LOCAL LATTICE INSTABILITY ANALYSIS ON NANO-POLYCRYSTALLINE AND AMORPHOUS METALS:ROLE OF NSTABLE ATOMS UNDER TENSION AND COMPRESSION

摘要：

Beyond the common neighbor analysis (CNA) for local configuration,the local lattice instability analysis (LLIA) can definitely find out the defect in defects in molecular dynamics simulations.Based on the positive definiteness of atomic elastic stiffness coefficients,LLIA distinguishes the unstable atoms as defectsfrom the disordered structure of amorphous and grain boundaries.In the present study,the physical meanings of the unstable atoms are shown in the various simulations of amorphous and nano-polycrystalline nickels.

关键词： Local Lattice Instability Analysis Molecular Dynamics Elastic Stiffness Coefficients Amorphous Nanocrystals

作者: K.Yashiro M.Nishimura M.Higuchi Tomita

作者单位: Graduate School of Engineering,KobeUniversity,1-1,Rokkodai,Nada Kobe 657-8501,Japan Graduate School of Engineering,Kobe University,1-1,Rokkodai,Nada Kobe 657-8501,Japan

会议类型: 国际会议

会议名称: 第二届国际非均质材料力学会议(The Second International Conference on Heterogeneous Material Mechanics)

会议地点: 安徽黄山

会议语种:英文

页码: 308-311

在线出版日期: 2008-06-03（万方平台首次上网日期，不代表论文的发表时间）