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Hierarchical Estimamtion of Materials Strength by MD Simulations (New Sophisticated Approach)

Research Project

Project/Area Number 09044165
Research Category

Grant-in-Aid for Scientific Research (B).

Allocation TypeSingle-year Grants
Section一般
Research Field Materials/Mechanics of materials
Research InstitutionOsaka University

Principal Investigator

KITAGAWA Hiroshi  Grad. School of Eng., Osaka Univ., Professor, 大学院・工学研究科, 教授 (30029095)

Co-Investigator(Kenkyū-buntansha) KITAMURA Takayuki  Grad. School of Eng., Kyoto Univ., Professor, 工学研究科, 教授 (20169882)
AKAHOSHI Yasuhiro  Fac. of Eng., Kyusyu Tech. Univ., Associate Professor, 工学部, 助教授 (60222519)
SHIBUTANI Yoji  Grad. School of Eng., Osaka Univ., Professor, 大学院・工学研究科, 教授 (70206150)
OGATA Shigenobu  Grad. School of Eng., Osaka Univ., Research Associate, 大学院・工学研究科, 助手 (20273584)
NAKATANI Akihiro  Grad. School of Eng., Osaka Univ., Associate Professor, 大学院・工学研究科, 助教授 (50252606)
VACLAV Vitek  ペンシルベニア大学, 材料科学工学科, 教授
SIEGFRIED Sc  シュツッツガルト大学, 材料工学科, 教授
VITEK V.  ペンシルバニア大学, 材料化学工学科, 教授
GUMBSCH P.  マックスプランク研究所, 研究員
SCHMAUDER S.  シュツッツガルト大学, 材料工学科, 教授
Project Period (FY) 1997 – 1999
Project Status Completed (Fiscal Year 1999)
Budget Amount *help
¥11,500,000 (Direct Cost: ¥11,500,000)
Fiscal Year 1999: ¥3,700,000 (Direct Cost: ¥3,700,000)
Fiscal Year 1998: ¥4,400,000 (Direct Cost: ¥4,400,000)
Fiscal Year 1997: ¥3,400,000 (Direct Cost: ¥3,400,000)
KeywordsMolecular dynamics / Continuum / Multiscale modeling / Discrete dislocation dynamics / Ab-initio calculation / Finite element method / Evaluation of materials strength / 分子動力学 / メゾスコーピックダイナミックス / 計算機シミュレーション / 階層構造 / 第一原理計算 / 解散転位法
Research Abstract

We've been collaborating on new sophisticated multiscale methodology for the evaluations of materials strength for three years, from the fiscal year of 1997 to 1999. Ranging widely from the electric states to the macroscopic stress field in the same condensed matters, appropriate methodologies dependent on each scale have so far been developed. For example, ab-initio calculations, molecular dynamics, discrete dislocation dynamics and finite element method are all available. The goal of this project was to find how to link each tool together and what kind of approach was much encouraged as a prospective method through the deep open discussions between members.
The first meeting in 1997 was held in Osaka joining with the 3rd Molecular Dynamics Symposium organized by the Society of Materials Science, Japan. The second in 1998 was held in Stuttgart (Germany) Max-Planck Institute with two different workshops organized by the Max-Planck Institute and Univ. of Stuttgart. And the last meeting in 1999 was held in Tokyo with the National Congress of the Japan Society of Mechanical Engineers (JSME). Each meeting consisted of presentations by the proper members plus some cooperative researchers of this project.
A report summarized papers written by the members has been published each year. Especially, a special issue for this project was published in Dec., 1999 in the Materials Science Research International (MSRI). Three review papers and three original papers were in it . It is worth noting that some of review papers were written by the joint group within members.

