Modeling and simulation on mechanical properties of high entropy alloys

• Project Area: High 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 Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: Osaka 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: ¥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、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中の短距離秩序構造形成動力学解析手法の構築　②第一原理計算によるFCCハイエントロピー合金のSi添加の効果に関する検討　③ハイエントロピー合金の粒界移動における動的偏析と原子ドラッグの影響　④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　⑤CrMnFeCoNi系等原子量ハイエントロピー合金の双晶誘起塑性に関する力学応答モデリング　⑥ハイエントロピー合金の熱平衡状態における非線型性の幾何学的考察
以上の研究により、次のことが明らかになるかもしくは達成された。
①アニーリング中の短距離秩序構造の形成動力学を、計算によって予測的に解析する手法を確立した。②FCC構造を有するHEAがSi添加により強度と延性が向上するメカニズムを明らかにすることができた。③等モル組成のFeNiCrCoCu系ハイエントロピー合金（HEA）の粒界移動はCu偏析状態をドラッグしながらの移動となるため抵抗が生じることがわかった。④反応分子動力学シミュレーションReaxFFを用いた腐食環境中におけるAl30Fe50Ni20合金の引張りシミュレーションから、粒界角度によって腐食が力学特性に与える影響の大小が決まることが明らかになった。⑤晶境界の影響を導入することによって双晶境界が巨視的な力学特性に与える影響を表現する双晶誘起塑性変形モデルを構築した。⑥トロピカル幾何学および情報幾何学に基づき、熱平衡状態におけるHEAの原子配置と多体相互作用の間の複雑な非線型の対応関係を構造自由度の観点から多角的に考察し、非線型性は自由度への拘束の強さや自由度間の相互作用（もつれやその非加法性）の寄与に定量的に分解できることを明らかにした。

Current Status of Research Progress

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

Reason

本年も特に近年着目されている短距離秩序構造に着目し、その形成速度を解析する技術を開発した。さらにはそれをもちいて短距離秩序構造を制御するための制御マックを構築できた。またそれに加えて粒界偏析の効果を解析やマイナーな元素添加による力学特性の向上の要因を明らかにするなど予定を上回る結果が得られている。

Strategy for Future Research Activity

最終年度となる次年度は、４月中旬に計画班の合宿形式の研究連携打ち合わせ会議を実施し、各自の研究の進捗を互いに把握し、年度内に実施する研究内容の詳細と計画班内外との連携方針を議論する。全体的な方針としては、短距離秩序に関する解析やそれを記述する理論の更なる深化、粒界偏析やそれによる粒界特性変化の解析、これまでに得られた原子論的解析からの知見を反映した結晶塑性解析をさらに推進し、ハイエントロピー合金の力学特性の根源的解明に向け、計画班全員が一丸となって連携し研究を進展させる。それとともに、領域内の他計画班や公募研究との連携をこれまでにも増して積極的に進めていく。

Research Products

• [Int'l Joint Research] Johns Hopkins University/The University of Tennessee/Massachusetts Institute of Technology(米国)
• [Int'l Joint Research] 西安交通大学(中国)
• [Int'l Joint Research] 台湾国立交通大学(その他の国・地域)
• [Int'l Joint Research] Johns Hopkins University/The University of Tennessee/Massachusetts Institute of Technology(米国)
• [Int'l Joint Research] 西安交通大学/City University of Hong Kong/Tsinghua University(中国)
• [Int'l Joint Research] 台湾国立交通大学(その他の国・地域 台湾)
• [Int'l Joint Research] Chinese Academy of Sciences/Wuhan university/Taiyuan University of Technology(中国)
• [Int'l Joint Research] University of Tennessee/Oak Ridge National Laboratory/University of Illinois(米国)
• [Int'l Joint Research] National Chiao Tung University(その他の国・地域 台湾)
• [Journal Article] Synergetic effect of Si addition on mechanical properties in face-centered-cubic high entropy alloys: a first-principles study (2022)
  • Author(s): Tsuru Tomohito、Lobzenko Ivan、Wei Daixiu
  • Journal Title: Modelling and Simulation in Materials Science and Engineering Volume: 30 Issue: 2 Pages: 024003-024003
  • DOI: 10.1088/1361-651x/ac455a
  • Peer Reviewed
