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Molecular Dynamics Study on Growth Mechanism of Pure Metals Solid-Liquid Interface During Solidification
ZHANG Haiyan, YIN Xinchun
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
2019, 36 (1):
80-88.
DOI: 10.19596/j.cnki.1001-246x.7779
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.
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