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Modeling and simulation on mechanical properties of high entropy alloys

Planned Research

Project AreaHigh Entropy Alloys - Science of New Class of Materials Based on Elemental Multiplicity and Heterogeneity
Project/Area Number 18H05453
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionOsaka University

Principal Investigator

尾方 成信  大阪大学, 基礎工学研究科, 教授 (20273584)

Co-Investigator(Kenkyū-buntansha) 都留 智仁  国立研究開発法人日本原子力研究開発機構, 原子力科学研究部門 原子力科学研究所 原子力基礎工学研究センター, 研究主幹 (80455295)
下川 智嗣  金沢大学, 機械工学系, 教授 (40361977)
久保 百司  東北大学, 金属材料研究所, 教授 (90241538)
青柳 吉輝  東北大学, 工学研究科, 准教授 (70433737)
弓削 是貴  京都大学, 工学研究科, 准教授 (70512862)
Project Period (FY) 2018-06-29 – 2023-03-31
Project Status Granted (Fiscal Year 2022)
Budget Amount *help
¥199,940,000 (Direct Cost: ¥153,800,000、Indirect Cost: ¥46,140,000)
Fiscal Year 2022: ¥36,010,000 (Direct Cost: ¥27,700,000、Indirect Cost: ¥8,310,000)
Fiscal Year 2021: ¥42,250,000 (Direct Cost: ¥32,500,000、Indirect Cost: ¥9,750,000)
Fiscal Year 2020: ¥43,550,000 (Direct Cost: ¥33,500,000、Indirect Cost: ¥10,050,000)
Fiscal Year 2019: ¥36,920,000 (Direct Cost: ¥28,400,000、Indirect Cost: ¥8,520,000)
Fiscal Year 2018: ¥41,210,000 (Direct Cost: ¥31,700,000、Indirect Cost: ¥9,510,000)
Keywordsハイエントロピー合金 / 力学特性 / 計算材料科学
Outline of Annual Research Achievements

本年度は、当計画班および領域全体の目標達成に向けて以下の研究を実施した。
①ハイエントロピー合金の照射損傷耐性評価のための格子間原子拡散の原子論的解析 ②ハイエントロピー合金の短距離秩序構造に対して有効な履歴依存一般化積層欠陥理論構築 ③大規模第一原理計算によるハイエントロピー合金の転位芯構造解析 ④ハイエントロピー合金における粒界偏析が転位放出現象に及ぼす影響の原子論的解析 ⑤ハイエントロピー合金の応力腐食割れに関する反応分子動力学シミュレーション ⑥結晶塑性FEMシミュレーションにおける冷間圧延ハイエントロピー合金の集合組織 ⑦ハイエントロピー合金の熱力学的平衡状態の微視的構造の幾何学的考察。
これらの研究により以下のことがそれぞれ明らかになるかまたは達成された。
①ハイエントロピー合金内では、点欠陥の拡散速度は純金属のそれと大きな変化がない一方で、格子間原子の拡散は極端に遅くなることが分かった。②短距離秩序構造を有するハイエントロピー合金では積層欠陥エネルギーが原子層間のすべりの履歴に依存することを示し、このことを考慮した履歴依存一般化積層欠陥エネルギーの概念を新たに提案した。③BCC構造を有するハイエントロピー合金のらせん転位の転位芯構造と短距離秩序構造との関係を第一原理計算を用いて明らかにした。④ハイエントロピー合金内では粒界自由体積が減少し、粒界からの転位放出を困難化することが分かった。⑤水との反応によって形成された非晶質の表面酸化膜が積層欠陥の生成を抑制することがわかった。⑥結晶塑性FEM解析で集合組織情報ならびに力学異方性を再現することを可能とした。⑦微視的構造と多体相互作用の間の非線型な対応関係が原子半径比や格子中の幾何学情報で整理できることが分かった。

Current Status of Research Progress
Current Status of Research Progress

1: Research has progressed more than it was originally planned.

Reason

本年は特に近年着目されている短距離秩序構造に着目し、その形成過程や形成条件を明らかにするとともに、それが格子欠陥の核生成、運動に与える影響を解析することを目標として実施したが、短距離秩序構造が転位の運動に与える影響などを第一原理から明らかにしており、計画通り実施できている。またそれに加えて、短距離秩序構造が積層欠陥の履歴依存性を通じて変形履歴依存性を有することや、それを体系化する履修依存一般化積層欠陥エネルギーの概念を新たに提唱するなど、予定を上回る結果が得られている。

Strategy for Future Research Activity

次年度は、短距離秩序構造の形成速度を解析する技術を確立する。そして、それを用いて熱緩和温度および時間によって短距離秩序構造を制御するための、制御マップを構築する。そして短距離秩序構造の制御を通じた強度や延性の制御可能性について検討する。随時、A01班、A03班から提供されるミクロな観察実験との比較による解析結果の妥当性の検証や、解析結果の各班への提供を行い、計算・理論・実験の三位一体で研究を前進させる。得られた知見を集約して広い温度・応力域、様々な腐食環境での変形を記述する力学特性マップの構築を推進する。

Report

(3 results)
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • 2018 Annual Research Report

Research Products

(175 results)

All 2021 2020 2019 2018 Other

All Int'l Joint Research (9 results) Journal Article (48 results) (of which Int'l Joint Research: 12 results,  Peer Reviewed: 47 results,  Open Access: 14 results) Presentation (116 results) (of which Int'l Joint Research: 32 results,  Invited: 48 results) Book (2 results)

  • [Int'l Joint Research] Johns Hopkins University/The University of Tennessee/Massachusetts Institute of Technology(米国)

    • Related Report
      2020 Annual Research Report
  • [Int'l Joint Research] 西安交通大学(中国)

    • Related Report
      2020 Annual Research Report
  • [Int'l Joint Research] 台湾国立交通大学(その他の国・地域)

    • Related Report
      2020 Annual Research Report
  • [Int'l Joint Research] Johns Hopkins University/The University of Tennessee/Massachusetts Institute of Technology(米国)

    • Related Report
      2019 Annual Research Report
  • [Int'l Joint Research] 西安交通大学/City University of Hong Kong/Tsinghua University(中国)

    • Related Report
      2019 Annual Research Report
  • [Int'l Joint Research] 台湾国立交通大学(その他の国・地域 台湾)

    • Related Report
      2019 Annual Research Report
  • [Int'l Joint Research] Chinese Academy of Sciences/Wuhan university/Taiyuan University of Technology(中国)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] University of Tennessee/Oak Ridge National Laboratory/University of Illinois(米国)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] National Chiao Tung University(その他の国・地域 台湾)

    • Related Report
      2018 Annual Research Report
  • [Journal Article] Evaluation of Mechanical Properties and Materials Design Hased on Atomistic Simulations2021

    • Author(s)
      都留智仁
    • Journal Title

      Materia Japan

      Volume: 60 Issue: 1 Pages: 25-29

    • DOI

      10.2320/materia.60.25

    • NAID

      130007964847

    • ISSN
      1340-2625, 1884-5843
    • Year and Date
      2021-01-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Dependences of Grain Size and Strain-Rate on Deformation Behavior of Commercial Purity Titanium Processed by Multi-Directional Forging2020

