EMBEDDED-ATOM MODEL OF GLASS-FORMING SI-METAL ALLOYS

被引:24
作者
BALLONE, P [1 ]
RUBINI, S [1 ]
机构
[1] UNIV PAVIA, DIPARTIMENTO FIS ALESSANDRO VOLTA, I-27100 PAVIA, ITALY
来源
PHYSICAL REVIEW B | 1995年 / 51卷 / 21期
关键词
D O I
10.1103/PhysRevB.51.14962
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We develop and test an embedded-atom model for late transition-metal (Ni, Pd, Pt, and Au)-silicon alloys with Si concentration up to 20 at. %. We exploit the model to simulate by molecular dynamics the quench from high temperature of Ni80Si20, Pd80Si20, Pt80Si20, and Au80Si20 that results in the formation of an amorphous system in the case of the Pd-Si, Pt-Si, and Au-Si alloys. We analyze in detail the glass transition and the variation across it of the viscosity and diffusion coefficient. Moreover, we study the static structure and the elastic and vibrational properties of the low-temperature amorphous alloys. The results show that, despite some quantitative disagreement, the embedded-atom potential reproduces all the major features and trends observed in the experiments, and provides a reliable model for the simulation of these systems. © 1995 The American Physical Society.
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页码:14962 / 14975
页数:14
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