SURFACE MELTING SIMULATION OF AU(110)

被引：36

作者：

ERCOLESSI, F ^{[1
]}

IARLORI, S ^{[1
]}

TOMAGNINI, O ^{[1
]}

TOSATTI, E ^{[1
]}

CHEN, XJ ^{[1
]}

机构：

[1] IBM EUROPEAN CTR SCI & ENGN COMP,I-00147 ROME,ITALY

来源：

SURFACE SCIENCE | 1991年 / 251卷

关键词：

D O I：

10.1016/0039-6028(91)91071-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We have studied the high-temperature behaviour of Au(110) by molecular dynamics simulation. Liquid-like surface disorder (following deconstruction of the (1 x 2) missing-row structure) appears well below bulk melting near 0.75T(M). The thickness of the liquid-like layer grows linearly with ln(1 - T/T(M)), as expected for a system governed by short-range forces. To complement the simulation results, we evaluate the contribution of long-range dispersion forces and predict a crossover from a logarithmic to a power-law growth located about 0.5 K below T(M). Results for the z-profiles of density and crystalline order as a function of temperature are also presented.

引用

页码：645 / 649

页数：5

共 34 条

[1] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].