    • Author(s)
      S. Yamamoto, Y. Miyajima, C. Watanabe, R. Monzen, T. Tsuru, H. Miura
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 61 Issue: 12 Pages: 2320-2328

    • DOI

      10.2320/matertrans.MT-M2020263

    • NAID

      130007942366

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2020-12-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Landscape of Configurational Density of States for Discrete Systems at Equicomposition2020

    • Author(s)
      K. Yuge, T. Taikei, K. Oku, S. Ohta, K. Takeuchi
    • Journal Title

      Transactions of the Materials Research Society of Japan

      Volume: 45 Issue: 5 Pages: 163-166

    • DOI

      10.14723/tmrsj.45.163

    • NAID

      130007921364

    • ISSN
      1382-3469, 2188-1650
    • Year and Date
      2020-10-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Prediction of Face-Centered Cubic Single-Phase Formation for Non-Equiatomic Cr–Mn–Fe–Co–Ni High-Entropy Alloys Using Valence Electron Concentration and Mean-Square Atomic Displacement2020

    • Author(s)
      Niitsu Kodai、Asakura Makoto、Yuge Koretaka、Inui Haruyuki
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 61 Issue: 9 Pages: 1874-1880

    • DOI

      10.2320/matertrans.MT-M2020144

    • NAID

      130007890400

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2020-09-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Accurate Prediction of Potential Energy Surface via Thermodynamically Equilibrium Structure2020

    • Author(s)
      K. Yuge
    • Journal Title

      Transactions of the Materials Research Society of Japan

      Volume: 45 Issue: 4 Pages: 139-141

    • DOI

      10.14723/tmrsj.45.139

    • NAID

      130007884011

    • ISSN
      1382-3469, 2188-1650
    • Year and Date
      2020-08-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Dislocation Emission from Grain Boundaries in High-Entropy Alloys: Influence of Atomic Composition at Grain Boundaries2020

    • Author(s)
      K. Shiotani, T. Niiyama, T. Shimokawa
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 61 Issue: 7 Pages: 1272-1279

    • DOI

      10.2320/matertrans.Z-M2020819

    • NAID

      130007864136

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2020-07-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Non-Basal Dislocation Nucleation Site of Solid Solution Magnesium Alloy2020

    • Author(s)
      H. Somekawa, D. A. Basha, A. Singh, T. Tsuru, M. Yamaguchi
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 61 Issue: 6 Pages: 1172-1175

    • DOI

      10.2320/matertrans.MT-M2020040

    • NAID

      130007846148

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2020-06-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Dislocation Emission from Grain Boundaries in High-Entropy Alloys: Influence of Atomic Compositions at Grain Boundaries2020

    • Author(s)
      SHIOTANI Kohei、NIIYAMA Tomoaki、SHIMOKAWA Tomotsugu
    • Journal Title

      Journal of the Society of Materials Science, Japan

      Volume: 69 Issue: 2 Pages: 141-148

    • DOI

      10.2472/jsms.69.141

    • NAID

      130007800421

    • ISSN
      0514-5163, 1880-7488
    • Year and Date
      2020-02-15
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electronic origin of grain boundary segregation of Al, Si, P, and S in bcc-Fe: Combined analysis of ab initio local energy and crystal orbital Hamilton population2020

    • Author(s)
      K. Ito, H. Sawada, S. Tanaka, S. Ogata and M. Kohyama
    • Journal Title

      Modelling and Simulation in Materials Science and Engineering

      Volume: 29 Issue: 1 Pages: 015001-015001

    • DOI

      10.1088/1361-651x/abc04c

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Special Microscopic-States-Basis Representation of Macroscopic Structure for Discrete Thermodynamic Systems2020

    • Author(s)
      K. Yuge, R. Miyake, S. Ohta
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 89 Issue: 9 Pages: 094803-094803

    • DOI

      10.7566/jpsj.89.094803

    • NAID

      40022344966

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Unique universal scaling in nanoindentation pop-ins2020

    • Author(s)
      Sato Yuji、Shinzato Shuhei、Ohmura Takahito、Hatano Takahiro、Ogata Shigenobu
    • Journal Title

      Nature Communications

      Volume: 11 Issue: 1 Pages: 4177-4177

    • DOI

      10.1038/s41467-020-17918-7

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Hydrogen-Enhanced Vacancy Diffusion in Metals2020

    • Author(s)
      Du Jun-Ping、Geng W. T.、Arakawa Kazuto、Li Ju、Ogata Shigenobu
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 11 Issue: 17 Pages: 7015-7020

    • DOI

      10.1021/acs.jpclett.0c01798

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Tropical Limit for Configurational Geometry in Discrete Thermodynamic Systems2020

    • Author(s)
      K. Yuge, S. Ohta
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 89 Issue: 8 Pages: 084802-084802

    • DOI

      10.7566/jpsj.89.084802

    • NAID

      210000158361

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Hydrogen-accelerated spontaneous microcracking in high-strength aluminium alloys2020

    • Author(s)
      Tsuru Tomohito、Shimizu Kazuyuki、Yamaguchi Masatake、Itakura Mitsuhiro、Ebihara Kenichi、Bendo Artenis、Matsuda Kenji、Toda Hiroyuki
    • Journal Title

      Scientific Reports

      Volume: 10 Issue: 1 Pages: 1998-1998

    • DOI

      10.1038/s41598-020-58834-6

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics study2020

    • Author(s)
      T. Suzudo, K. Ebihara, T. Tsuru
    • Journal Title

      AIP Advances

      Volume: 10 Issue: 11 Pages: 115209-115209

    • DOI

      10.1063/5.0026659

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Transition of dominant deformation mode in bulk polycrystalline pure Mg by ultra-grain refinement down to sub-micrometer2020

    • Author(s)
      R. Zheng, J. P. Du, S. Gao, H. Somekawa, S. Ogata, N. Tsuji
    • Journal Title

      Acta Materialia

      Volume: 198 Pages: 35-46

    • DOI

      10.1016/j.actamat.2020.07.055

    • NAID

      120006888479

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] The possible transition mechanism for the meta-stable phase in the 7xxx aluminium2020

    • Author(s)
      A. Bendo, K. Matsuda, K. Nishimura, N. Nunomura, T. Tsuchiya, Seungwon Lee, Calin D. Marioara, Tomohito Tsuru, Masatake Yamaguchi, Kazuyuki Shimizu, Hiroyuki Toda
    • Journal Title

      Materials Science and Technology

      Volume: 36 Issue: 15 Pages: 1621-1627

    • DOI

      10.1080/02670836.2020.1821323

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Change in damping capacity arising from twin-boundary segregation in solid-solution magnesium alloys2020

    • Author(s)
      H. Somekawa, D. A. Basha, A. Singh, T. Tsuru, H. Watanabe
    • Journal Title

      Philosophical Magazine Letters

      Volume: 100 Issue: 10 Pages: 494-505

    • DOI

      10.1080/09500839.2020.1805132

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Fatigue Properties of SUS316LN Stainless Steel Sheet with Heterogeneous Nano-structure Developed by Heavy Cold Rolling2020

    • Author(s)
      小林正和, 岩間翔平, 渡邊千尋, 青柳吉輝, 三浦博己
    • Journal Title

      Tetsu-to-Hagane

      Volume: 106 Issue: 7 Pages: 507-516

    • DOI

      10.2355/tetsutohagane.TETSU-2019-130

    • NAID

      130007866392

    • ISSN
      0021-1575, 1883-2954
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Reduction of dislocation, mean free path, and migration barriers by high entropy alloy: insights from atomistic study of irradiation damage of CoNiCrFeMn2020