Report

(4 results)
  • 1999 Annual Research Report   Final Research Report Summary
  • 1998 Annual Research Report
  • 1997 Annual Research Report
  • Research Products

    (108 results)

All Other

All Publications (108 results)

  • [Publications] Kitagawa, H., Nakatani, A., Ogata, S., Saitou, K. & Maegawa, Y.: "Atomic Deffusion near Al Grain Boundary (Molecular Dynamics Analysis Based on Effective-Medium Theory)"JSME Int. J.. 40・3. 203-210 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Y. Shibutani. V. Vitek & J. L. Bassani: "Nonlocal Properties of Inhomogeneous Structures by Linking Approach of Generalized Continuum to Atomistic Model"Int. J. Mech. Sci. 40・2-3. 129-137 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Y. Shibutani: "Instability Analysis of Stress-induced Phase Transformation"Mesoscopic Dynamics of Fracture (eds. H. Kitagawa, T. Aihara Jr. Y. Kawazoe ). 100-110 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] 北村隆行、梅野宜崇: "第一原理分子動力学法によるアルミニウムS9傾角粒界の構造および特性解析"日本機械学会論文集,A編. 64・626. 2463-2470 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Takayuki Kitamura, Kisaragi Yashiro & Ryuichi Otani: "Criteria for Nucleation of a Cleavage Crack and a Dislocation In a Nickel Single Crystal Based on Molecular Dynamics"Mesoscopic Dynamics of Fracture (eds. H. Kitagawa, T. Aihara Jr. Y. Kawazoe ). 120-130 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] 中谷彰宏、北川浩、西山英俊: "均質化法を用いたマクロき裂とミクロき裂群間の弾性相互干渉効果の検討"日本機械学会論文集(A編). 64・628. 2889-2894 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Akihiro Nakatani, Hiroshi Kitagawa, & Makoto Sugizaki: "Discrete Dislocation Dynamics Study on Distribution of Dislocations and Stress Field near Crack Tip"Mesoscopic Dynamics of Fracture (eds. H. Kitagawa, T. Aihara Jr. Y. Kawazoe ). 143-154 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] S. Ogata & H. Kitagawa: "Ab-initio Tensile Simulation of Al, AIN and Al/AIN Composite"Mesoscopic Dynamics of Fracture (eds. H. Kitagawa, T. Aihara Jr. Y. Kawazoe ). 176-184 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] D. Uhlmann, P. Klzler, & S. Schmauder: "From Nanoscale top Macroscale : Study of Damage in Steels with Cu Precipitates using Macromechanically Based Stress-Strain Curves"Proc. 19th Risoe International Symposium on Materials Science : Modelling of Structure and Mechanics of Materials from Microscale to product. 529-534 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] S. Y. Hu, M. Ludwig, P. Klzler & S. Schmauder: "Atomistic simulations of deformation and fracture of a-Fe"Mater. Sci. Eng.. 6. 567-586 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] P. Gumbsch, J. Riedle, A. Hartmaier & H. F. Fischmeister: "Controlling Factors for the Brittle-to-Ductile Transition in Tungsten Single Crystals"SCIENCE. 282・13. 1293-1295 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Mikulla, J. Stadler, F. Kurl, H.-R. Trebin, & P. Gumbsch: "Crack Propagation in Quasicrystals"Phy. Rev. Lett.. 81・15. 3163-3166 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Ludwig & P. Gumbsch: "Cleavage fracture and crack tip dislocation emission in B2 NiAl : An atomistic study"Acta Mater.. 46・9. 3135-3143 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M, Sob, L. G. Wang & V. Vitek: "Ab initio calculation of the ideal tensile strength in copper and nickel aluminide"Metallic Materials. 36. 145 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M, Sob, L. G. Wang & V. Vitek: "The role of higher-symmetry phases in anisotropy of theoretical tensile strength of metals and Intermetallics"Phil. Mag. B. 78. 653 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Saitoh, K. & Kitagawa, H.: "Atomic Migration and Dynamic Rearrangement near Al Grain Boundary"Mesoscopic Dynamics of Fracture (eds. H. Kitagawa, T. Aihara Jr. Y. Kawazoe ). 1. 132-142 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Keiko Nakatani, Akihiro Nakatani & Hiroshi Kitagawa: "Molecular Dynamics Study on Fracture Mechanism of Fe-Amorphous Metal (J Integral near Mode I Crack Tip In Amorphous Metal)"Mesoscopic Dynamics of Fracture (eds. H. Kitagawa, T. Aihara Jr. Y. Kawazoe ). 88-98 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] H. Kitagawa & S. Ogata: "Computer Simulation for Estimation of Mechanical and Thermal Properties of AIN"Key Engineering Materials. 162. 443-448 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Yoji Shibutani, Genrich L. Krasko, Mojmir Sob & Sidney Yip: "Atomic-Level Description of Material Strength of α-Fe"Mat. Sci. Res. Int.. 5・4. 225-233 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Mahadevan Khantha, Mang-Mang Ling & Vaclav Vitek: "Cooperative Dislocation Generation at Finite Temperatures in Loaded Solids -Transition from Brittle to Ductile Regime-"Mat. Sci. Res. Int.. 5・4. 234-240 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Akihiro Nakatani, Hiroshi Kitagawa & Sidney Yip: "Connecting Molecular Dynamics and Dislocation Dynamics to Continuum in Hierarchical Simulations of Microcracks In Solids"Mat. Sci. Res. Int.. 5・4. 241-247 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Matthias Ludwig: "Lattice Trapping on the {011} Cleavage Plane in NiAl"Mat. Sci. Res. Int.. 5・4. 248-252 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Naoto Hirosaki, Shigenobu Ogata & Hiroshi Kitagawa: "Molecular Dynamics Study of the Stress Distribution near a Crack Tip in β-Silicon Nitride"Mat. Sci. Res. Int.. 5・4. 253-257 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Yoji Shibutani: "Mesoscopic Dynamics on Dislocation Patterning In Fatigued Material by Cellular Automata"Mat. Sci. Res. Int.. 5・4. 258-263 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Peter Gumbsch: "Atomistic Modelling of Diffusion-Controlled Interfacial Decohesion"Mat. Sci. Res. Int.. A260. 72-79 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Peter Gumbsch & Huajian Gao: "Dislocations Faster than the Speed of Sound"SCIENCE. 283. 965-968 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] 北村隆行、梅野宜崇、岡部基彦: "Analysis on Structure and Formation Energy of Junction of Grain Boundary and Surface in Aluminum by Molecular Dynamics(分子動力学法によるアルミニウム粒界-表面会合部の構造および形成エネルギーの解析)"材料. 48・9. 991-996 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Takayuki Kitamura & Tadahiro Shibutani: "Effect of Grain Boundary / Interface Network on Cavity Growth under Interacted Migration Induced by Stress and Electric Current"Proc. Of 5th Int. Workshop on Stress Induced Pheno. Metall.. 