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First-Principles design of bulk nano-structured metals

Planned Research

Project AreaBulk Nanostructured Metals -New Metallurgy of Novel Structural Materials
Project/Area Number 22102003
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

OGATA Shigenobu  大阪大学, 基礎工学研究科, 教授 (20273584)

Co-Investigator(Kenkyū-buntansha) KOHYAMA Masanori  独立行政法人産業技術総合研究所, ユビキタスエネルギー研究部門, 首席研究員 (60344157)
Co-Investigator(Renkei-kenkyūsha) KIMIZUKA Hajime  大阪大学, 基礎工学研究科, 准教授 (60467511)
TANAKA Shingo  独立行政法人産業技術総合研究所, ユビキタスエネルギー研究部門, 研究員 (50357448)
Project Period (FY) 2010-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥97,110,000 (Direct Cost: ¥74,700,000、Indirect Cost: ¥22,410,000)
Fiscal Year 2014: ¥18,980,000 (Direct Cost: ¥14,600,000、Indirect Cost: ¥4,380,000)
Fiscal Year 2013: ¥20,020,000 (Direct Cost: ¥15,400,000、Indirect Cost: ¥4,620,000)
Fiscal Year 2012: ¥21,060,000 (Direct Cost: ¥16,200,000、Indirect Cost: ¥4,860,000)
Fiscal Year 2011: ¥19,760,000 (Direct Cost: ¥15,200,000、Indirect Cost: ¥4,560,000)
Fiscal Year 2010: ¥17,290,000 (Direct Cost: ¥13,300,000、Indirect Cost: ¥3,990,000)
Keywordsバルクナノメタル / 機械的特性 / 基礎物性設計 / 第一原理計算 / 分子動力学計算 / マルチスケールモデリング / 粒界 / 転位・拡散 / 転位生成 / 粒界移動 / 加速分子動力学法 / 第一原理局所応力解析 / 結晶粒サイズ依存性 / 基礎物性設計指針 / 欠陥 / 力学物性 / マルチスケール解析 / 積層欠陥 / 転位 / 不純物
Outline of Final Research Achievements

We figured out underlying universal mechanisms, which dominate the unusual mechanical properties of bulk nanostructured metals, using first principles density functional theory and multiscale atomistic simulation methods. Based on the clarified universal mechanism, we proposed a model that can predictively describe the mechanical properties of bulk nanostructured metals. Moreover, in the model constructing process, we newly obtained details of electronic, atomistic and thermodynamic understandings for individual unit processes that governing the mechanical properties, such as grain boundary decohesion, grain boundary diffusion, grain boundary motion, and dislocation nucleation from grain boundary.

Report

(6 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Annual Research Report
  • 2012 Annual Research Report
  • 2011 Annual Research Report
  • 2010 Annual Research Report
  • Research Products

    (163 results)

All 2015 2014 2013 2012 2011 2010

All Journal Article (25 results) (of which Peer Reviewed: 25 results,  Open Access: 1 results,  Acknowledgement Compliant: 3 results) Presentation (138 results) (of which Invited: 37 results)

  • [Journal Article] Atomistic Study on Medium-Range Order Structures in Amorphous Metals2015

    • Author(s)
      譯田真人, 渋谷陽二, 尾方成信
    • Journal Title

      Journal of the Society of Materials Science, Japan

      Volume: 64 Issue: 3 Pages: 156-162

    • DOI

      10.2472/jsms.64.156

    • NAID

      130004749942

    • ISSN
      0514-5163, 1880-7488
    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] From “smaller is stronger” to “size-independent strength plateau”: towards measuring the ideal strength of iron2015

    • Author(s)
      Wei-Zhong Han, Ling Huang, Shigenobu Ogata, Hajime Kimizuka, Zhao-Chun Yang, Christopher Weinberger, Qing-Jie Li, Bo-Yu Liu, Xi-Xiang Zhang, Ju Li, Evan Ma, Zhi-Wei Shan
    • Journal Title

      Advanced Materials

      Volume: 印刷中 Issue: 22 Pages: 3385-3390

    • DOI

      10.1002/adma.201500377

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Impact toughness of 0.3 mass% carbon tempered martensitic steels evaluated by instrumented charpy test2014

    • Author(s)
      S. Takebayashi, K. Ushioda, N. Yoshinaga, and S. Ogata
    • Journal Title

      Mater. Sci. Forum

      Volume: 783-786 Pages: 1033-1038

    • DOI

      10.4028/www.scientific.net/msf.783-786.1033

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab Initio Perspective of the <110> Symmetrical Tilt Grain 10.1007/s10853-014-8038-12014

    • Author(s)
      S. Kr. Bhattacharya, S. Tanaka, Y. Shiihara and M. Kohyama
    • Journal Title

      J. Mater. Sci.

      Volume: 49 Issue: 11 Pages: 3980-3980

    • DOI

      10.1007/s10853-014-8038-1

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] 鉄中固体水素および炭素原子の拡散ダイナミクス2014

    • Author(s)
      尾方成信
    • Journal Title

      ふぇらむ

      Volume: 19 Pages: 524-530

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Si Segregation at Fe Grain Boundaries Analyzed by Ab Initio Local Energy and Local Stress2014

    • Author(s)
      S. Kr. Bhattacharya, M. Kohyama, S. Tanaka and Y. Shiihara
    • Journal Title

      J. Phys.: Condens. Matter

      Volume: 26 Issue: 35 Pages: 355005-355005

    • DOI

      10.1088/0953-8984/26/35/355005

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Development of <i>Ab-Initio</i> Local-Energy and Local-Stress Schemes and Applications to Materials Interfaces2014

    • Author(s)
      香山正憲, 田中真悟, 椎原良典
    • Journal Title

      Materia Japan

      Volume: 53 Issue: 9 Pages: 405-409

    • DOI

      10.2320/materia.53.405

    • NAID

      130004687161

    • ISSN
      1340-2625, 1884-5843
    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab Initio Local Energy and Local Stress: Application to Tilt and Twist Grain Boundaries in Cu and Al2013

    • Author(s)
      H. Wang, M. Kohyama, S. Tanaka, and Y. Shiihara
    • Journal Title

      J. Phys.: Condens. Matter

      Volume: 25 Issue: 30 Pages: 305006-305006

    • DOI

      10.1088/0953-8984/25/30/305006

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab Initio Study of Symmetrical Tilt Grain Boundaries in bcc Fe: Structural Units, Magnetic Moments, Interfacial Bonding, Local Energy and Local Stress2013

    • Author(s)
      S. Kr. Bhattacharya, S. Tanaka, Y. Shiihara, and M. Kohyama
    • Journal Title

      J. Phys.: Condens. Matter

      Volume: 25 Issue: 13 Pages: 135004-135018

    • DOI

      10.1088/0953-8984/25/13/135004

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] "Conjugate Channeling" Effect in Dislocation Core Diffusion : Carbon Transport in Dislocated BCC Iron2013

    • Author(s)
      Akio Ishii, Ju Li and Shigenobu Ogata
    • Journal Title

      PLOS ONE

      Volume: 8 Issue: 4 Pages: e60586-e60586

    • DOI

      10.1371/journal.pone.0060586

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Studying the elastic properties of nanocrystalline copper using a model of randomly packed uniform grains2013

    • Author(s)
      G. J. J. Gao, Y. J. Wang, and S. Ogata
    • Journal Title

      Compt. Mater. Sci.

