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首页> 外文期刊>International Journal of Solids and Structures >Nonlocal instability analysis of FCC bulk and (1 0 0) surfaces under uniaxial stretching
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Nonlocal instability analysis of FCC bulk and (1 0 0) surfaces under uniaxial stretching

机译：单轴拉伸下FCC块和（1 0 0）表面的非局部不稳定性分析

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摘要

The objective of this paper is to examine the instability characteristics of both a bulk FCC crystal and a (1 0 0) surface of an FCC crystal under uniaxial stretching along a 〈1 0 0〉 direction using an atomistic-based nonlocal instability criterion. By comparison to benchmark atomistic simulations, we demonstrate that for both the FCC bulk and (1 0 0) surface, about 5000-10,000 atoms are required in order to obtain an accurate converged value for the instability strain and a converged instability mode. The instability modes are fundamentally different at the surface as compared to the bulk, but in both cases a strong dependence of the instability mode on the number of atoms that are allowed to participate in the instability process is observed. In addition, the nonlocal instability criterion enables us to determine the total number of atoms, and thus the total volume occupied by these atoms, that participate in the defect nucleation process for both cases. We find that this defect participation volume converges as the number of atoms increases for both the bulk and surface, and that the defect participation volume of the surface is smaller than that of the bulk. Overall, the present results demonstrate both the necessity and utility of nonlocal instability criteria in predicting instability and subsequent failure of both bulk and surface-dominated nanomaterials.
机译：本文的目的是使用基于原子的非局​​部不稳定性判据，研究大块FCC晶体和FCC晶体的（1 0 0）表面在沿<1 0 0>方向的单轴拉伸下的不稳定性。通过与基准原子模拟进行比较，我们证明，对于FCC块和（1 0 0）表面，都需要约5000-10,000个原子，才能获得失稳应变和收敛失稳模式的准确收敛值。与本体相比，表面上的不稳定性模式根本不同，但是在两种情况下，都观察到不稳定性模式强烈依赖于允许参与不稳定性过程的原子数。此外，非局部不稳定性准则使我们能够确定两种情况下参与缺陷成核过程的原子总数，从而确定这些原子占据的总体积。我们发现，随着本体和表面原子数的增加，缺陷的参与体积收敛，并且表面的缺陷参与体积小于本体的缺陷参与体积。总的来说，本结果证明了非局部不稳定性标准在预测块状和表面主导的纳米材料的不稳定性和随后的失效中的必要性和实用性。

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