of catalytic metal nanoparticles2011
- Author(s)
  Y.Shibuta
- Organizer
  NT2011
- Place of Presentation
  Cambridge, UK
- Year and Date
  2011-07-13
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] Unravelling the nucleation of SWNTs : Bond switching regimes in nickel and nickel-carbon nanoclusters2010
- Author(s)
  E. C. Neyts, Y. Shibuta, A. Bogaerts
- Organizer
  NT2010
- Place of Presentation
  Montreal, Canada
- Year and Date
  2010-07-01
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] Molecular dynamics study of phase transition in substrate-supported nanoparticles of bcc metals2010
- Author(s)
  Y. Shibuta, T. Suzuki
- Organizer
  APS March Meeting 2010
- Place of Presentation
  Portland, USA
- Year and Date
  2010-03-16
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] Molecular dynamics simulation of Si nanoclusters in mesoplasma epitaxy2010
- Author(s)
  L.W.Chen, Y.Shibuta, M.Kambara, T.Yoshida
- Organizer
  第7回金属学会ヤングメタラジスト研究交流会
- Place of Presentation
  東京
- Year and Date
  2010-11-11
- Data Source
  KAKENHI-PROJECT-21226017
[Presentation] Catalyzed growth of carbon nanotubes by hybrid molecular dynamics/force biased Monte Carlo simulations2010
- Author(s)
  E. C. Neyts, Y. Shibuta, A. C. T. van Duin, A. Bogaerts
- Organizer
  NT2010
- Place of Presentation
  Montreal, Canada
- Year and Date
  2010-07-01
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] A numerical approach to the metal-catalyzed growth process of carbon nanotubes2010
- Author(s)
  Y. Shibuta
- Organizer
  Diamond 2010
- Place of Presentation
  Budapest, Hungary
- Year and Date
  2010-09-06
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] 金属ナノ粒子融解凝固過程の分子動力学2010
- Author(s)
  澁田靖・鈴木俊夫
- Organizer
  第47回日本伝熱シンポジウム
- Place of Presentation
  札幌コンベンションセンター
- Year and Date
  2010-05-28
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] A computational study of the graphitization ability of transition metal catalysts for carbon nanotube synthesis2009
- Author(s)
  J. A. Elliott, Y. Shibuta
- Organizer
  NT09
- Place of Presentation
  Beijing, China
- Year and Date
  2009-06-22
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] Molecular dynamics study of the phase transition in the bcc metal nanoparticles2009
- Author(s)
  Y. Shibuta, T. Suzuki
- Organizer
  APS March Meeting 2009
- Place of Presentation
  Pittsburgh, USA
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] A molecular dynamics study of the growth and melting of metal nanoparticles in melt2009
- Author(s)
  渡邉佑介・澁田靖・鈴木俊夫
- Organizer
  2009 MRS Fall Meeting
- Place of Presentation
  Boston, USA
- Year and Date
  2009-12-01
- Data Source
  KAKENHI-PROJECT-20656036
[Presentation] Kinetics of the fcc-bcc phase transformation iron by molecular dynamics2009
- Author(s)
  立山真司・澁田靖・鈴木俊夫
- Organizer
  Asia Steel 2009
- Place of Presentation
  Busan, Korea
- Year and Date
  2009-05-25
- Data Source
  KAKENHI-PROJECT-20656036
[Presentation] 分子動力学法による鉄固液界面エネルギーおよびカイネティック係数の評価2009
- Author(s)
  渡邉佑介・澁田靖・鈴木俊夫
- Organizer
  日本鉄鋼協会第158回秋季講演大会
- Place of Presentation
  京都大学
- Year and Date
  2009-10-11
- Data Source
  KAKENHI-PROJECT-20656036
[Presentation] A molecular dynamics study of the kinetics of the solid-liquid interface of iron2009
- Author(s)
  渡邉佑介・澁田靖・鈴木俊夫
- Organizer
  Asia Steel 2009
- Place of Presentation
  Busan, Korea
- Year and Date
  2009-05-25
- Data Source
  KAKENHI-PROJECT-20656036
[Presentation] 分子動力学法による鉄の固液界面エネルギーの評価2009
- Author(s)
  渡邉佑介・澁田靖・鈴木俊夫
- Organizer
  日本機械学会第22回計算力学講演会
- Place of Presentation
  金沢大学
- Year and Date
  2009-10-11
- Data Source
  KAKENHI-PROJECT-20656036
[Presentation] 分子動力学法による鉄固相変態過程における界面キネティクスの解析2009
- Author(s)
  立山真司・澁田靖・鈴木俊夫
- Organizer
  日本機械学会第22回計算力学講演会
- Place of Presentation
  金沢大学
- Year and Date
  2009-10-11
- Data Source
  KAKENHI-PROJECT-20656036
[Presentation] Numerical modelling of the metal-catalyzed growth process of carbon nanotubes2009
- Author(s)
  Y. Shibuta, J. A. Elliott
- Organizer
  NT09
- Place of Presentation
  Beijing, China
- Year and Date
  2009-06-22
- Data Source
  KAKENHI-PROJECT-21686021
[Presentation] A molecular dynamics study of the graphitization ability of transition metals for catalysis of carbon nanotube rtowth via chemical vapor deposition2008
- Author(s)
  S. Tateyama, Y. Shibuta, T. Suzuki
- Organizer
  2008 MRS Fall Meeting