168-173 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Nagino, Yasuhiro Akahoishi, S. Harada & K. Nakamura: "Influence of Three Dimensional Nanoscale Polycrystalline Grain Boundary on Fracture"Proceedings of the 12th Computational Mechanics Conference. 45-46 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Fukuda, Yasuhiro Akahoishi, S. Harada& I. Maruyama: "Influence of Dislocation on Copper Precipitate under Mode I"Proceedings of the 12th Computational Mechanics Conference. 47-48 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] D. Saraev, P. Kizler & S. Schmauder: "The Influence of Frenkel defects on the deformation and fracture of alpha-Fe single crystals"Modelling and Simulation In Materials Science and Engineering. 7・6. 1013-1023 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] S. Nedelcu, P. Kizler S. Schmauder & N. Moldovan: "Atomic Scale Modelling of Edge Dislocation Movement in the alpha-Fe-Cu system"Modelling and Simulation In Materials Science and Engineering. (印刷中). (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] H. Kitagawa, T. Aihara Jr & Y. Kawazoe: "Mesoscopic Dynamics of Fracture, Computational Materials Design"Springer. 253 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Kitagawa, H., Nakatani, A., Ogata, S., Saitoh, K. & Maegawa, Y.: "Atomic Diffusion near Al Grain Boundary (Molecular Dynamics Analysis Based on Effective-Medium Theory)"JSME Int. J.. Vol. 40 No. 3. 203-210 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Y. shibutani, V. Vitek & J. L. Bassani: "Nonlocal Propperties of inbomogeneous Structures by Linking Approach of Generalized Continuum to Atomistic Model"Int. J. Mech, Sci.. Vol. 40 No. 2-3. 129-137 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Y. shibutani: "Instability Analyses of Stress-induced Phase Transformation"Mesoscopic Dynamics of Fracture. 100-110 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T.Kiitamura, Y. Umeno: "Analysis of Structure and Properties of Σ9 Tilt Grain Boundary in Aluminum by ab initio Molecular Dynamics"Transactions of JSME, Series A. Vol. 64 No. 626. 2463-2470 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Takayuki Kitamura, Kisaragi Yashiro & Ryuichi Ohtani: "Criteria for Nucleation of a Cleavage Crack and a Dislocation in a Nickel Single crystal Based on Molecular Dynamics"Mesoscopic Dynamics of Fracture, (eds. H. Kitagawa, T. Aihara Jr. & Y. kawazoe), Springer. 120-130 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] A. Nakatani, H. Kitagawa & H. Nishiyama: "Estimation of Elastic Interaction Effects between Macrocrack-Microcrack Array by Homogenization Method"Transactions of JSME, Series A. Vol. 64 No. 628. 2889-2894 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Akihiro Nakatani, Hiroshi Kitagawa, & Makoto Sugizaki: "Discrete Dislocation Dynamics Study on Distrbution of Dislocation Dynamics Study on Distribution of Dislocations and Stress Field near Crack Tip"Mesoscopic Dynamics of Fracture, (eds. H. Kitagawa, T. Aihara Jr. & Y. kawazoe), Springer. 143-154 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] H. Kitagaw & S. Ogata: "Computer Simulation for Estimation of Mechanical and Thermal Properties of AIN"Key Engineering Materials. Vol. 162. 443-448 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] S. Ogata & H. Kitagawa: "Ab-initio Tensile Testing Simulation of Al, AIN and Al/AIN Composite"Mesoscopic Dynamics of Fracture, (eds. H. Kitagawa, T. Aihara Jr. & Y. kawazoe), Springer. 176-184 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] D. Uhlmann, P. Klzler, & S. Schmauder: "From Nanoscale top Macroscale : Study of Damage in Steels with Cu Precipitates using Micromechanically Based Stress-Strain Curves"Proc. 19th Risoe International Symposium on Materials Science : Modelling of Structure and Mechanics of Materials from Microscale to Product. 529-534 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] S. Y. Hu, M. Ludwig, P. Kizler & S. Schmauder: "Atomistic simulations of deformation and fracture of a-Fe"Mater.Sci. Eng. Vol. 6. 567-586 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] P. Gumbsch, J. Riedle, A.Hartmaier & H. F. Fischmeister: "Controlling Factors for the Brittle-to-Ductile Transition in Tungsten Single Crystals"SCIENCE. Vol. 282 No. 13. 1293-1295 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Mikulla, J. Stadler, F. Kurl, H-R. Trebin, & P. Gumbsch: "Crack Propagation in Quasicrystals"Phy. Rev. Lett.. Vol. 81 No. 15. 3163-3166 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Ludwig & P. Gumbsch: "Cleavage fracture and crack tip dislocation emission in B2 NiAl : An atomistic study"Acta mater.. Vol. 46 No. 9. 3135-3143 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Sob, L. G. Wang & V. Vitek: "Ab initio calculation of the ideal tensile strensile strength in copper and nickel aluminide"Metallic Materials. Vol. 36. 145 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Sob, L. G. Wang & V. Vitek: "The role of higher-symmetry phases in anisotropy of theoretical tensile strength of metals and intermetallics"Philos. Mag. B. Vol. 78. 653 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] K. Saitoh, H. Kitagawa: "Atomic Migration and Dynamic Rearrangement near Al Grain Boundary"Mesoscopic Dynamics of Fracture, (EDS. h. Kitagaw, T. Aihara Jr. & Y. kawazoe), Springer. Vol.1. 132-142 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Keiko Nakatani, Akihiro Nakatani & Hiroshi kitagawa: "Molecular Dynamics Study on Fracture Mechanism of Fe-Amorphous Metal (J Integral near Mode I Crack Tip in Amorphous Metal)"Mesoscopic Dynamics of Fracture, (eds. H. Kitagawa, T. Aihara Jr. & Y. Kawazoe) Springer. 88-98 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] K. Nakatani, Y. sugiyama, N. Kousaka: "Molecular dynamics simulation on the structural re-arrangement caused by the stress in amorphous metal (Molecular dynamics simulation on structural changing caused by the stress in amorphous metal)"Proc. of the 48th Nat. Cong. Of Theoretical & Applied Mechanics. 175-176 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Yoji Shibutani, Genrich L. Krasko: "Mojmir Sob & Sidney Yip Atomic-Level Description of Material strength of α-Fe"Mat. Sci. Res. Int.. Vol. 5 No.4. 