      Volume: 79 Pages: 56-62

    • DOI

      10.1016/j.commatsci.2013.05.053

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Anomalous Dressing of Dirac Fermions in the Topological Surface State of Bi2Se3, Bi2Te3, and Cu-Doped Bi2Se32013

    • Author(s)
      T. Kondo
    • Journal Title

      Phys. Rev. Lett

      Volume: 110 Issue: 6 Pages: 32002-32002

    • DOI

      10.1103/physrevlett.112.068103

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Atomistic Design of High Strength Crystalline-Amorphous Nanocomposites2013

    • Author(s)
      S. Yamamoto, Y. J. Wang, A. Ishii and S. Ogata
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 54 Issue: 9 Pages: 1592-1596

    • DOI

      10.2320/matertrans.MH201316

    • NAID

      10031194641

    • ISSN
      1345-9678, 1347-5320
    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Entropic Effect on Creep in Nanocrystalline Metals2013

    • Author(s)
      Y. J. Wang, A. Ishii and S. Ogata
    • Journal Title

      Acta Materialia

      Volume: 61 Issue: 10 Pages: 3886-3886

    • DOI

      10.1016/j.actamat.2013.03.026

    • Related Report
      2013 Annual Research Report 2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Size-dependent Transition of Deformation Mechanism and Nonlinear Elasticity in Ni3Al Nanowires2013

    • Author(s)
      Y. J. Wang, G. J. Gao and S. Ogata
    • Journal Title

      Appl. Phys. Lett.

      Volume: 102 Issue: 4

    • DOI

      10.1063/1.4789528

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 分子動力学法によるCu-Zr二元系アモルファス金属の過冷却液体における粘性係数の温度依存性の解析2013

    • Author(s)
      宮崎成正
    • Journal Title

      材料

      Volume: 62 Pages: 172-178

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Conjugate channeling effect in dislocation core diffusion: carbon transport in dislocated BCC iron2013

    • Author(s)
      A. Ishii
    • Journal Title

      PLoSONE

      Volume: 未定

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Grain Size Dependence of Creep in Nanocrystalline Copper by Molecular Dynamics2012

    • Author(s)
      Y.J.Wang, A.Ishii, S.Ogata
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 53 Issue: 1 Pages: 156-160

    • DOI

      10.2320/matertrans.MD201122

    • NAID

      130004454833

    • ISSN
      1345-9678, 1347-5320
    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-Principles Tensile Tests of Tilt and Twist Grain Boundaries in Al2012

    • Author(s)
      R.Z.Wang, S.Tanaka, M.Kohyama
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 53 Issue: 1 Pages: 140-146

    • DOI

      10.2320/matertrans.MD201130

    • NAID

      130004454832

    • ISSN
      1345-9678, 1347-5320
    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Adaptive boost molecular dynamics simulation of carbon diffusion in iron2012

    • Author(s)
      A.Ishii, S.Ogata, H.Kimizuka, J.Li
    • Journal Title

      Physical Review B

      Volume: 85 Issue: 6

    • DOI

      10.1103/physrevb.85.064303

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Multi-replica molecular dynamics modeling2012

    • Author(s)
      A.Ishii, H.Kimizuka, S.Ogata
    • Journal Title

      Computational Materials Science

      Volume: 54 Pages: 240-248

    • DOI

      10.1016/j.commatsci.2011.10.013

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Transition of creep mechanism in nanocrystalline metals2011

    • Author(s)
      Y.J.Wang, A.Ishii, S.Ogata
    • Journal Title

      Physical Review B

      Volume: 84 Issue: 22

    • DOI

      10.1103/physrevb.84.224102

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Slow diffusion of hydrogen at a screw dislocation core in α-iron2011

    • Author(s)
      H.Kimizuka, S.Ogata
    • Journal Title

      Physical Review B

      Volume: 84 Issue: 2

    • DOI

      10.1103/physrevb.84.024116

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of Temperature on Fast Hydrogen Diffusion in Iron2011

    • Author(s)
      H.Kimizuka, H.Mori, S.Ogata
    • Journal Title

      Physical Review B

      Volume: (印刷中)

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 分子動力学法によるFCC材料の局所せん断変形に対する安定性の評価2011

    • Author(s)
      牛田裕己, 尾方成信, 君塚肇
    • Journal Title

      材料

      Volume: 60 Pages: 71-78

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Presentation] 金属ガラスの緩和状態と変形様態との関係の原子論的解析2015

    • Author(s)
      宮崎成正, 譯田真人, 尾方成信
    • Organizer
      日本金属学会春季(第156回)講演大会
    • Place of Presentation
      東京大学
    • Year and Date
      2015-03-18 – 2015-03-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] 局所エネルギー・局所応力法による第一原理引っ張り試験の解析:Al粒界, Cu粒界への適用2015

    • Author(s)
      王 昊, 香山 正憲, 田中 真悟, 椎原良典
    • Organizer
      日本金属学会春季(第156回)講演大会
    • Place of Presentation
      東京大学
    • Year and Date
      2015-03-18 – 2015-03-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] Structural and Mechanical Properties of Rejuvenated Amorphous Metals2015

    • Author(s)
      Shigenobu Ogata, Masato Wakeda
    • Organizer
      2015 TMS Annual Meeting & Exhibition
    • Place of Presentation
      Orland, USA
    • Year and Date
      2015-03-15 – 2015-03-19
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Rejuvenation of Metallic Glasses Induced by Thermal and Pressure Loading2015

    • Author(s)
      Masato Wakeda, Narumasa Miyazaki, Shigenobu Ogata
    • Organizer
      2015 TMS Annual Meeting & Exhibition
    • Place of Presentation
      Orland, USA
    • Year and Date
      2015-03-15 – 2015-03-19
    • Related Report
      2014 Annual Research Report
  • [Presentation] 細粒銅結晶における粒界からの転位生成過程の加速分子動力学解析2015

    • Author(s)
      斎木脩平, 辻眞望, 石井明男, 譯田真人, 君塚肇, 尾方成信
    • Organizer
      日本機械学会 関西学生会平成26年度学生員卒業研究発表講演会
    • Place of Presentation
      京都大学桂キャンパス
    • Year and Date
      2015-03-14
    • Related Report
      2014 Annual Research Report
  • [Presentation] アンブレラサンプリングによる有限温度下の材料中点欠陥の拡散障壁評価2015

    • Author(s)
      高橋和平, 奥田龍, 石井明男, 譯田真人, 君塚肇, 尾方成信
    • Organizer
      日本機械学会 関西学生会平成26年度学生員卒業研究発表講演会
    • Place of Presentation
      京都大学桂キャンパス
    • Year and Date
      2015-03-14
    • Related Report
      2014 Annual Research Report
  • [Presentation] kinetic Monte Carlo法によるFe-Si合金中のらせん転位ダイナミクスの評価2015

    • Author(s)
      山口貴司, 田中柾伎, 譯田真人, 君塚肇, 尾方成信
    • Organizer
      日本機械学会 関西学生会平成26年度学生員卒業研究発表講演会
    • Place of Presentation
      京都大学桂キャンパス
    • Year and Date
      2015-03-14
    • Related Report
      2014 Annual Research Report
  • [Presentation] 面欠陥を有する銅結晶の酸化と破壊の分子動力学計算2015

    • Author(s)
      桐原圭吾, 新里秀平, 石井明男, 譯田真人, 君塚肇, 尾方成信
    • Organizer
      日本機械学会 関西学生会平成26年度学生員卒業研究発表講演会
    • Place of Presentation
      京都大学桂キャンパス
    • Year and Date
      2015-03-14
    • Related Report
      2014 Annual Research Report
  • [Presentation] Local Energy and Local Stress in Density-Functional Theory Calculations of Materials2015

    • Author(s)
      M. Kohyama, S. Kr. Bhattacharya, H. Wang, V. Sharma, S. Tanaka and Y. Shiihara
    • Organizer
      The 9th International Conference on Computational Physics (ICCP9)
    • Place of Presentation
      Singapore
    • Year and Date
      2015-01-08
    • Related Report
      2014 Annual Research Report
  • [Presentation] Adaptive-boost molecular dynamics simulation of thermally activated motions of crystal imperfections2014

