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Molecular dynamic simulation of edge dislocation-void interaction in pure Al and Al-Mg alloy

机译:纯Al和Al-Mg合金边缘位错-空隙相互作用的分子动力学模拟

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摘要

In this study, the interaction of edge dislocations with nano-scale voids was investigated for the face centered cubic (FCC) structure of pure aluminum and Al-Mg alloy. The effect of Mg solute atoms on the Peierls stress (required for dislocation motion) at different temperatures, and the critical resolved shear stress (CRSS) for dislocation-void interaction was investigated in this study. In addition, the influences of void diameter (1, 2 and 3 nm), inter-void distance (7.5 and 15 nm) in a void array, and of temperature (300 K) on resolved shear stress were determined. It was found that substitutional Mg atoms was highly effective on improving the mechanical behavior of the Al lattice and on the type of dislocation-void interaction (simultaneous or separate passing of partial dislocations). In addition, it was obtained that no void-induced climbing occurred during the interactions for these systems. Higher void diameter and in particular lower inter-void spacing led to a considerable increase in the CRSS, while the latter changed the type of dislocation-void interaction. Finally, it was shown that Peierls stress was decreased for pure aluminum from 0 K to 10 K, while different results were obtained for Al-Mg alloy that were discussed in detail.
机译:在这项研究中,研究了纯铝和铝镁合金的面心立方(FCC)结构的边缘位错与纳米级空隙的相互作用。研究了Mg溶质原子对不同温度下的Peierls应力(位错运动所需)的影响,以及位错-空隙相互作用的临界解析剪切应力(CRSS)。另外,确定了空隙直径(1、2和3 nm),空隙阵列中空隙间距(7.5和15 nm)以及温度(300 K)对解析剪切应力的影响。发现取代的Mg原子在改善Al晶格的机械性能和位错-空相互作用的类型(部分位错的同时或分开通过)方面非常有效。另外,获得的是,在这些系统的相互作用期间,没有空洞引起的爬升发生。较高的空隙直径,尤其是较低的空隙间距导致CRSS显着增加,而后者改变了位错空隙相互作用的类型。最后,结果表明,纯铝的Peierls应力从0 K降低到10 K,而Al-Mg合金获得了不同的结果,对此进行了详细讨论。

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