4.7 Article

Molecular dynamic calculation of solidification kinetic coefficient of metallic γ metallic uranium

Journal

JOURNAL OF NUCLEAR MATERIALS
Volume 559, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.jnucmat.2021.153369

Keywords

Metallic uranium; Molecular dynamic; Free solidification simulation; Fluctuation simulation; Solidification kinetic coefficients

Funding

  1. Discipline Development Fund of the Key Laboratory of Surface Physics and Chemistry [XKFZ201701]
  2. Institute of Materials, China Academy of Engineering Physics [TB310301]

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In this study, the solidification kinetic coefficients of gamma metallic uranium were calculated using free solidification simulation (FSS) and interface fluctuation simulation (FS) based on molecular dynamic methods. The results indicate that FSS and FS have similar performance.
In this study, free solidification simulation (FSS) and interface fluctuation simulation (FS), which were both based on molecular dynamic (MD) methods, were employed to calculate the solidification kinetic coefficients of gamma metallic uranium. The calculation results of FSS were mu(100 )= 31.94 cm/s/K, mu(110) = 35.61 cm/s/K, and mu(111) = 28.42 cm/s/K; while the results of FS were mu 100 = 39.99 cm/s/K, mu(110) = 33.78 cm/s/K, and mu(111) = 36.80 cm/s/K, indicating that FSS and FS have similar performance. (C) 2021 Elsevier B.V. All rights reserved.

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