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Surface Segregation as a Factor of the Stability and Instability of Binary Metal Nanowire
Bulletin of the Russian Academy of Sciences: Physics Pub Date : 2020-10-09 , DOI: 10.3103/s1062873820090361
S. A. Vasilyev , E. V. Dyakova , A. Yu. Kartoshkin , M. V. Samsonov , V. M. Samsonov

Abstract

Surface segregation in Ni–Cu binary nanowire is studied using an integrated approach that combines atomistic (molecular dynamics) and thermodynamic simulation. It is shown that a tendency toward the spontaneous surface segregation of Cu atoms is a factor that stabilizes bimetallic structure Ni (core)/Cu (shell) and destabilizes structure Cu (core)/Ni (shell).



中文翻译:

表面偏析是二元金属纳米线稳定性和不稳定性的一个因素

摘要

使用结合了原子(分子动力学)和热力学模拟的集成方法研究了Ni-Cu二元纳米线中的表面偏析。已经表明,Cu原子的自发表面偏析的趋势是稳定双金属结构Ni(核)/ Cu(壳)并且使结构Cu(核)/ Ni(壳)不稳定的因素。

更新日期:2020-10-11
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