225-233 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Mahadevan Khantha, Mang-Mang Ling & Vaclav Vitek: "Cooperative Dislocation Generation at Finite Temperatures in Loaded Solids -Transition from Brittle to Ductile Regime-"Mat. Sci. Res. Int.. Vol.5 No.4. 234-240 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Akihiro Nakatani, Hiroshi Kitagawa & Sidney Yip: "Connecting Molecular Dynamics and Dislocation Dynamics to Continuum in Hierarchical Simulations of Microcracks in Solids"Mat. Sci. Res. Int.. Vol. 5 No. 4. 241-247 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Matthias Ludwig: "Lattice Trapping on the {011}Cleavage Plane in NiAl"Mat. Sci. Res. Int.. Vol. 5 No. 4. 248-252 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Naoto Hiroski, Shigenobu Ogata & Hiroshi Kitagawa: "Molecular Dynamics Study of the Stress Distribution near a Crack Tip in β-Silicon Nitride"Mat. Sci. Res. Int.. Vol. 5 No. 4. 253-257 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Yoji Shibutani: "Mesoscopic Dynamics on Disloncation Patterning in Fatigued Material by Cellular Automata"Mat. Sci. Res. Int.. Vol. 5 No. 4. 258-263 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Peter Gumbsch: "Atomistic Modelling of Diffusion-Controlled Interfacial Decohesion"Mat. Sci. Res. Int.. Vol. A260. 72-79 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Peter Gumbsch & Huajian Gao: "Dislocations Faster than the Speed of Sound"Science. Vol. 283. 965-968 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Kitamura, Y. Umeno, Okabe: "Analysis on Structure and Formation Energy of Junction of Grain Boundary and Surface on Aluminum by Molecular Dynamics"J.Soc. Mat. Sci., Japan. Vol. 48 No. 9. 991-996 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Takayuki Kitamura & Tadahiro Shibutani: "Effect of Grain Boundary/Interface Network on Cavity Growth under Interacted Migration Induced by Stress and Electric Current"Proc. of 5th Int. Workshop on Stress Induced Pheno. Metall.. 168-173 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Nagino, Yasuhiro Akahoshi, S. Harada & K. Nakamura: "Influence of Three Dimensional Nanoscale Polycrystalline Grain Boundary on Fracture"Proceedings of the 12th Computational Mechanics Conference. 45-46 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Fukuda, Yasuhiro Akahoshi, S. Harada & I. Maruyama: "Influence of Dislocation on Copper Precipitate under Mode I"Proceedings of the 12th Computational Mechanics Conference. 47-48 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] D. Saraev, P.Kizler & S. Schmauder: "The influence of Frenkel defects on the deformation and fracture of alpha-Fe single crystals"Modelling and Simulation in Materials Science and Engineering. Vol. 7 No. 6. 1013-1023 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] S. Nedelcu, P. Kizler, S. Schmauder & N. Moldovan: "Atomic Scale Modelling of Edge Dislocation Movement in the alpha-Fe-Cu system"Modelling and Simulation in Materials Science and Engineering. (in ptint). (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Hiroshi Kitagawa, T. Aihara Jr. & Y. Kawazoe: "Mesoscopic Dynamics of Fracture, Computational Materials Design"Springer. 253 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Yoji Shibutani,Genrich L.Krasko,Mojimir Sob & Sidney Yip: "Atomic-Level Description of Material Strength of α-Fe"Mat.Sci.Res.Int.. 5・4. 225-233 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Mahadevan Khantha,Mang-Mang Ling & Vaclav Vitek: "Cooperative Dislocation Generation at Finite Temperatures in Loaded Solids-Transition from Brittle to Ductile Regime-"Mat.Sci.Res.Int.. 5・4. 234-240 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Akihiro Nakatani,Hiroshi Kitagawa & Sidney Yip: "Connectingt Molecular Dynamics and Dislocation Dynamics to Continuum in Hierarchical Simulations of Microcracks in Solids"Mat.Sci.Res.Int.. 5・4. 241-247 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Matthias Ludwig: "Lattice Trapping on the {011} Cleavage Plane in NiAl"Mat.Sci.Res.Int.. 5・4. 248-252 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Naoto Hirosaki,Shigenobu Ogata & Hiroshi Kitagawa: "Molecular Dynamics Study of the Stress Distribution near a Crack Tip in β-Silicon Nitride"Mat.Sci.Res.Int.. 5・4. 253-257 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Yoji Shibutani: "Mesoscopic Dynamics on Dislocation Patterning in Fatigued Material by Cellular Automata"Mat.Sci.Res.Int.. 5・4. 258-263 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Peter Gumbsch: "Atomistic Modelling of Diffusion-Controlled Interfacial Decohesion"Mat.Sci.Res.Eng.. A260. 72-79 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Peter Gumbsch & Huajian Gao: "Dislocations Faster than the Speed of Sound"Science. 283. 965-968 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] 北村隆行、梅野宜崇、岡部基彦: "Analysis on Structure and Formation Energy of Junction of Grain Boundary and Surface in Aluminum by Molecular Dynamics (分子動力学法によるアルミニウム粒界ー表面会合部の構造および形成エネルギーの解析)"材料. 48・9. 991-996 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Takayuki Kitamura & Tadahiro Shibutani: "Effect of Grain Boundary/Interface Network on Cavity Growth under Interacted Migration Induced by Stress and Electric Current"Proc.Of 5th Int. Workshop on Stress Induced Pheno. Metall.. 168-173 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] T.Nagino,Yasuhiro Akahoshi, S.Harada & K.Nakamura: "Influence of Three Dimensional Nanoscale Polycrystalline Grain Boundary on Fracture"Proceedings of the 12th Computational Mechanics Conference. 45-46 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] T.Fukada,Yasuhiro Akahoshi,S.Harada & I.Maruyama: "Influence of Dislocation on Copper Precipitate under Mode I"Proceedings of the 12th Computational Mechanics Conference. 47-48 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] D.Sarave,P.Kizler & S. Schmauder: "The influence of Frenkel defects on the deformation and fracture of alpha-Fe single crystals"Modelling and Simulation in Materials Science and Engineering. 7・6. 1013-1023 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] S.Nedelcu,P.Kizler,S.Schmauder & N.Moldovan: "Atomic Scale Modelling of Edge Dislocation Movement in the alpha-Fe-Cu system"Modelling and Simulation in Materials Science and Engineering accepted. (2000)