    • Author(s)
      Y. Li, R. Li, Q. peng, S. Ogata
    • Journal Title

      Nanotechnology

      Volume: 31 Issue: 42 Pages: 425701-425701

    • DOI

      10.1088/1361-6528/ab9cf5

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Characterization of Heterogeneous-nano Structure in Austenitic Stainless Steel: Crystal Orientations and Hardness Distribution2020

    • Author(s)
      N. Koga, S. Suzuki, H. Jiang, C. Watanabe, Y. Aoyagi, M. Kobayashi, H. Miura
    • Journal Title

      Journal of Materials Science

      Volume: 55 Issue: 22 Pages: 9299-9310

    • DOI

      10.1007/s10853-020-04643-1

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Anomalous solution softening by unique energy balance mediated by kink mechanism in tungsten-rhenium alloys2020

    • Author(s)
      Tsuru Tomohito、Wakeda Masato、Suzudo Tomoaki、Itakura Mitsuhiro、Ogata Shigenobu
    • Journal Title

      Journal of Applied Physics

      Volume: 127 Issue: 2 Pages: 025101-025101

    • DOI

      10.1063/1.5131279

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Synergistic effect of lattice strain and Co doping on enhancing thermal stability in Fe16N2 thin film with high magnetization2020

    • Author(s)
      Wang Lei、Feng Chun、Cao Mi-Dan、Meng Fei、Li Yu-Kun、Yin Jian-Juan、Li Bao-He、Ogata Shigenobu、Geng Wen-Tong、Yu Guang-Hua
    • Journal Title

      Journal of Magnetism and Magnetic Materials

      Volume: 495 Pages: 165873-165873

    • DOI

      10.1016/j.jmmm.2019.165873

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] マグネシウムの延性・靭性向上のための合金設計:第一原理計算からのアプローチ2020

    • Author(s)
      都留智仁
    • Journal Title

      軽金属

      Volume: 1

    • NAID

      130008052396

    • Related Report
      2019 Annual Research Report
  • [Journal Article] Phase transformation assisted twinning in a face-centered-cubic FeCrNiCoAl high entropy alloy2019

    • Author(s)
      Yu Peijun、Feng Rui、Du Junping、Shinzato Shuhei、Chou Jyh-Pin、Chen Bilin、Lo Yu-Chieh、Liaw Peter K.、Ogata Shigenobu、Hu Alice
    • Journal Title

      Acta Materialia

      Volume: 181 Pages: 491-500

    • DOI

      10.1016/j.actamat.2019.10.012

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Structural relaxation affecting shear-transformation avalanches in metallic glasses2019

    • Author(s)
      Niiyama Tomoaki、Wakeda Masato、Shimokawa Tomotsugu、Ogata Shigenobu
    • Journal Title

      Physical Review E

      Volume: 100 Issue: 4 Pages: 043002-043002

    • DOI

      10.1103/physreve.100.043002

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Controlled growth of single-crystalline metal nanowires via thermomigration across a nanoscale junction2019

    • Author(s)
      Xie De-Gang、Nie Zhi-Yu、Shinzato Shuhei、Yang Yue-Qing、Liu Feng-Xian、Ogata Shigenobu、Li Ju、Ma Evan、Shan Zhi-Wei
    • Journal Title

      Nature Communications

      Volume: 10 Issue: 1 Pages: 4478-4478

    • DOI

      10.1038/s41467-019-12416-x

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Bidirectional-Stability Breaking in Thermodynamic Average for Classical Discrete Systems2019

    • Author(s)
      Yuge Koretaka、Ohta Shouno
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 88 Issue: 10 Pages: 104803-104803

    • DOI

      10.7566/jpsj.88.104803

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Atomistic prediction of the temperature- and loading-rate-dependent first pop-in load in nanoindentation2019

    • Author(s)
      Sato Yuji、Shinzato Shuhei、Ohmura Takahito、Ogata Shigenobu
    • Journal Title

      International Journal of Plasticity

      Volume: 121 Pages: 280-292

    • DOI

      10.1016/j.ijplas.2019.06.012

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Microscopic Geometry Rules Ordering Tendency for Multicomponent Disordered Alloys2019

    • Author(s)
      Yuge Koretaka、Ohta Shouno
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 88 Issue: 5 Pages: 054803-054803

    • DOI

      10.7566/jpsj.88.054803

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Anharmonicity in Structural Degree of Freedom:A Central Key fidirectional Stability in Thermodynamic Average2019

    • Author(s)
      K. Yuge, S. Ohta, T. Setoyama, R. Miyake
    • Journal Title

      AMTC letters

      Volume: 6 Pages: 232-233

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Efficient Construction of Special Microscopic States for Thermodynamically Equilibrium State Based on Singular Value Decomposition2019

    • Author(s)
      R. Miyake, S. Ohta, K. Yuge
    • Journal Title

      AMTC letters

      Volume: 6 Pages: 162-163

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Systematic, Exact Formulation of Multivariate Moments for Configurational Geometry in Crystalline Solids2019

    • Author(s)
      S. Ohta, K. Yuge
    • Journal Title

      AMTC letters

      Volume: 6 Pages: 234-235

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] An atomistically informed kinetic Monte Carlo model for predicting solid solution strengthening of body-centered cubic alloys2019

    • Author(s)
      Shuhei Shinzato, Masato Wakeda, Shigenobu Ogata
    • Journal Title

      International Journal of Plasticity

      Volume: 印刷中 Pages: 319-337

    • DOI

      10.1016/j.ijplas.2019.03.004

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Temperature-dependent nucleation kinetics of Guinier-Preston zones in Al-Cu alloys: An atomistic kinetic Monte Carlo and classical nucleation theory approach2019

    • Author(s)
      Miyoshi Hiroshi、Kimizuka Hajime、Ishii Akio、Ogata Shigenobu
    • Journal Title

      Acta Materialia

      Volume: 179 Pages: 262-272

    • DOI

      10.1016/j.actamat.2019.08.032

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Mechanism of Hardening and Damage Initiation in Oxygen Embrittlement of Body-Centred-Cubic Niobium2019

    • Author(s)
      Ping-Jiong Yang, Qing-Jie Li, Tomohito Tsuru, Shigenobu Ogata, Jie-Wen Zhang, Hong-Wei Sheng, Zhi-Wei Shan, Gang Sha, Wei-Zhong Han, Ju Li, Evan Ma
    • Journal Title

      Acta Materialia

      Volume: 168 Pages: 331-342

    • DOI

      10.1016/j.actamat.2019.02.030

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Modeling of twinning-induced plasticity of high entropy alloy based on crystal plasticity2019

    • Author(s)
      T. Tsukuda, Y. Aoyagi
    • Journal Title

      Proceedings of the 10th Pacific Rim International Conference on Advanced Materials and Processing

      Volume: - Pages: 866-871

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Multiscale simulation based on macroscopic deformation model predicted by microstructure information of ultrafine-grained metals2019

    • Author(s)
      Y.Aoyagi, A. Sagara, C. Watanabe, M. Kobayashi, Y. Todaka, H. Miura
    • Journal Title