• [Journal Article] Theory of history-dependent multi-layer generalized stacking fault energy－ A modeling of the micro-substructure evolution kinetics in chemically ordered medium-entropy alloys (2022)
  • Author(s): Yu Peijun、Du Jun-Ping、Shinzato Shuhei、Meng Fan-Shun、Ogata Shigenobu
  • Journal Title: Acta Materialia Volume: 224 Pages: 117504-117504
  • DOI: 10.1016/j.actamat.2021.117504
  • Peer Reviewed / Open Access
• [Journal Article] Dislocation core structure and motion in pure titanium and titanium alloys: A first-principles study (2022)
  • Author(s): Tsuru Tomohito、Itakura Mitsuhiro、Yamaguchi Masatake、Watanabe Chihiro、Miura Hiromi
  • Journal Title: Computational Materials Science Volume: 203 Pages: 111081-111081
  • DOI: 10.1016/j.commatsci.2021.111081
  • Peer Reviewed
• [Journal Article] Metalloid substitution elevates simultaneously the strength and ductility of face-centered-cubic high-entropy alloys (2022)
  • Author(s): Wei Daixiu、Wang Liqiang、Zhang Yongjie、Gong Wu、Tsuru Tomohito、Lobzenko Ivan、Jiang Jing、Harjo Stefanus、Kawasaki Takuro、Bae Jae Wung、Lu Wenjun、Lu Zhen、Hayasaka Yuichiro、Kiguchi Takanori、Okamoto Norihiko L.、Ichitsubo Tetsu、Kim Hyoung Seop、Furuhara Tadashi、Ma Evan、Kato Hidemi
  • Journal Title: Acta Materialia Volume: 225 Pages: 117571-117571
  • DOI: 10.1016/j.actamat.2021.117571
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Artificial neural network molecular mechanics of iron grain boundaries (2022)
  • Author(s): Shiihara Yoshinori、Kanazawa Ryosuke、Matsunaka Daisuke、Lobzenko Ivan、Tsuru Tomohito、Kohyama Masanori、Mori Hideki
  • Journal Title: Scripta Materialia Volume: 207 Pages: 114268-114268
  • DOI: 10.1016/j.scriptamat.2021.114268
  • Peer Reviewed / Open Access
• [Journal Article] Nonlinearity in Canonical Ensemble for Multicomponent Alloys Revisited from Structural Degree of Freedoms (2022)
  • Author(s): Yuge Koretaka
  • Journal Title: Journal of the Physical Society of Japan Volume: 91 Issue: 1 Pages: 014082-014082
  • DOI: 10.7566/jpsj.91.014802
  • NAID: 210000177249
  • Peer Reviewed
• [Journal Article] Nucleation kinetics of the β'' precipitate in dilute Mg-Y alloys: A kinetic Monte Carlo study (2022)
  • Author(s): Liao Heting、Kimizuka Hajime、Ishii Akio、Du Jun-Ping、Ogata Shigenobu
  • Journal Title: Scripta Materialia Volume: 210 Pages: 114480-114480
  • DOI: 10.1016/j.scriptamat.2021.114480
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Age-hardening mechanisms of heterogeneous-nanostructured SUS316LN stainless steel fabricated by heavy cold rolling (2022)
  • Author(s): Miura Hiromi、Watanabe Chihiro、Aoyagi Yoshiteru、Oba Yojiro、Kobayashi Masakazu、Yoshinaga Naoki
  • Journal Title: Materials Science and Engineering: A Volume: 833 Pages: 142531-142531
  • DOI: 10.1016/j.msea.2021.142531
  • Peer Reviewed
• [Journal Article] Experimental molecular dynamics for individual atomic-scale plastic events in nanoscale crystals (2022)
  • Author(s): Zheng Sixue、Shinzato Shuhei、Ogata Shigenobu、Mao Scott X.
