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.
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- 采用改進(jìn)分析型嵌入原子法(Modified Analytical Embedded Atom Method;MAEAM);結合分子動(dòng)力學(xué)(Molecular Dynamics;MD)模擬方法;從原子尺度對金屬Ta中的a[100]刃型位錯弛豫結構和能量進(jìn)行了計算機模擬.