      Proceedings of the 10th Pacific Rim International Conference on Advanced Materials and Processing

      Volume: - Pages: 879-885

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Single Microscopic State to Characterize Ordering Tendency in Discrete Multicomponent Systems2019

    • Author(s)
      Koretaka Yuge, and Shouno Ohta
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 88 Issue: 4 Pages: 044803-044803

    • DOI

      10.7566/jpsj.88.044803

    • NAID

      40021866845

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Exact Formulation of Moments for Density of States on Multisite Correlation Function under Constant Composition2019

    • Author(s)
      Shouno Ohta, and Koretaka Yuge
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 88 Issue: 3 Pages: 034802-034802

    • DOI

      10.7566/jpsj.88.034802

    • NAID

      210000135147

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Origin of serrated flow in bulk metallic glasses2019

    • Author(s)
      Xie Xie、Lo Yu-Chieh、Tong Yang、Qiao Junwei、Wang Gongyao、Ogata Shigenobu、Qi Hairong、Dahmen Karin A.、Gao Yanfei、Liaw Peter K.
    • Journal Title

      Journal of the Mechanics and Physics of Solids

      Volume: 124 Pages: 634-642

    • DOI

      10.1016/j.jmps.2018.11.015

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Heterogeneous Nano-structure and Its Evolution in Heavily Cold-rolled SUS316LN Stainless Steels2019

    • Author(s)
      渡邊千尋, 小林秀平, 青柳吉輝, 戸髙義一, 小林正和, 杉浦夏子, 吉永直樹, 三浦博己
    • Journal Title

      Tetsu-to-Hagane

      Volume: 105 Issue: 2 Pages: 254-261

    • DOI

      10.2355/tetsutohagane.TETSU-2018-075

    • NAID

      130007585467

    • ISSN
      0021-1575, 1883-2954
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Crystal Plasticity Simulation on Effect of Heterogeneous-nanostructure Induced by Severe Cold-rolling on Mechanical Properties of Austenitic Stainless Steel2019

    • Author(s)
      青柳吉輝, 渡邊千尋, 小林正和, 戸髙義一, 三浦博己
    • Journal Title

      Tetsu-to-Hagane

      Volume: 105 Issue: 2 Pages: 262-271

    • DOI

      10.2355/tetsutohagane.TETSU-2018-078

    • NAID

      130007585405

    • ISSN
      0021-1575, 1883-2954
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Fatigue Fracture of Duplex Stainless Steel with Heterogeneous Nanostructure by Heavy Cold Rolling2019

    • Author(s)
      山崎恭和, 小林正和, 戸髙義一, 渡邊千尋, 青柳吉輝, 三浦博己
    • Journal Title

      Tetsu-to-Hagane

      Volume: 105 Issue: 2 Pages: 272-281

    • DOI

      10.2355/tetsutohagane.TETSU-2018-080

    • NAID

      130007585402

    • ISSN
      0021-1575, 1883-2954
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Hydrogen embrittlement controlled by reaction of dislocation with grain boundary in alpha-iron2019

    • Author(s)
      Wan Liang、Geng Wen Tong、Ishii Akio、Du Jun-Ping、Mei Qingsong、Ishikawa Nobuyuki、Kimizuka Hajime、Ogata Shigenobu
    • Journal Title

      International Journal of Plasticity

      Volume: 112 Pages: 206-219

    • DOI

      10.1016/j.ijplas.2018.08.013

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Incorporating a soft ordered phase into an amorphous configuration enhances its uniform plastic deformation under shear2019

    • Author(s)
      Gao Guo-Jie J.、Wang Yun-Jiang、Ogata Shigenobu
    • Journal Title

      AIP Advances

      Volume: 9 Issue: 1 Pages: 015329-015329

    • DOI

      10.1063/1.5064499

    • NAID

      120006552071

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Crystal Plasticity Simulation Considering Microstructures of Austenitic Stainless Steel on Macroscopic Yield Function2018

    • Author(s)
      Yoshiteru Aoyagi, Atsushi Sagara, Chihiro Watanabe, Masakazu Kobayashi, Yoshikazu Todaka and Hiromi Miura
    • Journal Title

      Materials Science Forum

      Volume: 941 Pages: 212-217

    • DOI

      10.4028/www.scientific.net/msf.941.212

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A free energy landscape perspective on the nature of collective diffusion in amorphous solids2018

    • Author(s)
      Wang Yun-Jiang、Du Jun-Ping、Shinzato Shuhei、Dai Lan-Hong、Ogata Shigenobu
    • Journal Title

      Acta Materialia

      Volume: 157 Pages: 165-173

    • DOI

      10.1016/j.actamat.2018.07.029

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] トロピカル極限から見る統計力学の非線型性2021

    • Author(s)
      弓削是貴
    • Organizer
      日本物理学会2021年年次大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] BCCハイエントロピー合金における短距離秩序と転位構造の第一原理計算2021

    • Author(s)
      都留智仁,イバンロブゼンコ,弓削是貴,青柳吉輝,下川智嗣,久保百司,尾方成信
    • Organizer
      金属学会2021年春期(第168回)講演大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Tailoring local structure of high entropy alloys to overcome the strength-ductility trade-off2021

    • Author(s)
      魏代修,都留智仁,岡本範彦,市坪哲,加藤秀実
    • Organizer
      金属学会2021年春期(第168回)講演大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 金属積層造形による新規低放射化ハイエントロピー合金の開発2021

    • Author(s)
      橋本直幸,礒部繁人,岡弘,林重成,上田幹人,山下真一郎,板倉充洋,都留智仁
    • Organizer
      金属学会2021年春期(第168回)講演大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] BCC 鉄におけるへき開面と転位の射出 -分子動力学シミュレーション-2021

    • Author(s)
      鈴土知明,海老原健一,都留智仁
    • Organizer
      金属学会2021年春期(第168回)講演大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 真空と水環境におけるFeNiCrCoMo系ハイエントロピー合金の応力割れプロセスの分子動力学シミュレーション2021

    • Author(s)
      劉暢,陳茜,王楊,大谷優介,尾澤伸樹,久保百司
    • Organizer
      日本金属学会第168回講演大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] ハイエントロピー合金の圧延加工組織に関する結晶塑性FEM解析2021

    • Author(s)
      青柳吉輝, 小林亮太, 都留智仁, 弓削是貴, 下川智嗣, 久保百司, 尾方成信
    • Organizer
      日本金属学会2021年春期講演大会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 微細組織情報に基づいた力学特性予測に関する結晶塑性シミュレーション2021

    • Author(s)
      青柳吉輝
    • Organizer
      日本材料学会高温強度部門委員会講演会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 合金の自由エネルギーを特徴づける特殊な原子配置の構築2020

    • Author(s)
      三宅遼吾,杉江昴,弓削是貴
    • Organizer
      日本金属学会2020年秋期大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 合金の微視的構造と多体相互作用の対応:非線型性の観点から2020

    • Author(s)
      弓削是貴
    • Organizer
      日本物理学会2020年秋季大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] ハイエントロピー合金の積層欠陥エネルギーに関する結晶塑性論的検討2020