    • Author(s)
      S.Ogata, A.Ishii, Y-.J. Wang
    • Organizer
      The 9th General Meeting of ACCMS-VO
    • Place of Presentation
      Okinawa
    • Year and Date
      2014-12-20 – 2014-12-22
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] First-principles derivation of nonlinear elastic constants of single crystals2014

    • Author(s)
      H. Kimizuka, T. Nishino, and S. Ogata
    • Organizer
      The 9th General Meeting of ACCMS-VO
    • Place of Presentation
      Okinawa
    • Year and Date
      2014-12-20 – 2014-12-22
    • Related Report
      2014 Annual Research Report
  • [Presentation] First principle study of interaction between solute Si and screw dislocation in Fe-Si alloy2014

    • Author(s)
      Masato Wakeda, and Shigenobu Ogata
    • Organizer
      The 9th General Meeting of ACCMS-VO
    • Place of Presentation
      Okinawa
    • Year and Date
      2014-12-20 – 2014-12-22
    • Related Report
      2014 Annual Research Report
  • [Presentation] Ab Initio Local-Energy and Local-Stress Calculations: Applications to Materials Interfaces2014

    • Author(s)
      M. Kohyama, S. Kr. Bhattacharya, H. Wang, V. Sharma, S. Tanaka and Y. Shiihara
    • Organizer
      Materials Research Society (MRS) 2014 Fall Meeting
    • Place of Presentation
      USA
    • Year and Date
      2014-12-04
    • Related Report
      2014 Annual Research Report
  • [Presentation] Density functional theory analysis of stability of Mg {10-12} <10-1-1> twin embryo and energetic of twin boundary migration2014

    • Author(s)
      Akio Ishii, and Shigenobu Ogata
    • Organizer
      Materials Research Society (MRS) 2014 Fall Meeting
    • Place of Presentation
      Boston, USA
    • Year and Date
      2014-11-30 – 2014-12-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] Molecular Dynamics Simulation of Thermal Rejuvenation of Ternary Amorphous Alloy2014

    • Author(s)
      Masato Wakeda, Narumasa Miyazaki, Junji Saida, Shigenobu Ogata
    • Organizer
      Materials Research Society (MRS) 2014 Fall Meeting
    • Place of Presentation
      Boston, USA
    • Year and Date
      2014-11-30 – 2014-12-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] 金属材料における拡散と変形の原子論的解析2014

    • Author(s)
      尾方成信
    • Organizer
      CMRI研究会
    • Place of Presentation
      東北大学金属材料研究所
    • Year and Date
      2014-11-11
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] First-Principles Local-Energy and Local-Stress Analysis of Tensile Behavior of Grain Boundaries in Al and Cu2014

    • Author(s)
      王昊, 香山 正憲, 田中 真悟, 椎原良典
    • Organizer
      日本金属学会2014年秋期講演大会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2014-09-25
    • Related Report
      2014 Annual Research Report
  • [Presentation] 離散転位動力学法によるFe-Si合金の転位挙動解析2014

    • Author(s)
      田中柾伎, 譯田真人, 君塚肇, 尾方成信
    • Organizer
      日本金属学会2014年秋期講演大会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2014-09-24 – 2014-09-26
    • Related Report
      2014 Annual Research Report
  • [Presentation] 粒界・界面の計算科学:これまでの発展と今後の展望2014

    • Author(s)
      香山 正憲
    • Organizer
      第24回格子欠陥フォーラム(日本物理学会領域10格子欠陥分科)
    • Place of Presentation
      岐阜県恵那
    • Year and Date
      2014-09-12
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 局所エネルギー・局所応力の第一原理計算法開発:粒界の不純物偏析と局所弾性定数への適用2014

    • Author(s)
      香山 正憲, S. Kr. Bhattacharya, 王 昊, 田中 真悟, 椎原良典
    • Organizer
      日本物理学会2014年秋季大会
    • Place of Presentation
      中部大学春日井キャンパス
    • Year and Date
      2014-09-08
    • Related Report
      2014 Annual Research Report
  • [Presentation] Study of Energy Barrier for Screw Dislocation in Fe-Si alloys Using Line Tension Model2014

    • Author(s)
      Shuhei Shinzato, Masato Wakeda, Hajime Kimizuka and Shigenobu Ogata
    • Organizer
      IUMRS-ICA 2014
    • Place of Presentation
      Fukuoka, Japan
    • Year and Date
      2014-08-24 – 2014-08-30
    • Related Report
      2014 Annual Research Report
  • [Presentation] Atomistic Prediction of Solute Hardening and Softening in Fe-Si Alloys2014

    • Author(s)
      Masato Wakeda, Hajime Kimizuka and Shigenobu Ogata
    • Organizer
      IUMRS-ICA 2014
    • Place of Presentation
      Fukuoka, Japan
    • Year and Date
      2014-08-24 – 2014-08-30
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Ab Initio Local Energy and Local Stress Applied to Materials Interfaces2014

    • Author(s)
      M. Kohyama, S. Kr. Bhattacharya, S. Tanaka, H. Wang, V. Sharma and Y. Shiihara
    • Organizer
      The 15th IUMRS International Conference in Asia (IUMRS-ICA2014)
    • Place of Presentation
      Fukuoka, Japan
    • Year and Date
      2014-08-24 – 2014-08-30
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Local Energy and Local Stress in Density-Functional Theory Calculations of Materials2014

    • Author(s)
      M. Kohyama
    • Organizer
      RIMS International Conference: Mathematical Challenge to a New Phase of Materials Science
    • Place of Presentation
      Kyoto, Japan
    • Year and Date
      2014-08-04 – 2014-08-05
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Atomistically Informed Creep Constitutive Equation of Nanocrystalline Metals2014

    • Author(s)
      Yunjiang Wang and Shigenobu Ogata
    • Organizer
      11th World congress on computational mechanics (WCCM 2014)
    • Place of Presentation
      Barcelona, Spain
    • Year and Date
      2014-07-20 – 2014-07-25
    • Related Report
      2014 Annual Research Report
  • [Presentation] Computational study of the effect of hydrostatic pressure on plastic deformation of metallic glass2014

    • Author(s)
      Jacob Carlsson, Masato Wakeda and Shigenobu Ogata
    • Organizer
      11th World congress on computational mechanics (WCCM 2014)
    • Place of Presentation
      Barcelona, Spain
    • Year and Date
      2014-07-20 – 2014-07-25
    • Related Report
      2014 Annual Research Report
  • [Presentation] Fe-Si 合金中の転位挙動の離散転位動力学解析2014

    • Author(s)
      田中柾伎, 譯田真人, 君塚肇, 尾方成信
    • Organizer
      第19回分子動力学シンポジウム
    • Place of Presentation
      福岡大学
    • Year and Date
      2014-05-16
    • Related Report
      2014 Annual Research Report
  • [Presentation] 外部負荷せん断応力下におけるらせん転位とSi原子との相互作用に関する 原子論的解析2014

    • Author(s)
      新里秀平, 譯田真人, 君塚肇, 尾方成信
    • Organizer
      第19回分子動力学シンポジウム
    • Place of Presentation
      福岡大学
    • Year and Date
      2014-05-16
    • Related Report
      2014 Annual Research Report
  • [Presentation] 原子論に基づくFe-Si合金の固溶強化・軟化予測2014

    • Author(s)
      譯田真人, 君塚肇, 尾方成信
    • Organizer
      第19回分子動力学シンポジウム
    • Place of Presentation
      福岡大学
    • Year and Date
      2014-05-16
    • Related Report
      2014 Annual Research Report
  • [Presentation] 第一原理局所エネルギー・局所応力計算:金属粒界の不純物偏析と局所弾性定数2014