  • Journal Title: Journal of the Mechanics and Physics of Solids Volume: 158 Pages: 104687-104687
  • DOI: 10.1016/j.jmps.2021.104687
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Evaluation of Mechanical Properties and Materials Design Hased on Atomistic Simulations (2021)
  • 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
  • Peer Reviewed
• [Journal Article] Driving force of zero-macroscopic-strain deformation twinning in face-centred-cubic metals (2021)
  • Author(s): Xie Hongxian、Wei Gaobing、Lu Yuanfang、Du Junping、Yin Fuxing、Lu Guang-Hong、Ogata Shigenobu
  • Journal Title: Philosophical Magazine Volume: 101 Issue: 21 Pages: 2318-2330
  • DOI: 10.1080/14786435.2021.1971317
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Heterogeneous yielding mechanisms of body centered cubic iron for high resistance to chemical reaction-induced deterioration in supercritical water environments: A reactive molecular dynamics study (2021)
  • Author(s): Chen Qian、Zhang Jing、Liu Zhongmin、Wang Yang、Ootani Yusuke、Xu Jingxiang、Ozawa Nobuki、Kubo Momoji
  • Journal Title: Scripta Materialia Volume: 202 Pages: 113997-113997
  • DOI: 10.1016/j.scriptamat.2021.113997
  • Peer Reviewed / Open Access
• [Journal Article] Database-driven semigrand canonical Monte Carlo method: Application to segregation isotherm on defects in alloys (2021)
  • Author(s): Campos Rodrigo Pinheiro、Shinzato Shuhei、Ishii Akio、Nakamura Shuichi、Ogata Shigenobu
  • Journal Title: Physical Review E Volume: 104 Issue: 2 Pages: 025310-025310
  • DOI: 10.1103/physreve.104.025310
  • Peer Reviewed
• [Journal Article] Kinetic Monte Carlo simulation framework for chemical short-range order formation kinetics in a multi-principal-element alloy (2021)
  • Author(s): Shen Zeqi、Du Jun-Ping、Shinzato Shuhei、Sato Yuji、Yu Peijun、Ogata Shigenobu
  • Journal Title: Computational Materials Science Volume: 198 Pages: 110670-110670
  • DOI: 10.1016/j.commatsci.2021.110670
  • Peer Reviewed
• [Journal Article] Highly pressurized helium nanobubbles promote stacking-fault-mediated deformation in FeNiCoCr high-entropy alloy (2021)
  • Author(s): Lin W.T.、Chen D.、Dang C.Q.、Yu P.J.、Wang G.、Lin J.H.、Meng F.L.、Yang T.、Zhao Y.L.、Liu S.F.、Du J.P.、Yeli G.M.、Liu C.T.、Lu Y.、Ogata S.、Kai J.J.
  • Journal Title: Acta Materialia Volume: 210 Pages: 116843-116843
  • DOI: 10.1016/j.actamat.2021.116843
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Configurational Geometry Bridges Equilibrium Structure Information from a Single to Multiple Compositions for Binary Discrete Systems (2021)
  • Author(s): Ohta Shouno、Miyake Ryogo、Yuge Koretaka
  • Journal Title: Journal of the Physical Society of Japan Volume: 90 Issue: 3 Pages: 034801-034801
  • DOI: 10.7566/jpsj.90.034801
  • NAID: 210000158834
  • Peer Reviewed
• [Journal Article] Dislocation‐Mediated Hydride Precipitation in Zirconium (2021)
  • Author(s): Liu Si‐Mian、Ishii Akio、Mi Shao‐Bo、Ogata Shigenobu、Li Ju、Han Wei‐Zhong
  • Journal Title: Small Volume: 18 Issue: 9 Pages: 2105881-2105881
  • DOI: 10.1002/smll.202105881
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Atomistic processes of surface-diffusion-induced abnormal softening in nanoscale metallic crystals (2021)
  • Author(s): Wang Xiang、Zheng Sixue、Shinzato Shuhei、Fang Zhengwu、He Yang、Zhong Li、Wang Chongmin、Ogata Shigenobu、Mao Scott X.
  • Journal Title: Nature Communications Volume: 12 Issue: 1 Pages: 5237-5237
  • DOI: 10.1038/s41467-021-25542-2
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Screening of generalized stacking fault energies, surface energies and intrinsic ductile potency of refractory multicomponent alloys (2021)
  • Author(s): Hu Yong-Jie、Sundar Aditya、Ogata Shigenobu、Qi Liang
  • Journal Title: Acta Materialia Volume: 210 Pages: 116800-116800
  • DOI: 10.1016/j.actamat.2021.116800
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Effects of strain rate on mechanical properties of heterogeneous nano-structured SUS316LN stainless steel: Revealed by in-situ X-Ray diffraction at synchrotron radiation facility (2021)
  • Author(s): Jiang Hua、Watanabe Chihiro、Miyajima Yoji、Koga Norimitsu、Aoyagi Yoshiteru、Kobayashi Masakazu、Miura Hiromi
  • Journal Title: Materials Science and Engineering: A Volume: 815 Pages: 141251-141251
  • DOI: 10.1016/j.msea.2021.141251
  • Peer Reviewed
• [Journal Article] Dependences of Grain Size and Strain-Rate on Deformation Behavior of Commercial Purity Titanium Processed by Multi-Directional Forging (2020)
  • 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
  • Peer Reviewed
• [Journal Article] Landscape of Configurational Density of States for Discrete Systems at Equicomposition (2020)
  • 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
  • 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 Displacement (2020)
  • 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
  • Peer Reviewed / Open Access
• [Journal Article] Accurate Prediction of Potential Energy Surface via Thermodynamically Equilibrium Structure (2020)
  • 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
  • Peer Reviewed
• [Journal Article] Dislocation Emission from Grain Boundaries in High-Entropy Alloys: Influence of Atomic Composition at Grain Boundaries (2020)
  • 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
  • Peer Reviewed