    • Author(s)
      森茂樹, 青柳吉輝
    • Organizer
      第6回材料WEEK 材料シンポジウム ワークショップ
    • Related Report
      2020 Annual Research Report
  • [Presentation] ハイエントロピー合金の粒界偏析が転位放出にもたらす影響2020

    • Author(s)
      塩谷光平, 新山友暁, 下川智嗣
    • Organizer
      日本金属学会2020年秋期第167回講演大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] ヘテロナノ組織オーステナイト鋼の変形機構の検討2020

    • Author(s)
      姜華, 渡邊千尋, 宮嶋陽司, 古賀紀光, 青柳吉輝, 小林正和, 三浦博己
    • Organizer
      日本金属学会2020年秋期(第167回)大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] ヘテロナノ組織二相ステンレス鋼の応力分配挙動2020

    • Author(s)
      鈴木慎也, 姜華, 渡邊千尋, 古賀紀光, 宮嶋陽司, 青柳吉輝, 小林正和, 三浦博己
    • Organizer
      日本金属学会2020年秋期(第167回)大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] First-principles calculations of dislocation core structure in BCC-HEAs2020

    • Author(s)
      T. Tsuru
    • Organizer
      SNA+MC2020
    • Related Report
      2020 Annual Research Report
  • [Presentation] 計算科学シミュレーションによるハイエントロピー合金の応力腐食割れ現象の解明と材料設計2020

    • Author(s)
      久保百司
    • 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・材料化学研究会令和2年度合同講演会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 高強度アルミニウム合金の水素誘起自発的破壊現象の解明:実験と計算科学からのアプローチ2020

    • Author(s)
      都留智仁, 山口正剛, 板倉充洋, 海老原健一,清水一行, Artenis Bendo, 松田健二,戸田裕之
    • Organizer
      軽金属学会第139回秋期大会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 金属微視的組織情報に基づく巨視的力学特性予測に関する結晶塑性シミュレーション2020

    • Author(s)
      青柳吉輝
    • Organizer
      日本機械学会東北支部第56期秋季講演会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 計算材料科学によるハイエントロピー合金の力学特性の解明2020

    • Author(s)
      尾方成信、都留智仁、下川智嗣、久保百司、青柳吉輝、弓削是貴
    • Organizer
      日本金属学会2020年秋期講演会大会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金における応力腐食割れの反応分子動力学シミュレーション2020

    • Author(s)
      久保百司
    • Organizer
      日本金属学会2020年秋期講演大会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] マルテンサイト変態誘起塑性モデリング2020

    • Author(s)
      青柳吉輝
    • Organizer
      日本金属学会2020年秋期(第167回)大会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Relationship between the development of lattice defects and mechanical properties in solid materials through atomic simulations2020

    • Author(s)
      下川智嗣
    • Organizer
      九州大学マス・フォア・インダストリ研究所 On-line 研究会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Stress Corrosion Cracking Mechanism of FCC Type High-entropy Alloys Structural Materials under High Temperature Pressurized Water Environment by Molecular Dynamics Simulation2020

    • Author(s)
      C. Liu, Q. Chen, Y. Wang, N. Miyazaki, Y. Ootani, N. Ozawa, M. Kubo
    • Organizer
      TMS 2020 149th Annual Meeting & Exhibition
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 原子・電子論的研究に基づく金属材料の力学特性に及ぼす欠陥組織と合金化の影響評価2020

    • Author(s)
      都留智仁
    • Organizer
      第4回元素戦略プロジェクト連携シンポジウム ~産学連携研究新展開~
    • Related Report
      2019 Annual Research Report
  • [Presentation] Multiscale crystal plasticity modeling on martensitic transformation based on mixture law2020

    • Author(s)
      Y. Aoyagi, D. McDowell
    • Organizer
      International Conference on Plasticity, Damage and Fracture (ICPDF) 2020
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Atomistic modeling of the temperaute and loading rate dependent pop-in load in nanoindentation2020

    • Author(s)
      S. Ogata, S. Shinzato, Y. Sato, Takahito Ohmura
    • Organizer
      International Conference on Plasticity, Damage and Fracture (ICPDF) 2020
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] BCC合金の転位運動に基づく変形機構と力学特性:第一原理計算と力学モデルによる解析2020

    • Author(s)
      都留智仁
    • Organizer
      第10回プラストンに基づく変形現象研究会 ~BCC金属の特異な力学特性~
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 原子・電子シミュレーションを用いた欠陥挙動に基づく力学特性2020

    • Author(s)
      都留智仁
    • Organizer
      スパコンプロフェッショナルNo.27
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Bidirectional Stability Breaking in Thermodynamic Average for Multicomponent Alloys2019

    • Author(s)
      K. Yuge
    • Organizer
      Materials Research Meeting 2019
    • Related Report
      2019 Annual Research Report
  • [Presentation] Reactive Molecular Dynamics Simulation of Intergranular Stress Corrosion Cracking Process of FeNiCr Based High Entropy Alloy2019

    • Author(s)
      N. Miyazaki, C. Liu, Q. Chen, M. Kubo
    • Organizer
      Materials Research Meeting 2019
    • Related Report
      2019 Annual Research Report
  • [Presentation] Temperature Dependent Grain Boundary Segregation in BCC-Fe A Grand Canonical Monte Carlo - Molecular Dynamics Hybrid Study2019

    • Author(s)
      R. P. Campos, S. Shinzato, A. Ishii, S. Ogata
    • Organizer
      Materials Research Meeting 2019
    • Related Report
      2019 Annual Research Report
  • [Presentation] Influence of Atomic Size Defference on Dislocation Emission from Grain Boundaries in High Entropy Alloys2019

    • Author(s)
      K. Shiotani, T. Niiyama, T. Shimokawa
    • Organizer
      Materials Research Meeting 2019
    • Related Report
      2019 Annual Research Report
  • [Presentation] Deformation mechanism and mechanical properties of mixed amorphous-crystalline system through atomic simulations2019

    • Author(s)
      T. Shimokawa, K. Shiotani, T. Niiyama
    • Organizer
      Materials Research Meeting 2019
    • Related Report
      2019 Annual Research Report
  • [Presentation] 第一原理計算による転位構造の計算:転位運動に関する特性の評価2019

    • Author(s)
      都留智仁
    • Organizer
      名古屋大学第13回物質科学談話会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Dislocation emission from grain boundaries in high entropy alloys through atomic simulations2019

    • Author(s)
      T. Shimokawa, K. Shiotani, T. Niiyama
    • Organizer
      World Congress on High Entropy Alloys (HEA 2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 原子・電子シミュレーションを用いた欠陥挙動に基づく力学特性の評価2019

    • Author(s)
      都留智仁
    • Organizer
      日本金属学会研究会“微小領域の力学特性評価とマルチスケールモデリング”
    • Related Report
      2019 Annual Research Report
  • [Presentation] 転位芯の局所自由度を有する力学理論に基づく新奇機能の創出2019

    • Author(s)
      都留智仁
    • Organizer
      日本機械学会 M&M2019 材料力学カンファレンス 特別企画
    • Related Report
      2019 Annual Research Report
  • [Presentation] A numerical description of the motion of screw dislocation around solutes in tungsten alloys2019

    • Author(s)
      T. Tsuru, T. Suzudo, M. Itakura, M. Wakeda, S. Ogata
    • Organizer
      The Nineteenth International Conference on Fusion Reactor Materials (ICFRM-19)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 分子動力学法を用いた腐食環境下における FCC 型ハイエントロピー合金の粒界割れメカニズムの検討2019