- Place of Presentation
  Boston, USA
- Year and Date
  2008-12-04
- Data Source
  KAKENHI-PROJECT-20656036
[Presentation] A molecular dynamics study of the graphitization ability of transition metals for catalysis of carbon nanotube growth via chemical vapor deposition2008
- Author(s)
  Y. Shibuta, J.A. Elliott
- Organizer
  2008 MRS Fall Meeting
- Place of Presentation
  Boston, USA
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] Multiscale modeling of early stage growth of CNTs produced by a catalytic CVD process2008
- Author(s)
  James A. Elliott, Yasushi Shibuta
- Organizer
  APS March Meeting 2008
- Place of Presentation
  New Orleans, Louisiana, USA
- Year and Date
  2008-03-11
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] Electric current and electrode potential in phase-field modeling2008
- Author(s)
  Y. Okajima, Y. Shibuta, T. Suzuk
- Organizer
  214th the Electrochemical Society Meeting
- Place of Presentation
  ホノルル(米国)
- Year and Date
  2008-10-16
- Data Source
  KAKENHI-PROJECT-19017005
[Presentation] A molecular dynamics study of the melting and nucleation of iron nano particles2008
- Author(s)
  Yasushi Shibuta, Toshio Suzuki
- Organizer
  APS March Meeting 2008
- Place of Presentation
  New Orleans, Louisiana, USA
- Year and Date
  2008-03-10
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] A molecular dynamics study of the graphitization ability of transiti on metals for catalysis of carbon nanotube growth via chemical vap or deposition2008
- Author(s)
  Y. Shibuta, J. A. Elliott
- Organizer
  2008 MRS Fall Meeting
- Place of Presentation
  Boston, USA
- Year and Date
  2008-12-01
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] Multiscale modeling of early stage growth of CNTs produced by a catalytic CVD process2008
- Author(s)
  J.A. Elliott, Y. Shibuta
- Organizer
  APS March Meeting 2008
- Place of Presentation
  New Orleans, USA
- Year and Date
  2008-03-11
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] A molecular dynamics study of the melting and nucleation of iron nanoparticles2008
- Author(s)
  Y. Shibuta, T. Suzuki
- Organizer
  APS March Meeting 2008
- Place of Presentation
  New Orleans, USA
- Year and Date
  2008-03-10
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] 鉄クラスターの核生成・融解過程の分子動力学2007
- Author(s)
  澁田靖・鈴木俊夫
- Organizer
  日本鉄鋼協会第154回秋季大会
- Place of Presentation
  岐阜大学
- Year and Date
  2007-09-21
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] Multiscale modeling for the early stage growth of CNTs produced by a catalytic CVD process2007
- Author(s)
  James A. Elliott, Yasushi Shibuta
- Organizer
  NT07
- Place of Presentation
  Our Preto, Brazil
- Year and Date
  2007-06-24
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] Multiscale modeling for the early stage growth of CNTs produced by a catalytic CVD process2007
- Author(s)
  J.A. Elliott, Y. Shibuta
- Organizer
  NT07
- Place of Presentation
  Ouro Perto, Brazil
- Year and Date
  2007-06-24
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] Molecular Dynamics Simulation of a Nucleation Process of an SWNT in Alcohol Catalytic CVD Technique2006
- Author(s)
  S. Hirama, Y. Shibuta, S. Maruyama
- Organizer
  NT06
- Place of Presentation
  Nagano, Japan
- Year and Date
  2006-03-19
- Data Source
  KAKENHI-PROJECT-18686017
[Presentation] Ethanol decomposition on transition metal nanoparticles during carbon nanotube growth: ab initio molecular dynamics study
- Author(s)
  Y. Shibuta, K. Shimamura, T. Oguri, R. Arifin, F. Shimojo, S. Yamaguchi
- Organizer
  APS March Meeting 2015
- Place of Presentation
  Henry B. Gonzalez Convention Center, San Antonio, Texas, USA
- Year and Date
  2015-03-02 – 2015-03-06
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] Ab initio molecular dynamics study of bond dissociation mechanism of ethanol　during carbon nanotube growth via CVD process
- Author(s)
  T. Oguri, K. Shimamura, Y. Shibuta, F. Shimojo, S. Yamaguchi
- Organizer
  NT14
- Place of Presentation
  University of Southern California, Los Angeles, California, USA
- Year and Date
  2014-06-02 – 2014-06-06
- Data Source
  KAKENHI-PROJECT-24686026
[Presentation] 大規模分子動力学法シミュレーションの凝固分野への応用
- Author(s)
  澁田靖、小口かなえ、大野宗一
- Organizer
  日本鉄鋼協会　第168回　秋季講演大会
- Place of Presentation
  名古屋大学、名古屋
- Year and Date
  2014-09-24 – 2014-09-26
- Data Source
  KAKENHI-PROJECT-25289266

