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

Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches

1
Key Laboratory of Cluster Science, Ministry of Education of China, Department of Physics, Beijing Institute of Technology, Beijing 100081, China
2
Department of Engineering Mechanics, Tsinghua University, Beijing, 100084, China
*
Author to whom correspondence should be addressed.
Received: 5 November 2010 / Revised: 29 November 2010 / Accepted: 15 December 2010 / Published: 10 January 2011
(This article belongs to the Special Issue Amorphous Alloys)
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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. View Full-Text
Keywords: thermophysical property; undercooling; liquid metal and alloy; molecular dynamics simulations; Monte Carlo simulations thermophysical property; undercooling; liquid metal and alloy; molecular dynamics simulations; Monte Carlo simulations
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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Lv, Y.J.; Chen, M. Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches. Int. J. Mol. Sci. 2011, 12, 278-316.

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