Atomistic simulation of stacking fault formation in bcc iron
Atomistic simulation of stacking fault formation in bcc iron
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DOI：
10.1088/0965-0393/7/6/304
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发表时间：
1999-11
影响因子：
1.8
通讯作者：
A. Machová;G. Beltz;Margherita Chang
中科院分区：
文献类型：
--
作者：
A. Machová;G. Beltz;Margherita Chang
本文对铁中裂纹在准静态加载下的扩展进行了大尺度原子模拟。我们发现，长裂纹显示出脆性的扩展特性，而较小的裂纹的生长是伴随着发射的部分位错从裂纹尖端和随后的转换的堆垛层错背后的位错多层孪晶。在裂纹尖端的竞争剪切过程的特点是在裂纹尖端区域发出的最多四个相邻的原子平面的相对滑动。结果是一致的全球性的能量平衡来自完美的样品，并与实验观察，孪生和断裂合作的过程中，在足够大的准静态载荷在低温下。
We present large scale atomistic simulations of crack growth in iron under quasistatic loading in mode I. We show that long cracks display a brittle character of extension, while the growth of smaller cracks is accompanied by emission of partial dislocations from the crack tip and subsequent transformation of the stacking faults behind the dislocations to multilayer twins. The competing shear processes at a crack tip are characterized in terms of the relative sliding of up to four adjacent atomic planes emanating from the crack tip region. The results are in agreement with a global energy balance derived from perfect samples, and with experimental observations that twinning and fracture are cooperating processes under sufficiently large quasistatic loading at low temperatures.