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

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

Yong J. Lv 1 email and Min Chen 2,* email
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; in revised form: 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.
Keywords: thermophysical property; undercooling; liquid metal and alloy; molecular dynamics simulations; Monte Carlo simulations

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MDPI and ACS Style

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.

AMA Style

Lv YJ, Chen M. Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches. International Journal of Molecular Sciences. 2011; 12(1):278-316.

Chicago/Turabian Style

Lv, Yong J.; Chen, Min. 2011. "Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches." Int. J. Mol. Sci. 12, no. 1: 278-316.

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