二元金属合金脆化势的从头算计算汇编。
A compilation of ab-initio calculations of embrittling potencies in binary metallic alloys.
作者信息
Gibson Michael A, Schuh Christopher A
机构信息
Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, USA.
出版信息
Data Brief. 2015 Dec 1;6:143-8. doi: 10.1016/j.dib.2015.11.024. eCollection 2016 Mar.
Segregation-induced changes in interfacial cohesion often control the mechanical properties of metals. The change in the work of separation of an interface upon segregation of a solute to the interface, termed the embrittling potency, is an atomic-level quantity used to predict and understand embrittlement phenomena. We present a compilation of calculations of embrittling potencies, along with references for these calculations. A discussion of this data is made in a separate article (Gibson and Schuh, 2016 [1]).
偏析引起的界面内聚能变化通常控制着金属的力学性能。溶质偏析到界面时界面分离功的变化，称为脆化势，是一个用于预测和理解脆化现象的原子级量。我们给出了脆化势计算的汇总以及这些计算的参考文献。在另一篇文章（Gibson和Schuh，2016 [1]）中对这些数据进行了讨论。
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