Abstract
Several approaches to theoretical estimation of melting points for refractory metals and compounds by molecular dynamics calculations were analyzed and a new time-saving approach applicable to small two-phase ensembles and personal computers was suggested. The results of numerical calculations for melting points of refractory metals (Ta, W, Mo, V, Cr, Ti, Zr, Hf) and compounds (TiC, TiN, TiB2, TaC) well agree with respective tabulated values.
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This work was financially supported by the Russian Foundation for Basic Research (project no. 18-33-00641).
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Translated by Yu. Scheck
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Rogachev, S.A. Melting Points of Refractory SHS Products: Evaluation by Molecular Dynamics Methods. Int. J Self-Propag. High-Temp. Synth. 29, 133–137 (2020). https://doi.org/10.3103/S1061386220030085
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DOI: https://doi.org/10.3103/S1061386220030085