    • Related Report
      1999 Annual Research Report
  • [Publications] Kitagawa, H., Nakatani, A., Ogata, S., Saitoh, K. & Maegawa, Y.: "Atomic Diffusion near Al Grain Boundary(Molecular Dynamics AnalysisBased on Effective-Medium Theory)" JSME Int.J.40・3. 203-210 (1997)

    • Related Report
      1998 Annual Research Report
  • [Publications] Y.shibutani, V.Vitek & J.L.Bassani: "Nonlocal Properties of inhomogeneous Structures by Linking Approach of Generalized Continuum to Atomistic Model" Int.J.Mech.Sci.40・23. 129-137 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] Y.Shibutani: "Instability Analyses of Stress-induced Phase Transformation" Mesoscopic Dynamics of Fracture. 100-110 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 北村隆行,梅野宜崇: "第一原理分子動力学法によるアルミニウムS9傾角粒界の構造および特性解析" 日本機械学会論文集,A編. 64・626. 2463-2470 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] Takayuki Kitamura, Kisaragi Yashiro & Ryuichi Ohtani: "Criteria for Nucleation of a Cleavage Crack and a Dislocation in a Nickel Single Crystal Based on Molecular Dynamics" Mesoscopic Dynamics of Fracture, Advances in Materials Research. 120-130 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 中西彰宏,北川 浩,西山英俊: "均質化法を用いたマクロき裂とミクロき裂群間の弾性相互干渉効果の検討" 日本機械学会論文集(A編). 64・628. 2889-2894 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] Akihiro Nakatani, Hiroshi Kitagawa, & Makoto Sugizaki: "Discrete Dislocation Dynamics Study on Distribution of Dislocations and Stress Field near Crack Tip" Mesoscopic Dynamics of Fracture, Computational Materials Design. 148-154 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] H.Kitagawa & S.Ogata: "Computer Simulation for Estimation of Mechanical and Thermal Properties of AIN" Key Engineering Materials. 162. 443-448 (1999)

