Basal-plane stacking-fault energies of Mg: A first-principles study of Li- and Al-alloying effects
Basal-plane stacking-fault energies of Mg: A first-principles study of Li- and Al-alloying effects
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镁的基面堆垛层错能：锂和铝合金效应的第一性原理研究
DOI：
10.1016/j.scriptamat.2010.11.034
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发表时间：
2011-04-01
影响因子：
6
通讯作者：
Zhu, Y. T.
中科院分区：
文献类型：
--
作者：
Han, J.;Su, X. M.;Zhu, Y. T.
用与六方密排Mg基面相关的广义叠错能（gsfe）分析了Li和Al的合金化效应。采用第一性原理技术结合爬升图像微推弹性带法获得了GSFE剖面。结果表明，Li合金化有利于位错介导的过程，而Al合金化有利于基底面的顺序断裂。这种差异是由于两种合金元素在Mg中倾向于形成不同类型的键临界点。(C) 2010材料学报Elsevier Ltd.出版。版权所有。
Alloying effects due to Li and Al were examined in terms of generalized stacking-fault energies (GSFEs) associated with basal planes of hexagonal close-packed Mg. The GSFE profiles were obtained using a first-principles technique in combination with climbing-image nudged elastic band methods. Our results show that Li alloying can facilitate dislocation-mediated processes while sequential faulting across basal planes becomes favorable with Al alloying. Such a difference is attributed to the fact that the two alloying elements tend to form different types of bond critical points in Mg. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.