Combined the modified analytical embedded atom method (MAEAM) with molecular dynamics(MD) simulation method,both the relaxed structure and strain energy of an a edge dislocation in metal Ta have been simulated on atomic scales.

• 采用改进分析型嵌入原子法(Modified Analytical Embedded Atom Method；MAEAM)；结合分子动力学(Molecular Dynamics；MD)模拟方法；从原子尺度对金属Ta中的a[100]刃型位错弛豫结构和能量进行了计算机模拟.