Molecular Dynamics Study on Growth Mechanism of Pure Metals Solid-Liquid Interface During Solidification

doi:10.19596/j.cnki.1001-246x.7779

Abstract

Abstract: Solidification of solid-liquid interface of simple metals (Ni and Al) is investigated with molecular dynamics simulation. Two metals show a common feature that growth rate approach to a maximum at a critical temperature (T^*). Above T^*, growth behaviors are similar as reflected by monotonically increased growth rate with increasing undercooling temperature. However, below T^*, grow rate is nearly constant for Ni, while it rapidly decreases to zero for Al with increasing undercooling temperature. High-temperature Broughton-Gilmer-Jackson(BGJ) model and low-temperature Wilson-Frenkel (W-F) model are used to describe growth mechanism. At small undercooling and deep undercooling temperature zone, solid-liquid interface is formed by gradual change between collision and diffusion mechanism, and the dominated one varies in different temperature ranges.

Key words: molecular dynamics simulation, solid-liquid interface, EAM potential, growth mechanism

CLC Number:

O469
O414.13

ZHANG Haiyan, YIN Xinchun. Molecular Dynamics Study on Growth Mechanism of Pure Metals Solid-Liquid Interface During Solidification[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2019, 36(1): 80-88.

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