    • Author(s)
      劉暢,栁澤穂波,陳茜,王楊,宮崎成正,大谷優介,尾澤伸樹,久保百司
    • Organizer
      第5回材料WEEK 材料シンポジウム ワークショップ
    • Related Report
      2019 Annual Research Report
  • [Presentation] オーステナイト鋼におけるヘテロナノ組織形態の影響に関するFEM 解析2019

    • Author(s)
      塚田悠介, 渡邊千尋, 小林正和, 戸高義一, 三浦博己, 青柳吉輝
    • Organizer
      第5回材料WEEK 材料シンポジウム ワークショップ
    • Related Report
      2019 Annual Research Report
  • [Presentation] A grand canonical Monte Carlo - Molecular Dynamics hybrid free energy analysis of grain boundary segregation2019

    • Author(s)
      R. P. Campos, S. Shinzato, A. Ishii, S. Ogata
    • Organizer
      20th International Union of Materials Research Societies International Conference in Asia (IUMRS-ICA) 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ハイエントロピー合金の粒界特性に関する原子シミュレーション2019

    • Author(s)
      下川智嗣, 新山友暁,塩谷光平
    • Organizer
      日本金属学会2019年秋期講演大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 微細粒アルミニウムの微視組織情報に基づく巨視的降伏挙動に関する検討2019

    • Author(s)
      小林亮太, 相樂篤志, 青柳吉輝
    • Organizer
      日本機械学会第32回計算力学講演会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Reactive Molecular Dynamics Simulation of Crack Propagation Process of High Entropy Alloy under Pressurized High Temperature Water2019

    • Author(s)
      N. Miyazaki, C. Liu, Q. Chen, H. Yanagisawa, Y. Ootani, N. Ozawa, M. Kubo
    • Organizer
      The 10th Pacific Rim International Conference on Advance Materials and Processing
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Modeling of twinning-induced plasticity of high entropy alloy based on crystal plasticity2019

    • Author(s)
      T. Tsukuda, Y. Aoyagi
    • Organizer
      The 10th Pacific Rim International Conference on Advance Materials and Processing
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Atomistic study on grain boundary free energy of substitutional alloy using grand canonical Monte Carlo method2019

    • Author(s)
      S. Shinzato, S. Ogata
    • Organizer
      The 12th International Workshop on Materials Behavior at the Micro- and Nano-scale
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Deformation mechanism and mechanical properties of y system through atomic simulations2019

    • Author(s)
      T. Shimokawa and T. Niiyama
    • Organizer
      The 4th International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics (ISAM4-2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-principles modeling for dislocation motion of HEA alloys2019

    • Author(s)
      T. Tsuru, M. Itakura, K. Yuge, Y. Aoyagi, T. Shimokawa, M. Kubo, S. Ogata
    • Organizer
      The 4th International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics (ISAM4-2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Multiscale crystal plasticity simulation based on fatigue indicator parameters on ultrafine-grained metals2019

    • Author(s)
      Y. Aoyagi, D. McDowell
    • Organizer
      5th World Congress on Integrated Computational Materials Engineering
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Work hardening by grain boundary transformation in multilayer nanopillars2019

    • Author(s)
      T. Shimokawa, T. Niiyama, K. Higashida
    • Organizer
      Intergranular and interphase boundaries in materials
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Anharmonicity in Structural Degree of Freedom: A Central Key for Bidirectional Stability in Thermodynamic Average2019

    • Author(s)
      K. Yuge
    • Organizer
      The 6th International Symposium on Advanced Microscopy and Theoretical Calculations
    • Related Report
      2019 Annual Research Report
  • [Presentation] Efficient Construction of Special Microscopic States for Thermodynamically Equilibrium State Based on Singular Value Decomposition2019

    • Author(s)
      R. Miyake, S. Ohta and K. Yuge
    • Organizer
      The 6th International Symposium on Advanced Microscopy and Theoretical Calculations
    • Related Report
      2019 Annual Research Report
  • [Presentation] Systematic, Exact Formulation of Multivariate Moments for Configurational Geometry in Crystalline Solids2019

    • Author(s)
      S. Ohta and K. Yuge
    • Organizer
      The 6th International Symposium on Advanced Microscopy and Theoretical Calculations
    • Related Report
      2019 Annual Research Report
  • [Presentation] An atomistic modeling of solute segregation in substitutional alloys using database-driven Monte Carlo method2019

    • Author(s)
      S. Shinzato, E. Kasuya, S. Ogata
    • Organizer
      13th International Conference on the Mechanical Behavior of Materials (ICM13)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Atomistic prediction of temperature‐ and loading‐rate‐dependent pop‐in load of nanoindentation2019

    • Author(s)
      S. Ogata
    • Organizer
      13th International Conference on the Mechanical Behavior of Materials (ICM13)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] FCC型FeNiCr系ハイエントロピー合金の応力腐食割れプロセスの分子動力学シミュレーション2019

    • Author(s)
      劉暢,陳茜,王楊,宮崎成正,大谷優介,尾澤伸樹,久保百司
    • Organizer
      コンピュータ化学会2019年春季年会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 画像処理モデリングに基づくDP 鋼マルテンサイト組織形状に関するFEM 解析2019

    • Author(s)
      塚田悠介, 椿翔太, 黒澤瑛介, 青柳吉輝
    • Organizer
      日本材料学会第68期学術講演会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 高エントロピー合金の自己拡散の分子動力学解析2019

    • Author(s)
      沈沢奇,J. -P. Du,尾方成信
    • Organizer
      第4回マルチスケール材料力学シンポジウム
    • Related Report
      2019 Annual Research Report
  • [Presentation] ハイエントロピー合金の粒界に関する原子シミュレーション2019

    • Author(s)
      塩谷光平,新山友暁,下川智嗣
    • Organizer
      第4回マルチスケール材料力学シンポジウム
    • Related Report
      2019 Annual Research Report
  • [Presentation] Multiscale modeling study of pop-ins in nanoindentation2019

    • Author(s)
      S. Ogata
    • Organizer
      Asia Pacific Congress on Computational Mechanics (APCOM) 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Molecular Dynamics Simulation on Intergranular Cracking Mechanism of FCC Type High-Entropy Alloys Structural Materials in High-Temperature Pressurized Water Environment2019

    • Author(s)
      C. Liu, Q. Chen, Y. Wang, N. Miyazaki, Y. Ootani, N. Ozawa, M. Kubo
    • Organizer
      EMN Hong Kong Meeting 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Modeling and simulation of defect and defect behavior in high entropy alloys2019

    • Author(s)
      S. Ogata
    • Organizer
      Materials Research Meeting 2019 (MRS fall meeting 2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Multiscale simulation based on macroscopic deformation model predicted by microstructure information of ultrafine-grained metals2019

    • Author(s)
      Y. Aoyagi, A. Sagara, C. Watanabe, M. Kobayashi, Y. Todaka, H. Miura
    • Organizer
      The 10th Pacific Rim International Conference on Advanced Materials and Processing (PRICM-10)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] First-principles predictions of dislocation motion in high-entropy alloys2019

