TiAl合金晶界的计算模拟及原子像对照(英文)  

Computer simulations on grain boundary in TiAl and its comparison with experimental observations

作　　者：周龙光[1] 贺连龙[1] 叶恒强[1] 

机构地区：[1]中国科学院金属研究所沈阳国家材料科学重点实验室,辽宁沈阳110016

出　　处：《电子显微学报》2002年第3期240-246,共7页Journal of Chinese Electron Microscopy Society

基　　金：NationalNaturalScienceFoundationofChina(No .5 9895 1 5 6 )

摘　　要：对γ TiAl{ 111}〈110〉孪晶的三种界面结构进行了计算模拟并与原子像作了比较。为检验 [110 ]与 [0 11]不等同轴对界面拉伸性能的影响 ,对 { 115 }〈110〉 { 111}〈0 11〉晶界计算模拟了在拉伸加载下的动力变形。利用纳米晶模型和分子动力学方法研究了该合金中应力诱导γ α2Some aspects of our most recent study on grain boundaries in TiAl are reviewed. The structure of three typical grain boundaries in γ TiAl {111}〈110〉 twin system has been simulated and compared to the observations at atomic resolution. In order to examine the effect of non equivalent tilted axes of 〈110]and 〈011] on mechanical properties of grain boundary, one of grain boundaries therein, {115}〈110〉/{111}〈110〉 grain boundary was dynamically deformed under applied tensile loading. Using molecular dynamics and a nanocrystal model, stress induced γ  α 2 phase transformation in TiAl was theoretically studied.

关 键 词：晶界 原子像 TIAL 孪晶 模拟计算 钛铝合金 界面结构 动力变形 分子动力学 

分 类 号：TG111[金属学及工艺—物理冶金]