作者
Yanqing Su, Milan Ardeljan, Marko Knezevic, Manish Jain, Siddhartha Pathak, Irene J Beyerlein
发表日期
2020/3/1
期刊
Computational Materials Science
卷号
174
页码范围
109501
出版商
Elsevier
简介
At ambient temperature, pressure, and sufficiently fine layer thicknesses, pure body-centered cubic (bcc) Mg can exist as a pseudo-morphic phase when coherently bonded with a substantially stiffer bcc metal, such as Nb. Compared to the hexagonal close-packed Mg/bcc Nb nanocomposite that exists in the larger layer thicknesses, the bcc Mg/bcc Nb nanocomposite was recently shown to exhibit significantly higher yield stresses and strains to failure. However, because of the morphological, spatial, and crystallographic constraints imposed by nanolayered architecture, the elastic constants of the individual bcc Mg phase cannot be directly measured experimentally. Lack of this fundamental property stands in the way of theoretical and computational modeling of the mechanical properties of the pseudo-morphic bcc phase of Mg. In this work, we employ density functional theory calculations and a strain-energy-based …
引用总数
2020202120222023202436564
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