物理学报2009，Vol.58Issue(z1)：246-253,8.
TiAl/Ti3Al体系剪切变形的分子动力学研究
Molecular dynamics study of the shear deformation in TiAl/Ti3Al system
摘要
Abstract
The dynamical shear deformation induced hexagonal close-packed (HCP)face-centred cubic (FCC) processes in TiAl/Ti3Al system are investigated by the molecular dynamics method. The details of the dislocation initiation, the microstructure evolution and the force field effect are presented and discussed. The analyses of the potential variation and the structural snapshots show that the shear deformation is related to the "stick-slip" behaviour. The interface can transit the energy and counterpoise the deformation between the hetero-phases. The HCP-Ti3Al (FCC-TiAl) shows obvious (little) covariant deformation stage before the initiation of the fault transition. For HCP-Ti3Al, the final structure is the continued FCC stacking in a region with the large force field, and the FCC and HCP plates alternatively occur near the interface. For FCC-TiAl, twin and SISF are the main remnants, and the meta-stable HCP phase may occur with the increment of the force field.关键词
TiAl/Ti3Al/分子动力学模拟/剪切变形/层错结构Key words
TiAl/Ti3Al, molecular dynamics simulation, shear deformation, fault structure分类
数理科学引用本文复制引用
刘永利,赵星,张宗宁,张林,王绍青,叶恒强..TiAl/Ti3Al体系剪切变形的分子动力学研究[J].物理学报,2009,58(z1):246-253,8.基金项目
国家自然科学基金(批准号:50671109)和国家重点基础研究发展计划(批准号:2006CB605103,2006CB600905)资助的课题.Project supported by the National Natural Science Foundation of China (Grant No. 50671109) and the State Key Development Program for Basic Research of China (Grant Nos. 2006CB605103, 2006CB600905). （批准号:50671109）
