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使用分子动力学方法,建立了对应于<100>{010}和<100>{011}刃型位错上的两种扭折模型,并计算了两种类型扭折的形成能、迁移能及宽度.计算结果表明,扭折结构依赖于位错类型及位错芯区原子的格位能.分析这些计算结果发现,<100>{010}刃型位错上的扭折既难以形成,又难以迁移;<100>{011}刃型位错的运动主要是通过扭折的成核,而不是扭折的迁移.
Using molecular dynamics method, two kink models corresponding to the edge dislocations of <100> {010} and <100> {011} are established and the formation energy, Width.The calculated results show that the kink structure depends on the type of dislocation and the lattice energy of dislocation core atoms.According to these calculations, it is found that the kink on the <100> {010} edge dislocation is difficult to form and Difficult to migrate; <100> The {011} edge dislocation motion mainly through kinking instead of kinking.