Ab initio calculations of the generalized stacking fault energy in aluminium alloys
Ab initio calculations of the generalized stacking fault energy in aluminium alloys
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DOI：
10.1016/j.scriptamat.2011.01.034
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发表时间：
2011-05
影响因子：
6
通讯作者：
M. Muzyk;Z. Pakieła;K. Kurzydłowski
中科院分区：
文献类型：
--
作者：
M. Muzyk;Z. Pakieła;K. Kurzydłowski
本文用密度泛函理论计算了铝及其某些合金的广义层错能。结果表明，部分位错发射引起的变形倾向因合金元素而异。铝的孪晶性也因变形平面中合金元素的存在而改变。结果表明，Al-Mg和Al-Ga合金最易发生部分位错和孪晶变形。
The generalized stacking fault energy for aluminium and some of its alloys have been calculated using density functional theory. It is shown that the deformation tendency caused by emission of partial dislocations varies with alloying element. The twinnability of aluminium is also modified by the presence of alloying element in the deformation plane. The results suggest that Al–Mg and Al–Ga alloys are the most susceptible for the deformation by partial dislocations and twining.