• [Journal Article] Non-Basal Dislocation Nucleation Site of Solid Solution Magnesium Alloy (2020)
  • 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
  • Peer Reviewed / Open Access
• [Journal Article] Dislocation Emission from Grain Boundaries in High-Entropy Alloys: Influence of Atomic Compositions at Grain Boundaries (2020)
  • 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
  • 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 population (2020)
  • 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
  • Peer Reviewed / Open Access
• [Journal Article] Special Microscopic-States-Basis Representation of Macroscopic Structure for Discrete Thermodynamic Systems (2020)
  • 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
  • Peer Reviewed
• [Journal Article] Unique universal scaling in nanoindentation pop-ins (2020)
  • 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
  • Peer Reviewed / Open Access
• [Journal Article] Hydrogen-Enhanced Vacancy Diffusion in Metals (2020)
  • 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
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Tropical Limit for Configurational Geometry in Discrete Thermodynamic Systems (2020)
  • 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
  • Peer Reviewed
• [Journal Article] Hydrogen-accelerated spontaneous microcracking in high-strength aluminium alloys (2020)
  • 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
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics study (2020)
  • Author(s): T. Suzudo, K. Ebihara, T. Tsuru
  • Journal Title: AIP Advances Volume: 10 Issue: 11 Pages: 115209-115209
  • DOI: 10.1063/5.0026659
  • Peer Reviewed / Open Access
• [Journal Article] Transition of dominant deformation mode in bulk polycrystalline pure Mg by ultra-grain refinement down to sub-micrometer (2020)
  • 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
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] The possible transition mechanism for the meta-stable phase in the 7xxx aluminium (2020)
  • 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
  • Peer Reviewed / Open Access
• [Journal Article] Change in damping capacity arising from twin-boundary segregation in solid-solution magnesium alloys (2020)
  • 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
  • Peer Reviewed / Open Access
• [Journal Article] Fatigue Properties of SUS316LN Stainless Steel Sheet with Heterogeneous Nano-structure Developed by Heavy Cold Rolling (2020)
  • 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
  • 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 CoNiCrFeMn (2020)
  • 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
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Characterization of Heterogeneous-nano Structure in Austenitic Stainless Steel: Crystal Orientations and Hardness Distribution (2020)
  • 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
  • Peer Reviewed
• [Journal Article] Anomalous solution softening by unique energy balance mediated by kink mechanism in tungsten-rhenium alloys (2020)
  • 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
  • Peer Reviewed
• [Journal Article] Synergistic effect of lattice strain and Co doping on enhancing thermal stability in Fe16N2 thin film with high magnetization (2020)
  • 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
  • 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
• [Journal Article] Phase transformation assisted twinning in a face-centered-cubic FeCrNiCoAl high entropy alloy (2019)
  • 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
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Structural relaxation affecting shear-transformation avalanches in metallic glasses (2019)
  • 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
  • Peer Reviewed
• [Journal Article] Controlled growth of single-crystalline metal nanowires via thermomigration across a nanoscale junction (2019)
  • 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
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Bidirectional-Stability Breaking in Thermodynamic Average for Classical Discrete Systems (2019)
  • 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
  • Peer Reviewed
• [Journal Article] Atomistic prediction of the temperature- and loading-rate-dependent first pop-in load in nanoindentation (2019)
  • 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
  • Peer Reviewed
• [Journal Article] Microscopic Geometry Rules Ordering Tendency for Multicomponent Disordered Alloys (2019)
  • 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
  • Peer Reviewed
• [Journal Article] Anharmonicity in Structural Degree of Freedom:A Central Key fidirectional Stability in Thermodynamic Average (2019)
  • Author(s): K. Yuge, S. Ohta, T. Setoyama, R. Miyake
  • Journal Title: AMTC letters Volume: 6 Pages: 232-233
  • Peer Reviewed
• [Journal Article] Efficient Construction of Special Microscopic States for Thermodynamically Equilibrium State Based on Singular Value Decomposition (2019)
  • Author(s): R. Miyake, S. Ohta, K. Yuge
  • Journal Title: AMTC letters Volume: 6 Pages: 162-163
  • Peer Reviewed
• [Journal Article] Systematic, Exact Formulation of Multivariate Moments for Configurational Geometry in Crystalline Solids (2019)
  • Author(s): S. Ohta, K. Yuge
  • Journal Title: AMTC letters Volume: 6 Pages: 234-235
