Ootani Yusuke 大谷優介

Researcher Number	70618777
Other IDs
Affiliation (Current)	2025: 東北大学, 金属材料研究所, 准教授
Affiliation (based on the past Project Information) *help	2021 – 2024: 東北大学, 金属材料研究所, 准教授 2017 – 2020: 東北大学, 金属材料研究所, 助教
Review Section/Research Field	Principal Investigator Basic Section 32010:Fundamental physical chemistry-related / Physical chemistry Except Principal Investigator Medium-sized Section 35:Polymers, organic materials, and related fields
Keywords	Principal Investigator 密度汎関数強束縛法 / 水潤滑 / トライボケミストリー / トライボロジー / 密度汎関数強束縛分子動力学法 / 第一原理分子動力学法 / 電子励起状態ダイナミクス / 深層学習分子動力学手法 / 電子励起状態 / 深層学習分子動力学法 … More / 分子動力学法 / 分子結晶 / 摩擦 / ダイヤモンドライクカーボン / 炭化ケイ素 / 反応分子動力学法 / ケイ素系セラミックス / トライボ化学反応 … More Except Principal Investigator トライボロジー / 着雪氷霜 / 水クラスター形成 / 水和 / ポリマーブラシ Less

Elucidation of Specificity of Water in Concentrated Polymer Brushes and its Application Toward Anti-Snow/Ice/Frost Functions
- Principal Investigator
  
  辻井敬亘
- Project Period (FY)
  2024 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 35:Polymers, organic materials, and related fields
- Research Institution
  Kyoto University
変形・破壊の分子ダイナミクスがもたらす力学作用と光の相互変換Principal Investigator
- Principal Investigator
  
  大谷優介
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Tohoku University
Chemical Reaction Dynamics in Friction-induced Self-organization and Self-healing of TribofilmsPrincipal Investigator
- Principal Investigator
  
  Ootani Yusuke
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Tohoku University
First-Principles Study on Chemical Reactions Induced by Friction: Design of Low Friction and Wear Resistance MaterialsPrincipal Investigator
- Principal Investigator
  
  Ootani Yusuke
- Project Period (FY)
  2017 – 2018
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Tohoku University

All 2023 2022 2021 2020 2019 2018 2017

All Journal Article Presentation Book

[Book] 数値解析と表面分析によるトライボロジーの解明と制御2018
- Author(s)
  大谷優介、久保百司
- Total Pages
  1192
- Publisher
  株式会社テクノシステム
- ISBN
- Data Source
  KAKENHI-PROJECT-17K14430
[Journal Article] Three Tribolayers Self-Generated from SiC Individually Work for Reducing Friction in Different Contact Pressures2022
- Author(s)
  Y. Ootani, J. Xu, F. Nakamura, M. Kawaura, S. Uehara, Y. Wang, N. Ozawa, K. Adachi, M. Kubo
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 126 Issue: 5 Pages: 2728-2736
- DOI
  10.1021/acs.jpcc.1c07668
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05380, KAKENHI-PROJECT-21H01235
[Journal Article] Density-Functional Tight-Binding Molecular Dynamics Simulation of the Bending Mechanism of Molecular Crystals2022
- Author(s)
  Yusuke Ootani, Momoji Kubo
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 126 Issue: 25 Pages: 10554-10565
- DOI
  10.1021/acs.jpcc.2c02504
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23293
[Journal Article] Non-Empirical Law for Nanoscale Atom-by-Atom Wear2021
- Author(s)
  Y. Wang, J. Xu, Y. Ootani, N. Ozawa, K. Adachi, M. Kubo
- Journal Title
  
  Adv. Sci
  
  Volume: 8 Issue: 2 Pages: 20028271-6
- DOI
  10.1002/advs.202002827
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K05380
[Journal Article] Cooperative Roles of Chemical Reactions and Mechanical Friction in Chemical Mechanical Polishing of Gallium Nitride Assisted by OH Radicals: Tight-Binding Quantum Chemical Molecular Dynamics Simulations2021
- Author(s)
  K. Kawaguchi, Y. Wang, J. Xu, Y. Ootani, Y. Higuchi, N. Ozawa, M. Kubo
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 23 Issue: 7 Pages: 4075-4084
- DOI
  10.1039/d0cp05826b
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05380, KAKENHI-PROJECT-20K05147, KAKENHI-PROJECT-19H00734
[Journal Article] Interplay of Molecular Dynamics Simulation and Friction Experiment2021
- Author(s)
  大谷優介、足立幸志、久保百司
- Journal Title
  