    • Related Report
      1998 Annual Research Report
  • [Publications] S.Ogata & H.Kitagawa: "Ab-initio Tensile Testing Simulation of Al, AIN and Al/AIN Composite" Mesoscopic Dynamics of Fracture, Advances in Materials Research. 176-184 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] D.Uhlmann, P.Klzler, & S.Schmauder: "From Nanoscale top Macroscale : Study of Damage in Steels with Cu Precipitates using Micromechanically Based Stress-Strain Curves" Proc.19th Risoe International Symposium on Materials Science : Modelling of Structure and Mechanics of Materials from Microscale to Product. 529-534 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] S.Y.Hu, M.Ludwig, p.Kizler & S.Schmauder: "Atomistic simulations of deformation and fracture of a-Fe" Mater.Sci.Eng.6. 567-586 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] P.Gumbsch, J.Riedle, A.Hartmaier & H.F.Fischmeister: "Controlling Factors for the Brittle-to-Ductile Transition in Tungsten Single Crystals" SCIENCE. 282・13. 1293-1295 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] R.Mikulla, J.Stadler, F.Kuri, H-R.Trebin, & P.Gumbsch: "Crack Propagation in Quasicrystals" PHYSICAL REVIEW LETTERS. 81・15. 3163-3166 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] M.Ludwig & P.Gumbsch: "Cleavage fracture and crack tip dislocation emission in B2 NiAl: An atomistic study." Acta mater.46・9. 3135-3143 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] M.Sob, L.G.Wang & V.Vitek: "Ab initio calculation of the ideal tensile strength in copper and nickel aluminide" Metallic Materials. 36. 145 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] M.Sob, L.G.Wang & V.Vitek: "The role of higher-symmetry phases in anisotropy of theoretical tensile strength of metals and intermetallics" Philos.Mag.B. 78. 653 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] C.S.Jayanthi, M.Tang, S.Y.Wu, J.A.Cocks & S.Yip: "Insights on Deformation Mechanisms from Atomistic Modeling of Structural Instability in Solids" Computer-Aided Design of High Temperature Materials. (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 長谷部忠司,今井田豊,中元均: "FCC金属の衝撃圧縮挙動に及ぼすねじり予ひずみの影響" 材料. 47・1. 26-32 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] T.Hasebe, S.Kumai & Y.Imaida: "Impact Compression Behavior of FCC Metals with Pre-Torsion Strain" J.Maters.Process.Technol.85. 184-187 (1999)