    • Author(s)
      T. Tsuru, M. Itakura, K. Yuge, Y. Aoyagi, T. Shimokawa, M. Kubo, S. Ogata
    • Organizer
      The 10th Pacific Rim International Conference on Advanced Materials and Processing (PRICM-10)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Atomistic prediction of the temperature- and loading-rate-dependent pop-in load in nanoindentation2019

    • Author(s)
      S. Ogata, Y. Sato, T. Ohmura and S. Shinzato
    • Organizer
      The 4th International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics (ISAM4-2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Ab-initio based multiscale modeling of formation kinetics of nano-precipitates in Al-Cu alloys2019

    • Author(s)
      H. Kimizuka, H. Miyoshi, A. Ishii, and S. Ogata
    • Organizer
      The 6th Korea Multi-scale Mechanics Symposium (KMSM2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] First-principles calculations of the motion of screw dislocation around solutes in W alloys2019

    • Author(s)
      T. Tsuru, T. Suzudo
    • Organizer
      6th FMTCP Workshop
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Modeling of pop-ins in nanoindentation2019

    • Author(s)
      S. Ogata, T. Ohmura, Y. Sato, S. Shinzato
    • Organizer
      Materials Research Meeting 2019
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] First-principles calculations of dislocation core structure and motion in high entropy alloys2019

    • Author(s)
      T. Tsuru
    • Organizer
      The 11th Korea-Japan-Berkeley symposium
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金の力学特性のモデリングとシミュレーション2019

    • Author(s)
      尾方成信
    • Organizer
      日本金属学会シンポジウム「ハイエントロピー合金の材料科学」
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金の微視的構造と多体相互作用の幾何学的考察2019

    • Author(s)
      弓削是貴
    • Organizer
      日本金属学会2019年秋期(第165回)講演大会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算による転位運動と温度に依存した変形機構の研究2019

    • Author(s)
      弓削是貴
    • Organizer
      日本金属学会2019年秋期(第165回)講演大会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算によるハイエントロピー合金の転位構造と運動に関する研究2019

    • Author(s)
      都留智仁・弓削是貴・青柳吉輝・下川智嗣・久保百司・尾方成信
    • Organizer
      日本金属学会2019年秋期(第165回)講演大会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金の粒界特性に関する原子シミュレーション2019

    • Author(s)
      下川智嗣, 新山友暁,塩谷光平
    • Organizer
      日本金属学会2019年秋期(第165回)講演大会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] First Principles Modeling on Radiation Defects in W and W-based Alloys2019

    • Author(s)
      T. Suzudo and T. Tsuru
    • Organizer
      4th International Workshop on Models and Data for Plasma-Material Interaction in Fusion Devices (MoD-PMI 2019)
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 多軸鍛造加工を施したCP-Tiの変形挙動の結晶粒径依存性とひずみ速度依存性2019

    • Author(s)
      山本晶太, 渡邊千尋, 門前亮一, 都留智仁, 三浦博己
    • Organizer
      日本金属学会2019年春期(第164回)講演大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 熱力学的平衡状態での多元系合金の構造を特徴付ける特殊な微視的状態2019

    • Author(s)
      弓削是貴
    • Organizer
      日本金属学会2019年春期(第164回)講演大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 混合則を用いた双晶誘起塑性モデリングおよび結晶塑性シミュレーション2019

    • Author(s)
      附田拓也, 青柳吉輝
    • Organizer
      日本金属学会2019年春期(第164回)講演大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] The Effect of the Al2O3 Film on Stress Corrosion Cracking of the Ni-Al Alloy in High Temperature and Pressure Water Analyzed by Molecular Dynamics Simulation2019

    • Author(s)
      H. Yanagisawa, Q. Chen, N. Miyazaki, Y. Ootani, N. Ozawa and M. Kubo
    • Organizer
      43rd International Conference and Expo on Advanced Ceramics and Composites
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Multiscale Crystal Plasticity Modeling on Twinning of Hetero-Nanostructured Stainless Steels2019

    • Author(s)
      Y. Aoyagi, C. Watanabe, M. Kobayashi, Y. Todaka and H. Miura
    • Organizer
      International Symposium on Plasticity, Damage, and Fracture 2019, (ICPDF 2019)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] HYDROGEN AND DISLOCATION ASSISTED GRAIN BOUNDARY CRACK INITIATION ~ A MOLECULAR DYNAMICS STUDY ~2019

    • Author(s)
      Shigenobu Ogata
    • Organizer
      International Symposium on Plasticity, Damage, and Fracture 2019, (ICPDF 2019)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 結晶・非晶質混在構造の変形と強度に関する原子シミュレーション2019

    • Author(s)
      下川智嗣, 新山友暁
    • Organizer
      日本金属学会2019年春期(第164回)講演大会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 六方晶合金の特異なすべり特性と合金元素の影響に関する研究2019

    • Author(s)
      都留智仁, 山口正剛, 板倉充洋, D.C. Chrzan
    • Organizer
      日本金属学会2019年春期(第164回)講演大会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 欠陥挙動に基づく構造材料の力学特性と合金開発 ~原子・電子シミュレーション~2019

    • Author(s)
      都留智仁
    • Organizer
      日本鉄鋼協会 材料の組織と特性部会 第二回研究会フォーラム
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金の物性の原子シミュレーション2019

    • Author(s)
      尾方成信
    • Organizer
      日本学術振興会材料の微細組織と機能性第133委員会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 原子シミュレーションによる結晶と非晶質の混在組織における力学特性解析2018

    • Author(s)
      園田郁未,新山友暁,下川智嗣
    • Organizer
      日本機械学会M&M2018材料力学カンファレンス
    • Related Report
      2018 Annual Research Report
  • [Presentation] Ti合金の変形モード変化に対する合金元素の影響:第一原理計算2018

    • Author(s)
      都留智仁, 山口正剛, 板倉充洋
    • Organizer
      日本機械学会M&M2018材料力学カンファレンス
    • Related Report
      2018 Annual Research Report
  • [Presentation] 配位空間上の幾何学と平衡状態の巨視的性質2018

    • Author(s)
      大田将之, 弓削是貴
    • Organizer
      第28回日本MRS年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] ハイエントロピー合金化に対する構成元素の原子半径比の影響:2体間相互作用の分子動力学シミュレーション2018

    • Author(s)
      塩谷光平,新山友暁,下川智嗣
    • Organizer
      日本機械学会第31回計算力学講演会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Large-Scale Reactive Molecular Dynamics Analysis for the Intergranular Stress Corrosion Cracking Mechanism on Titanium under Water Environment2018

    • Author(s)
      N. Miyazaki, Y. Ootani, N. Ozawa and M. Kubo
    • Organizer
      Summit of Materials Science 2018
    • Related Report
      2018 Annual Research Report
  • [Presentation] Effect of solutes on dislocation motion in dilute hcp and bcc alloys2018

    • Author(s)
      T. Tsuru, M. Itakura, M. Yamaguch, T. Suzudo, M. Wakeda, S. Ogata, D. C. Chrzan
    • Organizer
      The 9th international conference on Multiscale Materials Modeling
    • Related Report
      2018 Annual Research Report
  • [Presentation] Development of a Multiscale Simulation System Based on Microstructure of Fine-grained Aluminum2018

