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过冷合金的热物理性质：分子模拟方法综述

Thermophysical properties of undercooled alloys: an overview of the molecular simulation approaches.

作者信息

Lv Yong J, Chen Min

机构信息

Key Laboratory of Cluster Science, Ministry of Education of China, Department of Physics, Beijing Institute of Technology, Beijing 100081, China; E-Mail:

出版信息

Int J Mol Sci. 2011 Jan 10;12(1):278-316. doi: 10.3390/ijms12010278.

DOI:10.3390/ijms12010278
PMID:21339987
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3039953/
Abstract

We review the studies on the thermophysical properties of undercooled metals and alloys by molecular simulations in recent years. The simulation methods of melting temperature, enthalpy, specific heat, surface tension, diffusion coefficient and viscosity are introduced and the simulated results are summarized. By comparing the experimental results and various theoretical models, the temperature and the composition dependences of the thermophysical properties in undercooled regime are discussed.

摘要

我们回顾了近年来通过分子模拟对过冷金属及合金热物理性质的研究。介绍了熔点、焓、比热容、表面张力、扩散系数及黏度的模拟方法，并总结了模拟结果。通过比较实验结果与各种理论模型，讨论了过冷状态下热物理性质随温度及成分的变化关系。

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