Surface premelting of Cu(110).
Surface premelting of Cu(110).
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DOI：
10.1103/physrevb.44.3226
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发表时间：
1991-08
期刊：
影响因子：
--
通讯作者：
Barnett;Landman
中科院分区：
文献类型：
--
作者：
Barnett;Landman
采用分子动力学方法研究了Cu（110）表面的无序化和熔化，其中嵌入原子理论用于描述能量学和原子间相互作用。此外，本体熔化温度和共存时的晶体-熔体界面的性质进行了研究。Cu（110）的表面区域在约900 K的温度下开始无序化，通过空位的产生伴随着吸附层的形成。在1200 K的温度下（即，约80 K以下的散装熔化），准液体区域的发展，表现出liquidlike energetic，结构，和运输性能，观察。基于Landau-Ginzburg（平均场）表面熔化理论对实验结果的分析表明，准液体层的厚度随温度的升高而增加，相关长度为4.3 A.
Disordering and melting of the surface of Cu(110) are investigated using molecular-dynamics simulations, in which the embedded-atom theory is used to describe the energetics and interatomic interactions. In addition, the bulk melting temperature and the properties of the crystal-to-melt interface at coexistence are studied. The surface region of the Cu(110) starts to disorder, via the generation of vacancies accompanied by the formation of an adlayer, at a temperature of about 900 K. At a temperature of {congruent}1200 K (i.e., about 80 K below bulk melting), the development of a quasiliquid region, exhibiting liquidlike energetic, structural, and transport properties, is observed. Analysis of the results, motivated by Landau-Ginzburg (mean-field) theories of surface melting, shows that the thickness of the quasiliquid layer increases logarithmically as the temperature approaches the melting point, with a correlation length of 4.3 A.