A molecular dynamics study of melting and dissociation of tungsten nanoparticles

Molecular dynamics simulations were conducted to study the melting and dissociation of free tungsten nanoparticles. For the various interatomic potentials applied, the melting points of the tungsten nanoparticles increased with increasing nanoparticle diameter. Combining these results with the melti...

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Bibliographic Details
Published inAIP advances Vol. 5; no. 12; pp. 127131 - 127131-10
Main Authors Li, Min, Wang, Jun, Fu, Baoqin, Hou, Qing
Format Journal Article
LanguageEnglish
Published Melville American Institute of Physics 01.12.2015
AIP Publishing LLC
Subjects
COMPUTERIZED SIMULATION
DISSOCIATION
DUSTS
MATERIALS SCIENCE
MELTING
MELTING POINTS
Molecular dynamics
MOLECULAR DYNAMICS METHOD
NANOPARTICLES
Nuclear fusion
POTENTIALS
POWDERS
THERMONUCLEAR REACTOR MATERIALS
TUNGSTEN
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Summary:Molecular dynamics simulations were conducted to study the melting and dissociation of free tungsten nanoparticles. For the various interatomic potentials applied, the melting points of the tungsten nanoparticles increased with increasing nanoparticle diameter. Combining these results with the melting point of bulk tungsten in the experiment, the melting point of nanoparticles with diameters ranging from 4 to 12 nm could be determined. As the temperature increases, free nanoparticles are subject to dissociation phenomena. The dissociation rate was observed to follow Arrhenius behavior, and the Meyer–Neldel rule was obeyed. These results are useful in understanding the behavior of tungsten dust generated in nuclear fusion devices as well as for the preparation, formation, and application of tungsten powders.
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ISSN:2158-3226
2158-3226
DOI:10.1063/1.4939137