1. Ohno Munekazu (30431331)

# of Collaborated Projects: 5 results

# of Collaborated Products: 132 results
2. SUZUKI Toshio (70115111)

# of Collaborated Projects: 4 results

# of Collaborated Products: 2 results
3. IKEDA Minoru (50167243)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
4. KAMBARA Makoto (80359661)

# of Collaborated Projects: 2 results

# of Collaborated Products: 10 results
5. Takaki Tomohiro (50294260)

# of Collaborated Projects: 2 results

# of Collaborated Products: 110 results
6. ELLIOTT James

# of Collaborated Projects: 2 results

# of Collaborated Products: 1 results
7. YOSHIDA Toyonobu (00111477)

# of Collaborated Projects: 1 results

# of Collaborated Products: 6 results
8. TANAKA Yasunori (90303263)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. MORITA Kazuki (00210170)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. Yoshikawa Takeshi (90435933)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. 川西咲子 (80726985)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. 下條冬樹 (60253027)

# of Collaborated Projects: 1 results

# of Collaborated Products: 7 results
13. 安田秀幸 (60239762)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. 青木尊之 (00184036)

# of Collaborated Projects: 1 results

# of Collaborated Products: 42 results
15. 加藤俊顕 (20502082)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
16. 大塚朋廣 (50588019)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
17. NEYTS Erik

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
18. AMARA Hakim

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
19. Okuda Yohei

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
20. Minami Hirono

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
21. Kim Geunwoo

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
22. ZHANG LIANG

# of Collaborated Projects: 1 results

# of Collaborated Products: 24 results
23. 下川辺隆史

# of Collaborated Projects: 0 results

# of Collaborated Products: 6 results

Shibuta Yasushi 澁田 靖

SHIBUTA Yasushi 澁田 靖

Research Projects

Research Products

Co-Researchers

先進プラズマ活用1次元ナノカーボン材料の完全原子配列制御合成と革新的応用開拓Ongoing

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合金組織形成ダイナミクスの原子論的理解に向けた分子動力学解析の時間スケール加速Principal InvestigatorOngoing

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原子・組織アプローチのデータ同化に基づく非平衡固液界面物性の学理開拓Ongoing

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Molecular dynamics simulation of grain boundary behaviours in nanocrystalline materialsHost Researcher

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Very large scale molecular dynamics simulations for revealing and controlling of microstructure formation of alloysPrincipal Investigator

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Molecular dynamics study on dissociation of carbon source molecules for design of carbon nanotube and graphene without defectsPrincipal Investigator

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Multiscale modeling of synthesis of thin film of diameter- and chirality-controlled carbon nanotubesPrincipal Investigator

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Molecular dynamics study of epitaxial growth of silicon thin film via a plasma CVDPrincipal Investigator

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Molecular dynamics study of optimum structure of metal nanoparticles for chirality control of nanotubePrincipal Investigator

Principal Investigator

Shibuta Yasushi 澁田靖

SHIBUTA Yasushi 澁田靖