Ordering effects in disordered systems: the Au-Si system

被引:17
作者
Jakse, N. [1 ]
Nguyen, T. L. T. [1 ]
Pasturel, A. [1 ,2 ]
机构
[1] PHELMA Grenoble INP, Lab Sci & Ingn Mat & Proc, UMR CNRS INPG UJF 5266, F-38402 St Martin Dheres, France
[2] UMR CNRS 5493, Lab Phys & Modelisat Milieux Condenses, F-38042 Grenoble 09, France
关键词
STRONG CHEMICAL INTERACTIONS; EMBEDDED-ATOM METHOD; MOLECULAR-DYNAMICS; LIQUID ALLOYS; SIMPLE-MODEL; SILICON; GOLD; THERMODYNAMICS; SIMULATIONS; PACKING;
D O I
10.1088/0953-8984/23/40/404205
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We have characterized the short-range order in the liquid and undercooled states of Au-Si alloy at the eutectic composition using molecular dynamics simulations. The interactions are described via a modified embedded-atom model refined to take into account the liquid properties. For the eutectic liquid, the local structure is characterized by a strong Au-Si affinity, namely a well-pronounced chemical short-range order which leads to the slowing down of the formation of icosahedral local motifs in the undercooled regime. Moreover we discuss the influence of this peculiar local structure on the dynamic and thermodynamic properties of the liquid phase and compare our results with available experimental data.
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页数:8
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