  JOURNAL OF JAPANESE SOCIETY OF TRIBOLOGISTS
  
  Volume: 66 Issue: 4 Pages: 288-293
- DOI
  10.18914/tribologist.66.04_288
- NAID
  130008024829
- ISSN
  0915-1168, 2189-9967
- Year and Date
  2021-04-15
- Language
  Japanese
- Data Source
  KAKENHI-PROJECT-19K05380, KAKENHI-PROJECT-21H01235
[Journal Article] 摩擦界面において力学的に誘起される化学反応がもたらす摩耗の分子動力学シミュレーション2021
- Author(s)
  大谷優介、王楊、足立幸志、久保百司
- Journal Title
  
  フロンティア
  
  Volume: 3 Pages: 74-80
- Data Source
  KAKENHI-PROJECT-19K05380
[Journal Article] 水環境における炭化ケイ素の摩擦・摩耗シミュレーション-水潤滑を利用した低摩擦システムの実用化に向けて-2021
- Author(s)
  川浦正之、大谷優介、久保百司
- Journal Title
  
  セラミックス
  
  Volume: 56 Pages: 690-693
- Data Source
  KAKENHI-PROJECT-19K05380
[Journal Article] Self-Formed Double Tribolayers Play Collaborative Roles in Achieving Super-Low Friction in Aqueous Environment2020
- Author(s)
  Y. Ootani, J. Xu, N. Takahashi, K. Akagami, S. Sakaki, Y. Wang, N. Ozawa, T. Hatano, K. Adachi, M. Kubo
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 124 Issue: 15 Pages: 8295-8303
- DOI
  10.1021/acs.jpcc.0c02068
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05380, KAKENHI-PROJECT-19H01811, KAKENHI-PLANNED-16H06478
[Journal Article] Reactive Molecular Dynamics Simulations of Wear and Tribochemical Reactions of Diamond like Carbon Interfaces with Nanoscale Asperities under H2 Gas: Implications for Solid Lubricant Coatings2020
- Author(s)
  Y. Wang, Y. Su, J. Zhang, Q. Chen, J. Xu, S. Bai, Y. Ootani, N. Ozawa, M.-I. B. Bouchet, J. M. Martin, K. Adachi, M. Kubo
- Journal Title
  
  ACS Appl. Nano Matter.
  
