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Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches
Key Laboratory of Cluster Science, Ministry of Education of China, Department of Physics, Beijing Institute of Technology, Beijing 100081, China
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
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.
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.
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.