Microchemical inhomogeneity to characterize atomic configurations in the heating and quenching of a CuHf2 alloy.
作者： Y. Y. Cui , J. H. Li , Y. Dai , B. X. Liu
DOI: 10.1039/C2CP40653E
关键词:
摘要: Based on the constructed Cu–Hf interatomic potential, Monte Carlo simulations were conducted to reveal atomic configurations in heating and quenching of a CuHf2 alloy through scrutinizing evolution microchemical inhomogeneity. Simulations show that crystalline structure becomes more homogeneous during but an obvious drop inhomogeneity appears when reaching its melting point. During process, melt increasingly inhomogeneous shows change slope around glass transition temperature. Simulation results evidenced by packing analysis Voronoi tessellation method. The implications our study suggest could be visualized as process involving increase from liquid glassy state.
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