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.

中文翻译：

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耐火SHS产品的熔点：通过分子动力学方法评估

摘要

分析了几种通过分子动力学计算理论估算难熔金属和化合物熔点的方法，并提出了一种适用于小型两相组件和个人计算机的节省时间的新方法。难熔金属（Ta，W，Mo，V，Cr，Ti，Zr，Hf）和化合物（TiC，TiN，TiB ₂，TaC）的熔点的数值计算结果与各自的列表值完全吻合。