Molecular dynamics simulation of melting behavior of GaN nanowires
Molecular dynamics simulation of melting behavior of GaN nanowires
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DOI：
10.1016/j.scriptamat.2006.11.013
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发表时间：
2007-03-01
影响因子：
6
通讯作者：
Choi, Chang Hwan
中科院分区：
文献类型：
--
作者：
Moon, Won Ha;Kim, Hyun Jun;Choi, Chang Hwan
采用分子动力学模拟方法研究了六方GaN纳米线的结构稳定性和熔化特性。具有（10-10）晶面的GaN纳米线比具有（11-20）晶面的GaN纳米线在能量上更稳定。具有（10-10）面的GaN纳米线的熔化温度远低于体GaN的熔化温度，并且由于表面能的增加而随着直径的减小而降低。研究了GaN纳米线结构随温度的变化以及熔化温度的尺寸效应。(c)2006 Acta Materialia Inc.由爱思唯尔有限公司出版。保留所有权利。
The structural stability and melting characteristics of hexagonal GaN nanowires are investigated using molecular dynamics simulations. The GaN nanowire with (10-10) facets is energetically more stable than that with (11-20). The melting temperature of GaN nanowires with (10-10) facets is much lower than that of bulk GaN and decreases with decreasing diameter, due to the surface energy increased. The structural transition of GaN nanowires with increasing temperature and the size effect of the melting temperature are also studied. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.