  • Peer Reviewed
• [Journal Article] An atomistically informed kinetic Monte Carlo model for predicting solid solution strengthening of body-centered cubic alloys (2019)
  • 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
  • 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 approach (2019)
  • 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
  • Peer Reviewed
• [Journal Article] Mechanism of Hardening and Damage Initiation in Oxygen Embrittlement of Body-Centred-Cubic Niobium (2019)
  • 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
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Modeling of twinning-induced plasticity of high entropy alloy based on crystal plasticity (2019)
  • 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
  • Peer Reviewed
• [Journal Article] Multiscale simulation based on macroscopic deformation model predicted by microstructure information of ultrafine-grained metals (2019)
  • 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
  • Peer Reviewed
• [Journal Article] A Single Microscopic State to Characterize Ordering Tendency in Discrete Multicomponent Systems (2019)
  • 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
  • Peer Reviewed
• [Journal Article] Exact Formulation of Moments for Density of States on Multisite Correlation Function under Constant Composition (2019)
  • 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
  • Peer Reviewed
• [Journal Article] Origin of serrated flow in bulk metallic glasses (2019)
  • 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
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Heterogeneous Nano-structure and Its Evolution in Heavily Cold-rolled SUS316LN Stainless Steels (2019)
  • 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
  • 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 Steel (2019)
  • 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
  • Peer Reviewed / Open Access
• [Journal Article] Fatigue Fracture of Duplex Stainless Steel with Heterogeneous Nanostructure by Heavy Cold Rolling (2019)
  • 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
  • Peer Reviewed / Open Access
• [Journal Article] Hydrogen embrittlement controlled by reaction of dislocation with grain boundary in alpha-iron (2019)
  • 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
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Incorporating a soft ordered phase into an amorphous configuration enhances its uniform plastic deformation under shear (2019)
  • 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
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Crystal Plasticity Simulation Considering Microstructures of Austenitic Stainless Steel on Macroscopic Yield Function (2018)
  • 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
  • Peer Reviewed
• [Journal Article] A free energy landscape perspective on the nature of collective diffusion in amorphous solids (2018)
  • 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
  • Peer Reviewed / Int'l Joint Research
• [Presentation] プラストンの核生成と運動の原子論的解析 (2022)
  • Author(s): 尾方成信
  • Organizer: 日本金属学会2022年春期(第170回)講演大会,
  • Invited
• [Presentation] 金属結晶材料の格子欠陥と機械的性質に関する原子シミュレーション (2022)
  • Author(s): 下川智嗣
  • Organizer: 第35期CAMMフォーラム本例会
  • Invited
• [Presentation] Simulated Microstructure Effects on Macroscopic Mechanical Properties Based on Multiscale Crystal Plasticity (2021)
  • Author(s): Y. Aoyagi, R. Kobayashi, D.L. McDowell
  • Organizer: The 13th International Conference on the Technology of Plasticity
  • Int'l Joint Research
• [Presentation] Supercomputer “MASAMUNE-IMR” Gives Paradigm Shifts on Atomistic Wear, Corrosion, and Cracking Simulations (2021)
  • Author(s): M. Kubo
  • Organizer: The 5th Symposium for The Core Research Cluster for Materials Science and Spintronics, and the 4th Symposium on International Joint Graduate Program in Materials Science
  • Int'l Joint Research / Invited
• [Presentation] Hydrogen effect on vacancy diffusion in metals (2021)
  • Author(s): S. Ogata
  • Organizer: Euromat 2021
  • Int'l Joint Research / Invited
• [Presentation] Modeling of hydrogen accelerated vacancy diffusion in metals (2021)
  • Author(s): S. Ogata
  • Organizer: THERMEC 2021
  • Int'l Joint Research / Invited
• [Presentation] Crystal Plasticity Simulation Considering Microstructures of High Entropy Alloy on Mechanical Properties (2021)
  • Author(s): Y. Aoyagi, S. Mori
  • Organizer: International Conference on Processing & Manufacturing of Advanced Materials
  • Int'l Joint Research / Invited
• [Presentation] Superlarge-Scale Molecular Dynamics Simulations on Wear, Corrosion, and Cracking Mechanisms (2021)
  • Author(s): M. Kubo
  • Organizer: 24th International Annual Symposium on Computational Science and Engineering
  • Int'l Joint Research / Invited
• [Presentation] スーパーコンピュータを活用した超大規模並列計算による材料設計のパラダイムシフト (2021)
  • Author(s): 久保百司
  • Organizer: CURIEセミナー
  • Invited
• [Presentation] 超大規模計算によるパラダイムシフト (2021)
  • Author(s): 久保百司
  • Organizer: BIOVIA User Conference
  • Invited
• [Presentation] ハイエントロピー合金の特異な力学特性に関する計算科学研究 (2021)
  • Author(s): 都留智仁
  • Organizer: 第70期 塑性工学／マルチスケール材料力学 合同部門委員会
  • Invited
• [Presentation] 第一原理計算によるハイエントロピー合金の諸特性の評価 (2021)
  • Author(s): 都留智仁，イバン ロブゼンコ，椎原良典，魏代修，弓削是貴，青柳吉輝，下川智嗣，久保百司，尾方成信，加藤秀実，橋本直幸，上田幹人，林重成，岡弘，礒部繁人
  • Organizer: 日本金属学会2021年秋期（第169回）講演大会