  Volume: 3 Issue: 7 Pages: 7297-7304
- DOI
  10.1021/acsanm.0c01775
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05380, KAKENHI-PROJECT-19J21195, KAKENHI-PROJECT-20J12830
[Journal Article] First-Principles Molecular Dynamics Study of Silicon-based Ceramics: Different Tribochemical Reaction Mechanisms during the Running-in Period of Silicon Nitride and Silicon Carbide2020
- Author(s)
  Y. Ootani, J. Xu, K. Adachi, M. Kubo
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 124 Issue: 37 Pages: 20079-20089
- DOI
  10.1021/acs.jpcc.0c04613
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05380
[Journal Article] Contrasting Roles of Water at Sliding Interfaces between Silicon-Based Materials: First-Principles Molecular Dynamics Sliding Simulations2018
- Author(s)
  Y. Ootani, J. Xu, T. Hatano, M. Kubo
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 122 Issue: 19 Pages: 10459-10467
- DOI
  10.1021/acs.jpcc.8b01953
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K14430, KAKENHI-PLANNED-16H06478
[Presentation] Molecular Dynamics Simulation Analysis of Tribochemical Reaction and Friction Reduction Mechanism of Si3N4 in Water Lubrication with Ethylene Glycol2023
- Author(s)
  R. Kudo, A. Chiba, M. Yokoi, M. Kawaura, Y. Asano, Y. Ootani, N. Ozawa, M. Kubo
- Organizer
  Tribochemistyr Beppu 2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23293
[Presentation] Effect of Ethylene Glycol Additives on the Water Lubrication of Silicon Nitride - Molecular Dynamics Simulation with Neural Network Potential -2023
- Author(s)
  R. Kudo, K. Hosono, A. Chiba, M. Yokoi, M. Kawaura, S. Fukushima, Y. Asano, Y. Ootani, N. Ozawa, M. Kubo
- Organizer
  WINDS2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23293
[Presentation] Atomic-Scale Deformation/Fracture Process of Molecular Crystals: Density-Functional Tight Binding Molecular Dynamics Simulations2023
- Author(s)
  Y. Ootani, M. Kubo
- Organizer
  The 3rd Materials Research Meeting (MRM 2023) / The 24th IUMRS-International Conference in Asia (IUMRS-ICA 2023)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23293
[Presentation] Density-Functional Tight Binding Molecular Dynamics Approach for Deformation/Fracture Mechanisms of Molecular Crystals2023
- Author(s)
  Y. Ootani, M. Kubo
- Organizer
  The 5th conference of Theory and Applications of Computational Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23293
[Presentation] 密度汎関数強束縛分子動力学法による分子結晶の変形/破壊メカニズムの解析2022
- Author(s)
  大谷優介, 久保百司
- Organizer
  第24回理論化学討論会
- Data Source
  KAKENHI-PROJECT-23K23293
[Presentation] 力学作用によって誘起される化学現象の解明に向けたスーパーコンピュータ分子動力学シミュレーション2022
- Author(s)
  大谷優介
- Organizer
  第143回東北大学金属材料研究所講演会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23293
[Presentation] Molecular Dynamics Study on the Super-low Friction Mechanism of Silicon Carbide in Water2021
- Author(s)
  Yusuke Ootani
- Organizer
  The 24th International Annual Symposium on Computational Science and Engineering
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] Molecular Dynamics Simulation Study on Mechanochemical Reaction Dynamics at Sliding Interface2021
- Author(s)
  大谷優介
- Organizer
  令和3年度化学系学協会東北大会
- Invited
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] 鉄の摩擦界面における水のトライボ化学反応が摩擦・摩耗に与える影響: 反応分子動力学シミュレーション解析2021
- Author(s)
  大谷優介、土子政貴、王楊、尾澤伸樹、久保百司
- Organizer
  トライボロジー会議2021春
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] 炭化ケイ素の摩擦界面で起こる潤滑膜自己形成の化学反応ダイナミクス2021
- Author(s)
  大谷優介、中村文哉、王楊、尾澤伸樹、久保百司
- Organizer
  第23回理論科学討論会
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] Continuous formation process of lubricant tribofilm of SiC in an aqueous environment: Molecular dynamics simulation2021
- Author(s)
  Masayuki Kawaura, Yusuke Ootani, Nobuki Ozawa, Momoji Kubo
- Organizer
  Pacifichem 2021
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] 水潤滑下におけるSiC-DLCコーティング材の反応分子動力学シミュレーション2021
- Author(s)
  川浦正之, 王楊, 大谷優介, 尾澤伸樹, 足立幸志, 久保百司
- Organizer
  トライボロジー会議2021春
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] 炭化ケイ素のトライボフィルムの自己修復をもたらすトライボケミカル反応の分子動力学シミュレーション解析2021
- Author(s)
  川浦正之, 大谷優介, 尾澤伸樹, 久保百司
- Organizer
  トライボロジー会議2021秋
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] Reactive Molecular Dynamics Simulation Study on Tribofilm Formation Process of Silicon Carbide in Water2019
- Author(s)
  Y. Ootani, J. Xu, F. Nakamura, Y. Wang, K. Adachi, M. Kubo
- Organizer
  Tribochemistry Hakodate 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] Molecular Dynamics and Friction Experiment Study on Super-Low Friction Mechanism of Silicon-Based Ceramics in Water Lubrication2019
- Author(s)
  Y. Ootani, J. Xu, N. Takahashi, K. Akagami, K. Adachi, M. Kubo
- Organizer
  ITC Sendai 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] ケイ素系セラミックスが水中で発現する超低摩擦メカニズム：機械におけるなじみ現象の理解に向けた計算と実験の連携2019
- Author(s)
  大谷優介、許競翔、高橋直己、赤上研太、足立幸志、久保百司
- Organizer
  第22回理論科学討論会
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] 炭化ケイ素のトライボ膜形成プロセスと低摩擦発現メカニズムの分子動力学シミュレーション解析2019
- Author(s)
  大谷優介、中村文哉、王楊、足立幸志、久保百司
- Organizer
  トライボロジー会議2019春東京
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] シリコン系セラミックスの摩擦界面で自己形成する潤滑膜の分子動力学シミュレーション解析2019
- Author(s)
  大谷優介、許競翔、高橋直己、赤上研太、足立幸志、久保百司
- Organizer
  第33回分子シミュレーション
- Data Source
  KAKENHI-PROJECT-19K05380
[Presentation] 水潤滑下における炭化ケイ素と窒化ケイ素のなじみ過程の違い: 第一原理分子動力学シミュレーション解析2018
- Author(s)
  大谷優介、中村文哉、久保百司
- Organizer
  トライボロジー会議2018春東京
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] Tribochemical Wear of Silicon-Based Materials Mediated by Proton Transfer: Molecular Dynamics Sliding Simulation Analysis2018
- Author(s)
  Y. Ootani
- Organizer
  2018 HYDROGENIUS & I2CNER TRIBOLOGY SYMPOSIUM
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] ケイ素セラミックスの摩擦界面で自己形成する潤滑膜の分子動力学計算解析2018
- Author(s)
  大谷優介、許競翔、高橋直己、足立幸志、久保百司
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] 岩石のミクロな摩擦現象と地震メカニズムに関する連携研究2018
- Author(s)
  大谷優介、久保百司、波多野恭弘
- Organizer
  第2回ポスト「京」萌芽的課題「基礎科学の挑戦」・「極限マテリアル」合同公開シンポジウム
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] Molecular Dynamics Simulation Study on Tribolayer Formation of Silicon-Based Ceramics in Water Lubrication System2018
- Author(s)
  Y. Ootani, J. Xu, N. Takahashi, K. Adachi, M. Kubo
- Organizer
  SMS2018 SUMMIT of MATERIALS SCIENCE
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] Molecular Dynamics Simulation Study on the Structure, Role, and Formation Mechanism of Tribofilms of Silicon-Based Materials in Water2018
- Author(s)
  Y. Ootani, J. Xu, N. Takahashi, K. Adachi, M. Kubo
- Organizer
  The 9th International Conference on Multiscale Materials Modeling
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] 酸・塩基性溶液がケイ素系材料の摩耗に与える影響：第一原理分子動力学シミュレーション解析2017
- Author(s)
  大谷優介、高橋直己、久保百司
- Organizer
  トライボロジー会議 2017 秋高松
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] ケイ素材料の摩擦界面における水の役割: 第一原理分子動力学計算による化学反応機構解析2017
- Author(s)
  大谷優介、高橋直己、久保百司
- Organizer
  トライボロジー会議 2017 春東京
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] First-Principles Molecular Dynamics Simulations for Tribochemical Reactions in Silicon Based Ceramics Sliding Interface2017
- Author(s)
  Y. Ootani, N. Takahashi, M. Kubo
- Organizer
  6th World Tribology Congress
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] 摩擦によって誘起される化学反応がケイ素系セラミックスの摩擦・摩耗に与える影響：第一原理分子動力学解析2017
- Author(s)
  大谷優介、久保百司
- Organizer
  コンピュータ化学会秋季年会
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] ケイ素系セラミックスの摩擦によって誘起される化学反応の第一原理分子動力学シミュレーション解析2017
- Author(s)
  大谷優介、久保百司
- Organizer
  第10回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17K14430
[Presentation] First-Principles Molecular Dynamics Study on Chemical Reaction of Silicon-Based Materials Induced by Friction2017
- Author(s)
  Y. Ootani, M. Kubo
- Organizer
  International Symposium "Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory"
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K14430

