会议论文详细信息
International Conference on Synthesis and Consolidation of Powder Materials | |
Applicability of molecular dynamics method to the prediction of the melting point of refractory metals and compounds | |
Rogachev, S.A.^1 | |
Merzhanov Institute of Structural Macrokinetics and Material Science, Russian Academy of Sciences, Chernogolovka, Moscow | |
142432, Russia^1 | |
关键词: Embedded atom models; Experimental values; First principles models; Molecular dynamics methods; Pure metals; | |
Others : https://iopscience.iop.org/article/10.1088/1757-899X/558/1/012038/pdf DOI : 10.1088/1757-899X/558/1/012038 |
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来源: IOP | |
【 摘 要 】
Various methods for measuring the melting point using embedded atom model (EAM) and from first principles modeling are considered. The features of each of them are shown. The results of the work of these methods are compared with the experimental values on the example of systems consisting of pure metals such as Fe, Pd, Ti, Pt Zr, Mo, Ta, W. Good agreement of the estimated melting points with experimental values is shown.
【 预 览 】
Files | Size | Format | View |
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Applicability of molecular dynamics method to the prediction of the melting point of refractory metals and compounds | 625KB | download |