  • Invited
• [Presentation] スーパーコンピュータ"MASAMUNE-IMR"を活用した大規模計算科学シミュレーション (2021)
  • Author(s): 久保百司
  • Organizer: 91回金属材料研究所夏期講習会
  • Invited
• [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
• [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
• [Presentation] Tailoring local structure of high entropy alloys to overcome the strength-ductility trade-off (2021)
  • 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
• [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
• [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
• [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
• [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
  • 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
  • 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
• [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
• [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
• [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
• [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
• [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
• [Presentation] First-principles calculations of dislocation core structure in BCC-HEAs (2020)
  • Author(s): T. Tsuru
  • Organizer: SNA+MC2020
• [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
  • 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
  • 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
  • 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
  • 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
  • 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
  • Invited
• [Presentation] Relationship between the development of lattice defects and mechanical properties in solid materials through atomic simulations (2020)
  • 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
  • Invited
• [Presentation] Stress Corrosion Cracking Mechanism of FCC Type High-entropy Alloys Structural Materials under High Temperature Pressurized Water Environment by Molecular Dynamics Simulation (2020)
  • Author(s): C. Liu, Q. Chen, Y. Wang, N. Miyazaki, Y. Ootani, N. Ozawa, M. Kubo
  • Organizer: TMS 2020 149th Annual Meeting & Exhibition
  • 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～
• [Presentation] Multiscale crystal plasticity modeling on martensitic transformation based on mixture law (2020)
  • Author(s): Y. Aoyagi, D. McDowell
  • Organizer: International Conference on Plasticity, Damage and Fracture (ICPDF) 2020
  • Int'l Joint Research / Invited
• [Presentation] Atomistic modeling of the temperaute and loading rate dependent pop-in load in nanoindentation (2020)
  • Author(s): S. Ogata, S. Shinzato, Y. Sato, Takahito Ohmura
  • Organizer: International Conference on Plasticity, Damage and Fracture (ICPDF) 2020
  • 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～
  • 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
  • Invited
• [Presentation] Bidirectional Stability Breaking in Thermodynamic Average for Multicomponent Alloys (2019)
  • Author(s): K. Yuge
  • Organizer: Materials Research Meeting 2019
• [Presentation] Reactive Molecular Dynamics Simulation of Intergranular Stress Corrosion Cracking Process of FeNiCr Based High Entropy Alloy (2019)
  • Author(s): N. Miyazaki, C. Liu, Q. Chen, M. Kubo
  • Organizer: Materials Research Meeting 2019
• [Presentation] Temperature Dependent Grain Boundary Segregation in BCC-Fe A Grand Canonical Monte Carlo - Molecular Dynamics Hybrid Study (2019)
  • Author(s): R. P. Campos, S. Shinzato, A. Ishii, S. Ogata
  • Organizer: Materials Research Meeting 2019
• [Presentation] Influence of Atomic Size Defference on Dislocation Emission from Grain Boundaries in High Entropy Alloys (2019)
  • Author(s): K. Shiotani, T. Niiyama, T. Shimokawa
  • Organizer: Materials Research Meeting 2019
• [Presentation] Deformation mechanism and mechanical properties of mixed amorphous-crystalline system through atomic simulations (2019)
  • Author(s): T. Shimokawa, K. Shiotani, T. Niiyama
  • Organizer: Materials Research Meeting 2019
• [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
• [Presentation] Dislocation emission from grain boundaries in high entropy alloys through atomic simulations (2019)
  • Author(s): T. Shimokawa, K. Shiotani, T. Niiyama
  • Organizer: World Congress on High Entropy Alloys (HEA 2019)
  • 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”
• [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
• [Presentation] A numerical description of the motion of screw dislocation around solutes in tungsten alloys (2019)
  • Author(s): T. Tsuru, T. Suzudo, M. Itakura, M. Wakeda, S. Ogata
  • Organizer: The Nineteenth International Conference on Fusion Reactor Materials (ICFRM-19)
  • 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
• [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
• [Presentation] A grand canonical Monte Carlo - Molecular Dynamics hybrid free energy analysis of grain boundary segregation (2019)
  • 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
  • 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
• [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
• [Presentation] Reactive Molecular Dynamics Simulation of Crack Propagation Process of High Entropy Alloy under Pressurized High Temperature Water (2019)
  • 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
  • Int'l Joint Research