1. 辻井敬亘 (00217308)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
2. 黄瀬雄司 (00946676)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. 石田紘一朗 (20989925)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 中野健 (30292642)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

Ootani Yusuke 大谷 優介

Research Projects

Research Products

Co-Researchers

Elucidation of Specificity of Water in Concentrated Polymer Brushes and its Application Toward Anti-Snow/Ice/Frost Functions

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

変形・破壊の分子ダイナミクスがもたらす力学作用と光の相互変換Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Chemical Reaction Dynamics in Friction-induced Self-organization and Self-healing of TribofilmsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

First-Principles Study on Chemical Reactions Induced by Friction: Design of Low Friction and Wear Resistance MaterialsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Book] 数値解析と表面分析によるトライボロジーの解明と制御2018

Author(s)

Total Pages

Publisher

ISBN

Data Source

[Journal Article] Three Tribolayers Self-Generated from SiC Individually Work for Reducing Friction in Different Contact Pressures2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Density-Functional Tight-Binding Molecular Dynamics Simulation of the Bending Mechanism of Molecular Crystals2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Non-Empirical Law for Nanoscale Atom-by-Atom Wear2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Cooperative Roles of Chemical Reactions and Mechanical Friction in Chemical Mechanical Polishing of Gallium Nitride Assisted by OH Radicals: Tight-Binding Quantum Chemical Molecular Dynamics Simulations2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Interplay of Molecular Dynamics Simulation and Friction Experiment2021

Author(s)

Journal Title

DOI

NAID

ISSN

Year and Date

Language

Data Source

[Journal Article] 摩擦界面において力学的に誘起される化学反応がもたらす摩耗の分子動力学シミュレーション2021

Author(s)

Journal Title

Data Source

[Journal Article] 水環境における炭化ケイ素の摩擦・摩耗シミュレーション-水潤滑を利用した低摩擦システムの実用化に向けて-2021

Author(s)

Journal Title

Data Source

[Journal Article] Self-Formed Double Tribolayers Play Collaborative Roles in Achieving Super-Low Friction in Aqueous Environment2020

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Reactive Molecular Dynamics Simulations of Wear and Tribochemical Reactions of Diamond like Carbon Interfaces with Nanoscale Asperities under H2 Gas: Implications for Solid Lubricant Coatings2020

Author(s)

Journal Title

DOI

Ootani Yusuke 大谷優介