    • Related Report
      1998 Annual Research Report
  • [Publications] 齋藤・稲葉・駒谷: "界面近傍の原子移動と原子応力の表示方法" 日本機械学会第75期通常総会講演会講演論文集. 98・1. 219-220 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] Saitoh, K.& kitagawa, H.: "Atomic Migration and Dynamic Rearrangement near Al Grain Boundary" Mesoscopic Dynamics of Fracture, Advances in Materials Research. 1. 132-142 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 中谷敬子,杉山吉彦: "非晶質金属における応力誘起構造変化の分子動力学シミュレーション(Molecular dynamics simulation on structural changing caused by tyhe stress in amorphous metal)" 日本機械学会第48回理論応用力学講演会講演論文集. 175-176 (1999)

    • Related Report
      1998 Annual Research Report
  • [Publications] Keiko Nakatani, Akihiro Nakatani & Hiroshi kitagawa: "Molecular Dynamics Study on Fracture Mechanism of Fe-Amorphous Metal(J Integral near Mode I Crack Tip in Amorphous Metal)" Mesoscopic Dynamics of Fracture, Advances in Materials Research. 88-98 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] Hiroshi KITAGAWA: "Mesoscopic Dynamics of Fracture, Computational Materials Design" H.Kitagawa, T.Aihara Jr & Y.Kawazoe, 2-11 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] Y.Shibutani, V.Vitek and J.L.Bassani: "Nonlocal Properties of Inhomogeneous Structures by Linking Approach of Genemralized Continuum to Atomistic Model" Int.J.Mech.Sci.Vol.40. 129-137 (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] Y.Akahoshi, S.Schmauder and M.Ludwig: "Molecular Dynamics Simulation of Impact Test" Proceedings of the 23rd MPA-Seminar. Vol.1. 22.1-22.11 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] H.Kitagawa, et al.: "The 1st Report of Intenational Program on Hierarchical Estimations of Materials Strength by MD Simulation" 366 (1997)

    • Related Report
      1997 Annual Research Report

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Published: 1997-04-01   Modified: 2016-04-21  

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