• [Presentation] Modeling of twinning-induced plasticity of high entropy alloy based on crystal plasticity (2019)
  • Author(s): T. Tsukuda, Y. Aoyagi
  • Organizer: The 10th Pacific Rim International Conference on Advance Materials and Processing
  • Int'l Joint Research
• [Presentation] Atomistic study on grain boundary free energy of substitutional alloy using grand canonical Monte Carlo method (2019)
  • Author(s): S. Shinzato, S. Ogata
  • Organizer: The 12th International Workshop on Materials Behavior at the Micro- and Nano-scale
  • Int'l Joint Research
• [Presentation] Deformation mechanism and mechanical properties of y system through atomic simulations (2019)
  • Author(s): T. Shimokawa and T. Niiyama
  • Organizer: The 4th International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics (ISAM4-2019)
  • Int'l Joint Research
• [Presentation] First-principles modeling for dislocation motion of HEA alloys (2019)
  • 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)
  • Int'l Joint Research
• [Presentation] Multiscale crystal plasticity simulation based on fatigue indicator parameters on ultrafine-grained metals (2019)
  • Author(s): Y. Aoyagi, D. McDowell
  • Organizer: 5th World Congress on Integrated Computational Materials Engineering
  • Int'l Joint Research
• [Presentation] Work hardening by grain boundary transformation in multilayer nanopillars (2019)
  • Author(s): T. Shimokawa, T. Niiyama, K. Higashida
  • Organizer: Intergranular and interphase boundaries in materials
  • Int'l Joint Research
• [Presentation] Anharmonicity in Structural Degree of Freedom: A Central Key for Bidirectional Stability in Thermodynamic Average (2019)
  • Author(s): K. Yuge
  • Organizer: The 6th International Symposium on Advanced Microscopy and Theoretical Calculations
• [Presentation] Efficient Construction of Special Microscopic States for Thermodynamically Equilibrium State Based on Singular Value Decomposition (2019)
  • Author(s): R. Miyake, S. Ohta and K. Yuge
  • Organizer: The 6th International Symposium on Advanced Microscopy and Theoretical Calculations
• [Presentation] Systematic, Exact Formulation of Multivariate Moments for Configurational Geometry in Crystalline Solids (2019)
  • Author(s): S. Ohta and K. Yuge
  • Organizer: The 6th International Symposium on Advanced Microscopy and Theoretical Calculations
• [Presentation] An atomistic modeling of solute segregation in substitutional alloys using database-driven Monte Carlo method (2019)
  • Author(s): S. Shinzato, E. Kasuya, S. Ogata
  • Organizer: 13th International Conference on the Mechanical Behavior of Materials (ICM13)
  • Int'l Joint Research
• [Presentation] Atomistic prediction of temperature‐ and loading‐rate‐dependent pop‐in load of nanoindentation (2019)
  • Author(s): S. Ogata
  • Organizer: 13th International Conference on the Mechanical Behavior of Materials (ICM13)
  • 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
• [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
• [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
• [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
• [Presentation] Multiscale modeling study of pop-ins in nanoindentation (2019)
  • Author(s): S. Ogata
  • Organizer: Asia Pacific Congress on Computational Mechanics (APCOM) 2019
  • 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 Environment (2019)
  • Author(s): C. Liu, Q. Chen, Y. Wang, N. Miyazaki, Y. Ootani, N. Ozawa, M. Kubo
  • Organizer: EMN Hong Kong Meeting 2019
  • Int'l Joint Research / Invited
• [Presentation] Modeling and simulation of defect and defect behavior in high entropy alloys (2019)
  • Author(s): S. Ogata
  • Organizer: Materials Research Meeting 2019 (MRS fall meeting 2019)
  • Int'l Joint Research / Invited
• [Presentation] Multiscale simulation based on macroscopic deformation model predicted by microstructure information of ultrafine-grained metals (2019)
  • 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)
  • Int'l Joint Research / Invited
• [Presentation] First-principles predictions of dislocation motion in high-entropy alloys (2019)
  • 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)
  • Int'l Joint Research / Invited
• [Presentation] Atomistic prediction of the temperature- and loading-rate-dependent pop-in load in nanoindentation (2019)
  • 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)
  • Int'l Joint Research / Invited
• [Presentation] Ab-initio based multiscale modeling of formation kinetics of nano-precipitates in Al-Cu alloys (2019)
  • Author(s): H. Kimizuka, H. Miyoshi, A. Ishii, and S. Ogata
  • Organizer: The 6th Korea Multi-scale Mechanics Symposium (KMSM2019)
  • Int'l Joint Research / Invited
• [Presentation] First-principles calculations of the motion of screw dislocation around solutes in W alloys (2019)
  • Author(s): T. Tsuru, T. Suzudo
  • Organizer: 6th FMTCP Workshop
  • Int'l Joint Research / Invited
• [Presentation] Modeling of pop-ins in nanoindentation (2019)
  • Author(s): S. Ogata, T. Ohmura, Y. Sato, S. Shinzato
  • Organizer: Materials Research Meeting 2019
  • Invited
• [Presentation] First-principles calculations of dislocation core structure and motion in high entropy alloys (2019)
  • Author(s): T. Tsuru
  • Organizer: The 11th Korea-Japan-Berkeley symposium
  • 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」