    • Author(s)
      香山 正憲, S. Kr. Bhattacharya, 王 昊, 田中 真悟, 椎原良典
    • Organizer
      日本材料学会第19回分子動力学シンポジウム
    • Place of Presentation
      福岡大学
    • Year and Date
      2014-05-16
    • Related Report
      2014 Annual Research Report
  • [Presentation] Ab Initio Local Energy and Local Stress: Essence of the Method and Recent Applications to Surfaces, Defects, and Interfaces2014

    • Author(s)
      M. Kohyama, S. Kr. Bhattacharya, H. Wang, V. Sharma, S. Tanaka and Y. Shiihara
    • Organizer
      The 4th International Symposium on Advanced Microscopy and Theoretical Calculations, AMTC4
    • Place of Presentation
      Hamamatsu, Japan
    • Year and Date
      2014-05-06 – 2014-05-10
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Fast solute-atom diffusion channel in dislocation core2014

    • Author(s)
      Akio Ishii, Ju Li, and Shigenobu Ogata
    • Organizer
      Materials Research Society (MRS) 2014 Spring Meeting
    • Place of Presentation
      San Francisco, USA
    • Year and Date
      2014-04-21 – 2014-04-25
    • Related Report
      2014 Annual Research Report
  • [Presentation] Atomistic Estimation of Critical Resolved Shear Stress in Fe-Si alloy2014

    • Author(s)
      huhei Shinzato, Masato Wakeda, Hajime Kimizuka and Shigenobu Ogata
    • Organizer
      MRS Spring Meeting & Exhibit 2014
    • Place of Presentation
      San Francisco, USA
    • Year and Date
      2014-04-21 – 2014-04-25
    • Related Report
      2014 Annual Research Report
  • [Presentation] Ab-Initio Local-Energy and Local-Stress Analysis of Materials Interfaces and Defects2014

    • Author(s)
      香山正憲, S. Kr. Bhattacharya, H. Wang, V. Sharma, 田中真悟, 椎原良典
    • Organizer
      CMRI International Symposium 2014
    • Place of Presentation
      東北大学、宮城県
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 第一原理局所エネルギー・局所応力法の開発と金属の粒界・欠陥・表面への適用2014

    • Author(s)
      香山正憲
    • Organizer
      日本学術振興会 第133委員会 第219回研究会
    • Place of Presentation
      京都テルサ、京都府
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 塑性変形の素過程の電子・原子論による解析2014

    • Author(s)
      尾方成信
    • Organizer
      日本学術振興会 第133委員会 第219回研究会
    • Place of Presentation
      京都テルサ、京都府
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 局所エネルギー・局所応力計算法による金属中の格子欠陥特性の解明2014

    • Author(s)
      香山正憲、Somesh Bhattacharya、王昊、田中真悟、椎原良典
    • Organizer
      日本物理学会 第69回年次大会 領域2、領域10合同シンポジウム
    • Place of Presentation
      東海大学、神奈川県
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Structure and shear dynamics in binary mixtures with tunable stiffness and composition2014

    • Author(s)
      Guo-Jie J. Gao, Yun-Jiang Wang, Shigenobu Ogata
    • Organizer
      American Physical Society March Meeting
    • Place of Presentation
      Colorado, USA
    • Related Report
      2013 Annual Research Report
  • [Presentation] First-Principles Local-Energy and Local-Stress Analysis of Tensile Behavior of Grain Boundaries in Al and Cu with and without Impurities2014

    • Author(s)
      王昊, 香山正憲, 田中真悟, 椎原良典
    • Organizer
      日本金属学会春期大会
    • Place of Presentation
      東京工業大学、東京都
    • Related Report
      2013 Annual Research Report
  • [Presentation] Nonlinear defect-defect interaction in solids2013

    • Author(s)
      S.Ogata
    • Organizer
      1st Elements Strategy Initiative for Structural Materials International Workshop
    • Place of Presentation
      京都大学
    • Year and Date
      2013-01-07
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Ab Initio Local Energy and Local Stress in Materials Interfaces2013

    • Author(s)
      M. Kohyama
    • Organizer
      1st Elements Strategy Initiative for Structural Materials International Workshop
    • Place of Presentation
      京都大学
    • Year and Date
      2013-01-07
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Local-Energy and Local-Stress Calculations and XANES/ELNES Calculations by the PAW Method2013

    • Author(s)
      M. Kohyama, S. Tanaka, T. Tamura, Y. Shiihara, S. Ishibashi
    • Organizer
      10th Pacific Rim Conference on Ceramic and Glass Technology
    • Place of Presentation
      San Diego, USA
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Molecular Dynamics Study on a Thermal Rejuvenation of Amorphous Metals2013

    • Author(s)
      Shigenobu Ogata
    • Organizer
      ICF13 International Conference on Fracture 13
    • Place of Presentation
      Beijing, China
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Development of a First-Principles Code for Materials Science: Local-Energy and Local-Stress Calculations and XANES/ELNES Calculations by the PAW Method2013

    • Author(s)
      M. Kohyama, S. Tanaka, Y. Shiihara, T. Tamura
    • Organizer
      14th International Conference on Intergranular and Interphase Boundaries in Materials, iib2013
    • Place of Presentation
      Halkidiki, Greece
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] First-Principles Local-Energy and Local-Stress Calculations of Materials Interfaces2013

    • Author(s)
      M. Kohyama, S. Tanaka, S. Kr. Bhattachrya, H. Wang, V. Sharma, Y. Shiihara
    • Organizer
      7th International Conference on Materials Structure and Micromechanics of Fracture
    • Place of Presentation
      Brno, Czech
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Ab Initio Local Energy and Local Stress Calculations of Materials Interfaces2013

    • Author(s)
      M. Kohyama, S. Tanaka, S. Kr. Bhattachrya, V. Sharma, H. Wang, Y. Shiihara
    • Organizer
      8th Pacific Rim International Congress on Advanced Materials and Processing
    • Place of Presentation
      Hawaii, USA
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Atomistic Modeling of Solute Atom Effect on Mechanical Properties of Steel2013

    • Author(s)
      Shigenobu Ogata
    • Organizer
      8th Pacific Rim International Congress on Advanced Materials and Processing
    • Place of Presentation
      Hawaii, USA
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Atomistic understanding of mechanical properties of structural materials2013

    • Author(s)
      Shigenobu Ogata
    • Organizer
      KIM-JIM Symposium
    • Place of Presentation
      金沢大学、石川県
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Atomistic modeling of creep of nanocrystalline metals2013

    • Author(s)
      Shigenobu Ogata and Yunjiang Wang
    • Organizer
      Materials Science and Technology 2013
    • Place of Presentation
      Montreal, Canada
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] バルクナノ結晶のクリープ変形の原子モデリング2013

    • Author(s)
      尾方成信
    • Organizer
      第151回超塑性研究会
    • Place of Presentation
      神戸大学、兵庫県
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 粒界・界面計算の新展開:局所エネルギー・局所応力解析の適用2013

    • Author(s)
      香山正憲, 田中真悟, S. Kr. Bhattacharya, V. Sharma, 王昊, 椎原良典
    • Organizer
      日本学術振興会 第124委員会 第143回研究会
    • Place of Presentation
      東京大学、東京都
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 力学計算から見た変形の素過程2013

    • Author(s)
      尾方成信
    • Organizer
      日本金属学会秋期大会
    • Place of Presentation
      金沢大学、石川県
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 局所エネルギー・局所応力計算の数値解析技術の確立:粒界・異相界面への適用2013

