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

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...

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Detalles Bibliográficos
Autores principales: Lv, Yong J., Chen, Min
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2011
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3039953/
https://www.ncbi.nlm.nih.gov/pubmed/21339987
http://dx.doi.org/10.3390/ijms12010278
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author Lv, Yong J.
Chen, Min
author_facet Lv, Yong J.
Chen, Min
author_sort Lv, Yong J.
collection PubMed
description 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.
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spelling pubmed-30399532011-02-18 Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches Lv, Yong J. Chen, Min Int J Mol Sci Review 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. Molecular Diversity Preservation International (MDPI) 2011-01-10 /pmc/articles/PMC3039953/ /pubmed/21339987 http://dx.doi.org/10.3390/ijms12010278 Text en © 2011 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland. http://creativecommons.org/licenses/by/3.0 This article is an open-access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).
spellingShingle Review
Lv, Yong J.
Chen, Min
Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches
title Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches
title_full Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches
title_fullStr Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches
title_full_unstemmed Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches
title_short Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches
title_sort thermophysical properties of undercooled alloys: an overview of the molecular simulation approaches
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3039953/
https://www.ncbi.nlm.nih.gov/pubmed/21339987
http://dx.doi.org/10.3390/ijms12010278
work_keys_str_mv AT lvyongj thermophysicalpropertiesofundercooledalloysanoverviewofthemolecularsimulationapproaches
AT chenmin thermophysicalpropertiesofundercooledalloysanoverviewofthemolecularsimulationapproaches

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