Simulation of the (001) plane crack in α-iron employing a new boundary scheme
Simulation of the (001) plane crack in α-iron employing a new boundary scheme
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采用新边界方案模拟 α 铁中的 (001) 面裂纹
DOI：
10.1080/01418618208236930
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发表时间：
1982
影响因子：
1.6
通讯作者：
M. Dokainish
中科院分区：
文献类型：
--
作者：
M. Mullins;M. Dokainish
摘要本文提出了一种新的基于有限元法的固体机制原子水平计算机模拟边界格式，该格式与以往的边界格式相比具有许多优点。该方法已应用于裂纹线方向为[010]和[110]的ac-Fe（001）平面二维裂纹的模拟。在这两个方向上观察到明显的差异。在这两种情况下，给出了点阵捕获极限和裂纹尖端位移场的大小和形状的一些信息。在低温下没有位错产生，但将模型加热到400k明显导致了位错从裂纹尖端产生。
Abstract A new boundary scheme for atomic-level computer simulations in solid mechaisms has been developed which is based on the finite-element method and which provides several advantages over previous boundary schemes. This has been applied to the simulation of (001) plane two-dimensional cracks in ac-Fe having crack line directions of [010] and [110]. Significant differences between the cracks in these two directions were observed. Lattice-trapping limits and some information on the magnitude and shape of the crack-tip displacement field is provided for both cases. No dislocations were emitted at low temperatures, but warming the model to 400 K apparently resulted in the emission of a dislocation from the crack-tip.