    • Author(s)
      香山正憲, 王昊, S. Kr. Bhattacharya, V. Sharma, 田中真悟, 椎原良典
    • Organizer
      第18回分子動力学シンポジウム
    • Place of Presentation
      東京工業大学、東京都
    • Related Report
      2013 Annual Research Report
  • [Presentation] Atomistic Understanding on Creep in Bulk Nanostructured Metals2013

    • Author(s)
      Yun-Jiang Wang, Guo-Jie Jason Gao, Shigenobu Ogata
    • Organizer
      ICF13 International Conference on Fracture 13
    • Place of Presentation
      Beijing, China
    • Related Report
      2013 Annual Research Report
  • [Presentation] Ab Initio Local Energy and Local Stress Calculations of Grain Boundaries in Al and Cu2013

    • Author(s)
      H. Wang, S. Tanaka, Y. Shiihara, M. Kohyama
    • Organizer
      14th International Conference on Intergranular and Interphase Boundaries in Materials, iib2013
    • Place of Presentation
      Halkidiki, Greece
    • Related Report
      2013 Annual Research Report
  • [Presentation] Structure and dynamics in binary mixtures with tunable composition and stiffness2013

    • Author(s)
      Guo-Jie J. Gao, Yun-Jiang Wang, Shigenobu Ogata
    • Organizer
      Physics of Glassy and Granular Materials Workshop
    • Place of Presentation
      京都大学、京都府
    • Related Report
      2013 Annual Research Report
  • [Presentation] Development of Ab Initio Local Energy and Local Stress Schemes2013

    • Author(s)
      M. Kohyama, Y. Shiihara, S. Tanaka, S. Ishibashi
    • Organizer
      International Symposium on Atomistic Modeling for Mechanics and Multiphysics of Materials, ISAM4
    • Place of Presentation
      東京大学、東京都
    • Related Report
      2013 Annual Research Report
  • [Presentation] Ab Initio Local Energy and Local Stress Calculations of Grain Boundaries in Al and Cu2013

    • Author(s)
      H. Wang, S. Tanaka, Y. Shiihara, M. Kohyama
    • Organizer
      International Symposium on Atomistic Modeling for Mechanics and Multiphysics of Materials, ISAM4
    • Place of Presentation
      東京大学、東京都
    • Related Report
      2013 Annual Research Report
  • [Presentation] First-Principles Local-Energy and Local-Stress Calculations of Grain Boundaries in Al and Cu: Effects of Impurities and Local Young’s Modulus2013

    • Author(s)
      王昊, 香山正憲, 田中真悟, 椎原良典
    • Organizer
      日本金属学会秋期大会
    • Place of Presentation
      金沢大学、石川県
    • Related Report
      2013 Annual Research Report
  • [Presentation] Molecular Dynamics Simulations of Fast Diffusion Channels in Bulk Nanostructured Metals2013

    • Author(s)
      Yun-Jiang Wang, Guo-Jie Jason Gao, Shigenobu Ogata
    • Organizer
      日本金属学会秋期大会
    • Place of Presentation
      金沢大学、石川県
    • Related Report
      2013 Annual Research Report
  • [Presentation] 局所エネルギー・局所応力の第一原理解析:鉄粒界への適用2013

    • Author(s)
      香山正憲, S. Kr. Bhattacharya, 田中真悟, 椎原良典
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      徳島大学、徳島県
    • Related Report
      2013 Annual Research Report
  • [Presentation] 局所エネルギー・局所応力の第一原理計算:粒界の不純物偏析と局所弾性定数への適用2013

    • Author(s)
      香山正憲, S. Kr. Bhattacharya, H. Wang, 田中真悟, 椎原良典
    • Organizer
      日本機械学会 第26回 計算力学講演会
    • Place of Presentation
      佐賀大学、佐賀県
    • Related Report
      2013 Annual Research Report
  • [Presentation] 局所エネルギー・局所応力の第一原理計算法の開発:材料界面への適用2013

    • Author(s)
      香山正憲, S. Kr. Bhattacharya, H. Wang, 田中真悟, 椎原良典
    • Organizer
      第57回日本学術会議材料工学連合講演会
    • Place of Presentation
      京都テルサ、京都府
    • Related Report
      2013 Annual Research Report
  • [Presentation] How nanostructured metals creep at conditions of extreme stress and temperature2013

    • Author(s)
      Yun-Jiang Wang, Akio Ishii, Guo-Jie Jason Gao, Shigenobu Ogata
    • Organizer
      2013 MRS Fall Meeting
    • Place of Presentation
      Boston, USA
    • Related Report
      2013 Annual Research Report
  • [Presentation] 局所エネルギー・局所応力の第一原理解析:金属粒界や異相界面への適用2013

    • Author(s)
      香山正憲
    • Organizer
      日本物理学会第68回年次大会
    • Place of Presentation
      広島大学
    • Related Report
      2012 Annual Research Report
  • [Presentation] First-Principles Local-Energy and Local-Stress Calculations of Al Grain Boundaries: Effects of Impurities2013

    • Author(s)
      王昊
    • Organizer
      日本金属学会2013年春期大会
    • Place of Presentation
      東京理科大学
    • Related Report
      2012 Annual Research Report
  • [Presentation] 格子欠陥における原子拡散と材料変形のモデリング2013

    • Author(s)
      尾方成信
    • Organizer
      日本物理学会春季大会
    • Place of Presentation
      広島大学
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 金属ガラスおよび金属ナノ結晶の変形素過程の原子モデリング2013

    • Author(s)
      尾方成信
    • Organizer
      日本金属学会春期大会
    • Place of Presentation
      東京理科大学
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Slow down creep of nanocrystalline metals by nanotwinning2012

    • Author(s)
      Y.J.Wang
    • Organizer
      2012 MRS Fall meeting
    • Place of Presentation
      Boston, USA
    • Year and Date
      2012-11-25
    • Related Report
      2012 Annual Research Report
  • [Presentation] First-principles Local-energy and Local-stress Calculations of Grain Boundaries and Interfaces2012

    • Author(s)
      M. Kohyama
    • Organizer
      2012 MRS Fall meeting
    • Place of Presentation
      Boston, USA
    • Year and Date
      2012-11-25
    • Related Report
      2012 Annual Research Report
  • [Presentation] Atomistic modeling of diffusion dynamics2012

    • Author(s)
      S.Ogata
    • Organizer
      Nuclear Materials Conference (NuMat2012)
    • Place of Presentation
      大阪国際交流センター
    • Year and Date
      2012-10-21
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Understanding creep in nanocrystalline metals by molecular dynamics2012

    • Author(s)
      Y.J.Wang
    • Organizer
      MMM2012 6th International Conference on Multiscale Materials Modeling
    • Place of Presentation
      Biopolis, Singapore
    • Year and Date
      2012-10-15
    • Related Report
      2012 Annual Research Report
  • [Presentation] Atomistic modeling of diffusion dynamics in metals2012

    • Author(s)
      S.Ogata
    • Organizer
      6th International Conference on Multiscale Materials Modeling (MMM2012)
    • Place of Presentation
      Biopolis, SIngapore
    • Year and Date
      2012-10-15
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Modeling and simulation of atomic diffusion and creep deformation2012

    • Author(s)
      S.Ogata
    • Organizer
      IUMRS-International conference on Electronic Materials
    • Place of Presentation
      パシフィコ横浜
    • Year and Date
      2012-09-23
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] First-Principles Local-Energy and Local-Stress Calculations of Grain Boundaries in Al and Cu2012

    • Author(s)
      王昊
    • Organizer
      日本金属学会2012年秋期大会
    • Place of Presentation
      愛媛大学
    • Year and Date
      2012-09-17
    • Related Report
      2012 Annual Research Report
  • [Presentation] Slow diffusion creep deformation of bulk nanostructured metals by inserting intergrain nanotwin2012

