First-principles calculations of structural stability and elastic properties of REB12 strengthening phases in boriding Mg–RE alloys
作者： Jianxin Guo , Hui Fu , Guodong Zou , Baozhong Liu , Qiuming Peng
DOI: 10.1016/J.JALLCOM.2015.01.139
关键词: Covalent bond 、 Cluster (physics) 、 Metal 、 Thermodynamics 、 Metallurgy 、 Structural stability 、 Materials science 、 Precipitation (chemistry) 、 Boriding
摘要: Abstract The effect of rare-earth elements (REs) on formation and elastic properties strengthening precipitates in boriding Mg–RE alloys was determined by first-principles calculations. preferential a B 12 -cluster during process results the appearance only REB phases. compounds possess high hardness, which is mainly associated with strong covalent bondings -cluster. RE types hardly affect hardness compounds, partially elucidated owing to low fraction RE–B metallic bondings.
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