  • 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
  • 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
  • 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
  • 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
  • Invited
• [Presentation] First Principles Modeling on Radiation Defects in W and W-based Alloys (2019)
  • 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)
  • 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
• [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
• [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
• [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 Simulation (2019)
  • 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
  • Int'l Joint Research
• [Presentation] Multiscale Crystal Plasticity Modeling on Twinning of Hetero-Nanostructured Stainless Steels (2019)
  • Author(s): Y. Aoyagi, C. Watanabe, M. Kobayashi, Y. Todaka and H. Miura
  • Organizer: International Symposium on Plasticity, Damage, and Fracture 2019, (ICPDF 2019)
  • 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)
  • 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
  • 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
  • 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
  • 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
  • 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
• [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
• [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
• [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
• [Presentation] Large-Scale Reactive Molecular Dynamics Analysis for the Intergranular Stress Corrosion Cracking Mechanism on Titanium under Water Environment (2018)
  • Author(s): N. Miyazaki, Y. Ootani, N. Ozawa and M. Kubo
  • Organizer: Summit of Materials Science 2018
• [Presentation] Effect of solutes on dislocation motion in dilute hcp and bcc alloys (2018)
  • 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
• [Presentation] Development of a Multiscale Simulation System Based on Microstructure of Fine-grained Aluminum (2018)
  • Author(s): A. Sagara and Y. Aoyagi
  • Organizer: The 9th international conference on Multiscale Materials Modeling
• [Presentation] Molecular Dynamics Simulation on Intergranular Cracking Mechanism of Iron Material in High Temperature Pressurized Water Environment (2018)
  • Author(s): Q. Chen, J. Xu, Y. Ootani, N. Ozawa and M. Kubo,
  • Organizer: The 9th international conference on Multiscale Materials Modeling
• [Presentation] Creep mechanisms of nanocrystalline metals at atomic-scale (2018)
  • Author(s): Y. Wang, S. Ogata
  • Organizer: International Symposium on Atomistic Processes of Crystal Plasticity
• [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
• [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
• [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
• [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
• [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
• [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
• [Presentation] An Accelerated Molecular Dynamics Study of Yield Stress of Ultrafine-grained Metals (2018)
  • Author(s): Shigenobu Ogata
  • Organizer: The 13th World Congress in Computational Mechanics (WCCMXIII)
  • 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
• [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
• [Presentation] Influence of Interface-mediated plasticity on mechanical properties of nanostructured materials (2018)
  • Author(s): T. Shimokawa
  • Organizer: 7th ESISM Workshop
  • Invited
• [Presentation] Effect of solutes on dislocation core structure and motion (2018)
  • Author(s): T. Tsuru
  • Organizer: 7th ESISM Workshop
  • Invited
• [Presentation] Failure Mechanisms of Steels under High Temperature Pressurized Water Environment - A Reactive Molecular Dynamics Study (2018)
  • 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
  • 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 alloys (2018)
  • Author(s): Shigenobu Ogata and Wei Wang
  • Organizer: 2018 Materials Research Society (MRS) Fall Meeting & Exhibit
  • Int'l Joint Research / Invited
• [Presentation] DFT-based predictions of the effect of solutes on dislocation motion in bcc and hcp alloys (2018)
  • 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
  • Invited
• [Presentation] Vacancy diffusion in metals in hydrogen environment (2018)
  • Author(s): J. Du, S. Ogata
  • Organizer: ACCMS-TM2018
  • Int'l Joint Research / Invited
• [Presentation] Reactive Molecular Dynamics Simulation on Stress Corrosion Cracking of Steel under High Temperature Pressurized Water Environment (2018)
  • 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
  • Int'l Joint Research / Invited
• [Presentation] Atomistic prediction of temperature and loading-rate dependent critical indentation load of the onset of homogeneous dislocation nucleation (2018)
  • Author(s): Shigenobu Ogata, Takahito Ohmura, and Yuji Sato
  • Organizer: The 6th International Indentation Workshop
  • Invited
• [Presentation] First-principles prediction of Hydrogen-promoted vacancy diffusion in metals (2018)
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
• [Book] Handbook of Materials Modeling (2018)
  • Author(s): Shigenobu Ogata
  • Total Pages: 17
  • Publisher: Springer, Cham
  • ISBN: 9783319502571