    • Author(s)
      Y.J.Wang
    • Organizer
      日本金属学会2012年秋期大会
    • Place of Presentation
      愛媛大学
    • Year and Date
      2012-09-17
    • Related Report
      2012 Annual Research Report
  • [Presentation] Atomistic modeling of slow dynamics in nanocrystalline metals2012

    • Author(s)
      S.Ogata
    • Organizer
      International workshop on bulk nanostructured metals
    • Place of Presentation
      京都大学
    • Year and Date
      2012-06-26
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Modeling and simulation of diffusion behavior of hydrogen and carbon in iron2012

    • Author(s)
      S.Ogata
    • Organizer
      The 3rd International Symposium on Steel Science
    • Place of Presentation
      関西セミナーハウス
    • Year and Date
      2012-05-27
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Development of a First-Principles Code for Materials Science: Local Energy-Density and Stress-Density Calculations and XANES/ELNES Calculations by the PAW Method2012

    • Author(s)
      M. Kohyama
    • Organizer
      3rd International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC3)
    • Place of Presentation
      長良川国際会議場
    • Year and Date
      2012-05-09
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] First-Principles Local Energy and Local Stress Calculations of Metallic Grain Boundaries2012

    • Author(s)
      香山正憲、斎藤繁喜、田中真悟、椎原良典
    • Organizer
      第21回日本MRS学術シンポジウム
    • Place of Presentation
      関西学院大学(兵庫県)
    • Year and Date
      2012-03-29
    • Related Report
      2011 Annual Research Report
  • [Presentation] 材料中の粒界・界面・欠陥の局所エネルギー・局所応力の第一原理解析2012

    • Author(s)
      香山正憲、斎藤繁喜、田中真悟、椎原良典、石橋章司
    • Organizer
      日本金属学会2012年春期大会
    • Place of Presentation
      横浜国立大学(神奈川県)
    • Year and Date
      2012-03-29
    • Related Report
      2011 Annual Research Report
  • [Presentation] 材料の変形と強度のモデリングおよびシミュレーション2012

    • Author(s)
      尾方成信
    • Organizer
      日本鉄鋼協会シンポジウム
    • Place of Presentation
      横浜国立大学(神奈川県)(招待講演)
    • Year and Date
      2012-03-28
    • Related Report
      2011 Annual Research Report
  • [Presentation] Molecular Dynamics Study of Deformation Mechanism Map of Nanostructured Metal2012

    • Author(s)
      S.Ogata, Y.J.Wang, G.J.Gao
    • Organizer
      TMS 2012
    • Place of Presentation
      米国(オーランド)
    • Year and Date
      2012-03-12
    • Related Report
      2011 Annual Research Report
  • [Presentation] 欠陥を有するBCC鉄中の水素原子拡散挙動の解析2012

    • Author(s)
      尾方成信、君塚肇
    • Organizer
      「水素脆化研究の基盤構築」フォーラム
    • Place of Presentation
      上智大学(東京都)(招待講演)
    • Year and Date
      2012-03-02
    • Related Report
      2011 Annual Research Report
  • [Presentation] 金属粒界・欠陥の局所エネルギー・局所応力の第一原理解析:Voronoi積分とBader積分の適用2012

    • Author(s)
      香山正憲
    • Organizer
      日本材料学会第17回分子動力学シンポジウム
    • Place of Presentation
      東京大学生産技術研究所
    • Related Report
      2012 Annual Research Report
  • [Presentation] First-Principles Local Energy and Local Stress Calculations: Applications to Metallic Grain Boundaries and Defects2012

    • Author(s)
      M. Kohyama
    • Organizer
      International Workshop on Bulk Nanostructured Metals
    • Place of Presentation
      京都大学
    • Related Report
      2012 Annual Research Report
  • [Presentation] 局所エネルギー・局所応力の第一原理解析:金属の粒界・欠陥への適用2012

    • Author(s)
      Hao Wang
    • Organizer
      日本物理学会2012年秋季大会
    • Place of Presentation
      横浜国立大学
    • Related Report
      2012 Annual Research Report
  • [Presentation] First-Principles Local-Energy and Local-Stress Calculations by the PAW Method: Applications to Metallic Grain Boundaries2012

    • Author(s)
      M. Kohyama
    • Organizer
      International Union of Materials Research Societies #8211; International Conference on Electronic Materials, IUMRS-ICEM 2012
    • Place of Presentation
      パシフィコ横浜
    • Related Report
      2012 Annual Research Report
  • [Presentation] 局所エネルギー・局所応力の第一原理解析:金属粒界・欠陥への適用2012

    • Author(s)
      香山正憲
    • Organizer
      日本機械学会第25回計算力学講演会
    • Place of Presentation
      甲南大学
    • Related Report
      2012 Annual Research Report
  • [Presentation] First-Principles Local-Energy and Local-Stress Calculations of Metallic Grain Boundaries2012

    • Author(s)
      M. Kohyama
    • Organizer
      KIM-JIM symposium in 2012 Fall Conference of the Korea Institute of Metals and Materials
    • Place of Presentation
      釜山、韓国
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 金属中の粒界・界面の第一原理計算:力学特性の解明に向けて2012

    • Author(s)
      香山正憲
    • Organizer
      計算材料科学研究拠点(CMRI)第一回シンポジウム
    • Place of Presentation
      東北大学
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 金属中の粒界・界面の第一原理解析2012

    • Author(s)
      香山正憲
    • Organizer
      日本金属学会2012年秋期大会シンポジウム
    • Place of Presentation
      愛媛大学
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 構造材料中の粒界・界面の局所エネルギー・局所応力解析2012

    • Author(s)
      香山正憲
    • Organizer
      第一回CMSI元素戦略シンポジウム
    • Place of Presentation
      八重洲カンファレンスセンター
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Atomistic Modeling of Diffusion and Deformation2011

    • Author(s)
      尾方成信
    • Organizer
      第21回日本MRS学術シンポジウム
    • Place of Presentation
      横浜開港記念館(神奈川県)(招待講演)
    • Year and Date
      2011-12-19
    • Related Report
      2011 Annual Research Report
  • [Presentation] ナノ結晶のクリープ変形の原子シミュレーション2011

    • Author(s)
      尾方成信
    • Organizer
      計算材料科学研究拠点第2回シンポジウム
    • Place of Presentation
      東北大学(宮城県)(招待講演)
    • Year and Date
      2011-12-06
    • Related Report
      2011 Annual Research Report
  • [Presentation] Atomistic simulation on strength of bulk nanostructured metals2011

    • Author(s)
      G.J.Gao, Y.J.Wang, S.Ogata
    • Organizer
      Third International Symposium on Computational Mechanics (ISCM III)
    • Place of Presentation
      台北(台湾)
    • Year and Date
      2011-12-05
    • Related Report
      2011 Annual Research Report
  • [Presentation] Creep mechanisms and temperature dependent entropic effect in nanocrystal2011

    • Author(s)
      Y.J.Wang, A.Ishii, S.Ogata
    • Organizer
      Materials Research Society (MRS) Fall Meeting
    • Place of Presentation
      米国(ボストン)
    • Year and Date
      2011-12-01
    • Related Report
      2011 Annual Research Report
  • [Presentation] First-Principles Local Energy and Local Stress Calculations of Grain Boundaries2011

    • Author(s)
      M.Kohyama, S.Saitou, S.Tanaka, Y.Shiihara, S.Ishibashi
    • Organizer
      Materials Science and Innovation for Sustainable Society
    • Place of Presentation
      ホテル阪急エキスポパーク(大阪府)
    • Year and Date
      2011-11-28
    • Related Report
      2011 Annual Research Report
  • [Presentation] 材料の変形のモデリング2011