    • Author(s)
      A. Sagara and Y. Aoyagi
    • Organizer
      The 9th international conference on Multiscale Materials Modeling
    • Related Report
      2018 Annual Research Report
  • [Presentation] Molecular Dynamics Simulation on Intergranular Cracking Mechanism of Iron Material in High Temperature Pressurized Water Environment2018

    • Author(s)
      Q. Chen, J. Xu, Y. Ootani, N. Ozawa and M. Kubo,
    • Organizer
      The 9th international conference on Multiscale Materials Modeling
    • Related Report
      2018 Annual Research Report
  • [Presentation] Creep mechanisms of nanocrystalline metals at atomic-scale2018

    • Author(s)
      Y. Wang, S. Ogata
    • Organizer
      International Symposium on Atomistic Processes of Crystal Plasticity
    • Related Report
      2018 Annual Research Report
  • [Presentation] 結晶塑性論に基づくマルテンサイト変態誘起塑性モデルの構築2018

    • Author(s)
      附田拓也, 河原木雄介, 岡村一男, 青柳吉輝
    • Organizer
      第4回材料WEEK 材料シンポジウム ワークショップ
    • Related Report
      2018 Annual Research Report
  • [Presentation] BCC合金の機械特性に対する合金元素の影響2018

    • Author(s)
      都留智仁, 鈴土知明, 譯田真人, 尾方成信
    • Organizer
      日本金属学会2018年秋期講演(第163回)大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 1千万原子系大規模分子動力学解析による多結晶チタンの粒界割れメカニズムの検討2018

    • Author(s)
      宮崎成正,大谷優介,尾澤伸樹,久保百司
    • Organizer
      日本金属学会2018年秋期講演(第163回)大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] InP系化合物半導体中のはじき出し閾値エネルギーの材料依存性2018

    • Author(s)
      奥野泰希, 都留智仁, 今泉充
    • Organizer
      応用物理学会2018年第79回
    • Related Report
      2018 Annual Research Report
  • [Presentation] 計算科学に基づく高温・高圧水環境下における鉄鋼材料の粒界破壊メカニズムの検討2018

    • Author(s)
      陳茜,栁澤穂波,宮崎成正,大谷優介,尾澤伸樹,久保百司
    • Organizer
      2018年度精密工学会秋季大会学術講演会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 高温高圧下のNi/Ni3Al整合界面における応力腐食割れメカニズムの分子動力学解析2018

    • Author(s)
      栁澤穂波, 陳茜, 宮崎成正, 大谷優介, 尾澤伸樹, 久保百司
    • Organizer
      2018年度精密工学会秋季大会学術講演会
    • Related Report
      2018 Annual Research Report
  • [Presentation] An Accelerated Molecular Dynamics Study of Yield Stress of Ultrafine-grained Metals2018

    • Author(s)
      Shigenobu Ogata
    • Organizer
      The 13th World Congress in Computational Mechanics (WCCMXIII)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 二原子混合固体材料における組織・強度の原子間ポテンシャル依存性2018

    • Author(s)
      園田郁未,新山友暁,下川智嗣
    • Organizer
      日本材料学会第3回マルチスケール材料力学シンポジウム
    • Related Report
      2018 Annual Research Report
  • [Presentation] 規則・不規則混合固体材料の強さと変形機構の検討2018

    • Author(s)
      原一輝,新山友暁,下川智嗣
    • Organizer
      日本材料学会第3回マルチスケール材料力学シンポジウム
    • Related Report
      2018 Annual Research Report
  • [Presentation] Influence of Interface-mediated plasticity on mechanical properties of nanostructured materials2018

    • Author(s)
      T. Shimokawa
    • Organizer
      7th ESISM Workshop
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] Effect of solutes on dislocation core structure and motion2018

    • Author(s)
      T. Tsuru
    • Organizer
      7th ESISM Workshop
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] Failure Mechanisms of Steels under High Temperature Pressurized Water Environment - A Reactive Molecular Dynamics Study2018

    • Author(s)
      Q. Chen, N. Miyazaki, Y. Ootani, N. Ozawa and M. Kubo
    • Organizer
      Lectures at the State Key Laboratory for Manufacturing System Engineering, School of Mechanical Engineering, Xi'an Jiaotong University, Xi’an
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Universal one to one relation between critical resolved shear stress and mean square atomic displacement in random high entropy alloys2018

    • Author(s)
      Shigenobu Ogata and Wei Wang
    • Organizer
      2018 Materials Research Society (MRS) Fall Meeting & Exhibit
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DFT-based predictions of the effect of solutes on dislocation motion in bcc and hcp alloys2018

    • Author(s)
      T. Tsuru, T. Suzudo, M. Itakura, M. Yamaguch, M. Wakeda, S. Ogata, D. C. Chrzan
    • Organizer
      International Symposium on Atomistic Processes of Crystal Plasticity
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] Vacancy diffusion in metals in hydrogen environment2018

    • Author(s)
      J. Du, S. Ogata
    • Organizer
      ACCMS-TM2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Reactive Molecular Dynamics Simulation on Stress Corrosion Cracking of Steel under High Temperature Pressurized Water Environment2018

    • Author(s)
      Q. Chen, N. Miyazaki, Y. Ootani, N. Ozawa and M. Kubo
    • Organizer
      First Symposium on Multi-Scale and Multi-Physics Computational Materials Science
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Atomistic prediction of temperature and loading-rate dependent critical indentation load of the onset of homogeneous dislocation nucleation2018

    • Author(s)
      Shigenobu Ogata, Takahito Ohmura, and Yuji Sato
    • Organizer
      The 6th International Indentation Workshop
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] First-principles prediction of Hydrogen-promoted vacancy diffusion in metals2018

    • Author(s)
      Jun-Ping Du, Wen Tong Geng, Kazuto Arakawa, Shigenobu Ogata
    • Organizer
      The 11th International Workshop on Materials Behavior at the Micro- and Nano-Scale
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 固体材料の非弾性変形における非平衡臨界挙動2018

    • Author(s)
      新山友暁, 下川智嗣
    • Organizer
      日本金属学会2018年秋期(第163回)講演大会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] ハイエントロピー合金の臨界分解せん断応力の起源についての原子論的考察2018

    • Author(s)
      尾方成信, Wei Wang
    • Organizer
      日本金属学会2018年秋期(第163回)講演大会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 配位空間上の幾何学から再構築する統計力学と材料科学への応用2018

    • Author(s)
      弓削是貴
    • Organizer
      第28回格子欠陥フォーラム
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 分子動力学シミュレーションによるナノ組織材料の変形・力学解析2018

    • Author(s)
      下川智嗣
    • Organizer
      日本機械学会第8回材料力学における異分野融合に関する研究会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Book] ハイエントロピー合金: カクテル効果が生み出す多彩な新物性2020

    • Author(s)
      乾 晴行 編、尾方成信、都留智仁、弓削是貴 他
    • Total Pages
      196
    • Publisher
      内田老鶴圃
    • ISBN
      9784753651375
    • Related Report
      2020 Annual Research Report
  • [Book] Handbook of Materials Modeling2018

    • Author(s)
      Shigenobu Ogata
    • Total Pages
      17
    • Publisher
      Springer, Cham
    • ISBN
      9783319502571
    • Related Report
      2018 Annual Research Report

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Published: 2018-07-20   Modified: 2022-12-28  

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