TiAl合金晶界的计算模拟及原子像对照

摘要

Some aspects of our most recent study on grain boundaries in TiAl are d tensile loading. Using molecular dynamics and a nanocrystal model, stress induced%对γTiAl{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[011]不等同轴对界面拉伸性能的影响,对{115}〈110〉/{111}〈011〉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γα2相变的历程.