    • Author(s)
      尾方成信
    • Organizer
      材料力学談話会
    • Place of Presentation
      大阪科学技術センター(大阪府)(招待講演)
    • Year and Date
      2011-11-16
    • Related Report
      2011 Annual Research Report
  • [Presentation] First-Principles Calculations of Local Energy and Local Stress in Materials Interfaces2011

    • Author(s)
      M.Kohyama, S.Saitou, S.Tanaka, Y.Shiihara, S.Ishibashi
    • Organizer
      15th International Conference on Thin Films, ICTF15
    • Place of Presentation
      京都テルサ(京都府)
    • Year and Date
      2011-11-11
    • Related Report
      2011 Annual Research Report
  • [Presentation] 金属の積層欠陥の第一原理計算2011

    • Author(s)
      香山正憲、斎藤繁喜、田中真悟、椎原良典
    • Organizer
      日本金属学会2011年秋期大会
    • Place of Presentation
      沖縄コンベンションセンター(沖縄県)
    • Year and Date
      2011-11-09
    • Related Report
      2011 Annual Research Report
  • [Presentation] Atomistic simulation on strength of bulk nanostructured metals2011

    • Author(s)
      G.J.Gao, Y.J.Wang, S.Ogata
    • Organizer
      日本金属学会2011年秋期大会
    • Place of Presentation
      沖縄コンベンションセンター(沖縄県)
    • Year and Date
      2011-11-09
    • Related Report
      2011 Annual Research Report
  • [Presentation] Identifying Competing Deformation Mechanisms in Nanocrystal by Mole cular Dynamics2011

    • Author(s)
      Y.J.Wang, G.J.Gao, S.Ogata
    • Organizer
      日本金属学会2011年秋期大会
    • Place of Presentation
      沖縄コンベンションセンター(沖縄県)
    • Year and Date
      2011-11-09
    • Related Report
      2011 Annual Research Report
  • [Presentation] 固体材料中のスローダイナミクスの原子スケール解析2011

    • Author(s)
      尾方成信
    • Organizer
      日本材料学会分子動力学部門委員会公開部門委員会
    • Place of Presentation
      名古屋大学(愛知県)(招待講演)
    • Year and Date
      2011-11-01
    • Related Report
      2011 Annual Research Report
  • [Presentation] First-Principles Modeling of Deformation and Diffusion2011

    • Author(s)
      S.Ogata
    • Organizer
      The 14th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      東京大学(東京都)(招待講演)
    • Year and Date
      2011-10-31
    • Related Report
      2011 Annual Research Report
  • [Presentation] Atomistic simulation on strength of bulk nanostructured metals2011

    • Author(s)
      G.J.Gao, Y.J.Wang, S.Ogata
    • Organizer
      Japan-China Nano-Structure Research Workshop
    • Place of Presentation
      立命館大学(滋賀県)(招待講演)
    • Year and Date
      2011-10-29
    • Related Report
      2011 Annual Research Report
  • [Presentation] Creep Mechanism Transition in Nanocrystalline Metals2011

    • Author(s)
      Y.J.Wang, G.J.Gao, A.Ishii, S.Ogata
    • Organizer
      Japan-China Nano-Structure Research Workshop
    • Place of Presentation
      立命館大学(滋賀県)(招待講演)
    • Year and Date
      2011-10-29
    • Related Report
      2011 Annual Research Report
  • [Presentation] 金属中の粒界・界面の第一原理計算:局所エネルギー密度・応力密度による解析2011

    • Author(s)
      香山正憲、斎藤繁喜、田中真悟、椎原良典、石橋章司
    • Organizer
      第55回日本学術会議材料工学連合講演会
    • Place of Presentation
      京都教育文化センター(京都府)
    • Year and Date
      2011-10-21
    • Related Report
      2011 Annual Research Report
  • [Presentation] 局所エネルギー密度・応力密度による結晶粒界の第一原理解析2011

    • Author(s)
      香山正憲、斎藤繁喜、田中真悟、椎原良典、石橋章司
    • Organizer
      日本機械学会第24回計算力学講演会
    • Place of Presentation
      岡山大学(岡山県)
    • Year and Date
      2011-10-08
    • Related Report
      2011 Annual Research Report
  • [Presentation] Adaptive boosting method for accelerated molecular dynamics2011

    • Author(s)
      A.Ishii, S.Ogata, H.Kimizuka
    • Organizer
      International Symposium on Atomistic Modelling for Mechanics and Multiphysics of Materials
    • Place of Presentation
      東京大学(東京都)
    • Year and Date
      2011-07-22
    • Related Report
      2011 Annual Research Report
  • [Presentation] Exploring creep mechanisms in nanocrystal by molecular dynamics2011

    • Author(s)
      Y.J.Wang, I.Tirtom, S.Ogata
    • Organizer
      International Symposium on Atomistic Modelling for Mechanics and Multiphysics of Materials
    • Place of Presentation
      東京大学(東京都)
    • Year and Date
      2011-07-22
    • Related Report
      2011 Annual Research Report
  • [Presentation] Free Energy of Dislocation Nucleation from Grain Boundary at Finite Temperature2011

    • Author(s)
      I.Tirtom, Y.J.Wang, S.Ogata
    • Organizer
      International Symposium on Atomistic Modelling for Mechanics and Multiphysics of Materials
    • Place of Presentation
      東京大学(東京都)
    • Year and Date
      2011-07-22
    • Related Report
      2011 Annual Research Report
  • [Presentation] Ab Initio Local Energy and Stress Applied to Grain Boundaries2011

    • Author(s)
      M.Kohyama, S.Saitou, S.Tanaka, Y.Shiihara, S.Ishibashi
    • Organizer
      International Symposium on Atomistic Modelling for Mechanics and Multiphysics of Materials
    • Place of Presentation
      東京大学(東京都)
    • Year and Date
      2011-07-22
    • Related Report
      2011 Annual Research Report
  • [Presentation] 第一原理による局所エネルギー密度・局所応力密度解析:粒界・界面への適用2011

    • Author(s)
      香山正憲、斎藤繁喜、田中真悟、椎原良典、石橋章司
    • Organizer
      材料学会第1回マルチスケールマテリアルモデリングシンポジウム
    • Place of Presentation
      大阪大学(大阪府)(招待講演)
    • Year and Date
      2011-05-23
    • Related Report
      2011 Annual Research Report
  • [Presentation] Adaptive Boost法の開発とそれを用いた鉄中炭素拡散の解析2011

    • Author(s)
      石井明男, 尾方成信, 君塚肇
    • Organizer
      材料学会第1回マルチスケールマテリアルモデリングシンポジウム
    • Place of Presentation
      大阪大学(大阪府)(MD賞受賞)
    • Year and Date
      2011-05-23
    • Related Report
      2011 Annual Research Report
  • [Presentation] レプリカ交換分子動力学法による鉄中炭素拡散現象2011

    • Author(s)
      林雄一郎, 石井明男, 尾方成信, 君塚肇
    • Organizer
      材料学会第1回マルチスケールマテリアルモデリングシンポジウム
    • Place of Presentation
      大阪大学(大阪府)
    • Year and Date
      2011-05-23
    • Related Report
      2011 Annual Research Report
  • [Presentation] First-Principles Modeling of Deformation and Diffusion at Nano-Scale2011

    • Author(s)
      S.Ogata
    • Organizer
      Int.Workshop on Nanoindentation Related Research
    • Place of Presentation
      西安(中国)(招待講演)
    • Year and Date
      2011-05-20
    • Related Report
      2011 Annual Research Report
  • [Presentation] 鉄中水素の量子拡散と捕捉ダイナミクスの温度効果2011

