本文应用周期键链(PBC)概念及Lennard-Jones n-m势能参数借助计算机对金属间化合物ZrAl_3晶体各重要晶面的附着能及表面能进行了计算,导出了该晶体的平衡形态与生长形态。并将理论生长形态与熔体生长试验所观察到的实际生长形态进行了比较。
The attachment energy and specific surface energy of important faces of a ZrAl_3 crystal have been calculated by computer using the periodic bond chain method and the Lennard-Jones n-m potential parameters. The equilibrium form and growth form of the crystal have been deduced, and the theoretical growth form has been compared with the actual growth form observed in a melt growth experiment.
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