    • Author(s)
      君塚肇, 山田和弘, 尾方成信
    • Organizer
      日本金属学会2011年春期大会
    • Place of Presentation
      東京都市大学
    • Year and Date
      2011-03-25
    • Related Report
      2010 Annual Research Report
  • [Presentation] 材料のナノスケール力学とその数値解析2011

    • Author(s)
      尾方成信
    • Organizer
      関西大学第15回先端技術シンポジウム
    • Place of Presentation
      関西大学(招待講演)
    • Year and Date
      2011-01-13
    • Related Report
      2010 Annual Research Report
  • [Presentation] 欠陥場-拡散場相互作用系のマイクロスコピックフェーズフィールドモデリング2010

    • Author(s)
      森英喜, 竹中唯太, 君塚肇, 尾方成信
    • Organizer
      第20回日本MRS学術シンポジウム
    • Place of Presentation
      横浜(招待講演)
    • Year and Date
      2010-12-21
    • Related Report
      2010 Annual Research Report
  • [Presentation] BCC鉄における水素の粒界・転位・表面拡散の量子動力学2010

    • Author(s)
      君塚肇, 山田和弘, 尾方成信
    • Organizer
      第20回日本MRS学術シンポジウム
    • Place of Presentation
      横浜
    • Year and Date
      2010-12-21
    • Related Report
      2010 Annual Research Report
  • [Presentation] Fist Principle Constitutive Equation for Nonlinear Elasticity2010

    • Author(s)
      S.Ogata, H.Kimizuka
    • Organizer
      MRS Fall Meeting
    • Place of Presentation
      アメリカ・ボストン
    • Year and Date
      2010-12-02
    • Related Report
      2010 Annual Research Report
  • [Presentation] Microscopic Phase Field Study of Hydrogen Transport by Dislocation in BCC Iron2010

    • Author(s)
      H.Mori, Y.Takenaka, H.Kimizuka, S.Ogata
    • Organizer
      MRS Fall Meeting
    • Place of Presentation
      アメリカ・ボストン
    • Year and Date
      2010-12-02
    • Related Report
      2010 Annual Research Report
  • [Presentation] 鉄における水素の拡散・捕捉現象の量子動力学シミュレーション2010

    • Author(s)
      君塚肇, 山田和弘, 森英喜, 尾方成信
    • Organizer
      第24回分子シミュレーション討論会
    • Place of Presentation
      福井
    • Year and Date
      2010-11-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] Ab Initio Energy-Density and Stress-Density Schemes : Applications to Metallic Surfaces and Interfaces2010

    • Author(s)
      M.Kohyama, Y.Shiihara, S.Ishibashi
    • Organizer
      The 13th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      浦項・韓国(招待講演)
    • Year and Date
      2010-11-02
    • Related Report
      2010 Annual Research Report
  • [Presentation] Dynamic Process in Nanoscale Systems2010

    • Author(s)
      S.Ogata
    • Organizer
      Seminar of School of Mater.Sci.and Eng., Shanghai Jiaoton Univ.
    • Place of Presentation
      中国・上海(招待講演)
    • Year and Date
      2010-09-29
    • Related Report
      2010 Annual Research Report
  • [Presentation] Modeling of Slow Dynamics in Nanoscale Systems2010

    • Author(s)
      S.Ogata
    • Organizer
      IUMRS-ICA2010 IUMRS 11^<th> Int.Conf. in Asia
    • Place of Presentation
      中国・青島(招待講演)
    • Year and Date
      2010-09-26
    • Related Report
      2010 Annual Research Report
  • [Presentation] フェーズフィールド法を用いた転位の運動と水素拡散の相互作用解析2010

    • Author(s)
      森英喜, 竹中唯太, 君塚肇, 尾方成信
    • Organizer
      日本金属学会2010年秋季大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2010-09-25
    • Related Report
      2010 Annual Research Report
  • [Presentation] 鉄中炭素挙動と炭素が鉄の力学的特性に与える影響の原子レベル解析2010

    • Author(s)
      毛利圭佑, 森英喜, 君塚肇, 尾方成信
    • Organizer
      日本機械学会第23回計算力学講演会
    • Place of Presentation
      北見工業大学
    • Year and Date
      2010-09-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] フェーズフィールドモデルを用いた転位の運動に水素が与える影響の解析2010

    • Author(s)
      森英喜, 竹中唯太, 君塚肇, 尾方成信
    • Organizer
      日本機械学会第23回計算力学講演会
    • Place of Presentation
      北見工業大学
    • Year and Date
      2010-09-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] 経路積分分子動力学法による鉄中の転位近傍における水素挙動解析2010

    • Author(s)
      山田和弘, 君塚肇, 尾方成信
    • Organizer
      日本機械学会第23回計算力学講演会
    • Place of Presentation
      北見工業大学
    • Year and Date
      2010-09-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] 量子揺らぎを考慮したFe結晶中の格子欠陥近傍における水素状態解析2010

    • Author(s)
      君塚肇, 森英喜, 尾方成信
    • Organizer
      日本物理学会2010年秋季大会(物性関係)
    • Place of Presentation
      大阪府立大学
    • Year and Date
      2010-09-23
    • Related Report
      2010 Annual Research Report
  • [Presentation] Quantum Dynamics Study of Hydrogen Diffusion in Iron with Lattice Defects2010

    • Author(s)
      H.Kimizuka, H.Mori, S.Ogata
    • Organizer
      Conference on Multiscale Materials Modeling
    • Place of Presentation
      ドイツ・フライブルグ
    • Year and Date
      2010-09-06
    • Related Report
      2010 Annual Research Report
  • [Presentation] First-Principles Study of the Bonding and Mechanical Properties of Metallic Grain Boundaries2010

    • Author(s)
      M.Kohyama, S.Tanaka, R.Z.Wang, Y.Shiihara, S.Saitou, T.Tamura, S.Ishibashi
    • Organizer
      12^<th> International Conference on Aluminum Alloys (ICAA12)
    • Place of Presentation
      横浜(招待講演)
    • Year and Date
      2010-09-05
    • Related Report
      2010 Annual Research Report
  • [Presentation] First-Principles Studies of Materials Interfaces2010

    • Author(s)
      M.Kohyama, S.Tanaka, Y.Shiihara, T.Tamura, S.Ishibashi
    • Organizer
      The 7th Pacific Rim Int.Conf. on Advanced Materials and Processing
    • Place of Presentation
      ケアンズ・オーストラリア(招待講演)
    • Year and Date
      2010-08-06
    • Related Report
      2010 Annual Research Report
  • [Presentation] 構造材料の力学挙動のナノスケールからの理解2010

    • Author(s)
      尾方成信
    • Organizer
      東北大学金属研究所シンポジウム
    • Place of Presentation
      東北大学金属材料研究所(招待講演)
    • Year and Date
      2010-07-26
    • Related Report
      2010 Annual Research Report
  • [Presentation] 計算材料科学による材料界面の解明と設計2010

    • Author(s)
      香山正憲、田中真悟、椎原良典、田村友幸、石橋章司
    • Organizer
      東北大学金属研究所シンポジウム
    • Place of Presentation
      東北大学金属材料研究所(招待講演)
    • Year and Date
      2010-07-26
    • Related Report
      2010 Annual Research Report
  • [Presentation] Modeling of Dynamic Processes in Nanoscale Systems2010

    • Author(s)
      S.Ogata
    • Organizer
      Int.Symp. on Multi-scale Modeling and Simulation of Materials
    • Place of Presentation
      中国・瀋陽(招待講演)
    • Year and Date
      2010-07-10
    • Related Report
      2010 Annual Research Report

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Published: 2010-08-23   Modified: 2019-07-29  

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