Theoretical prediction and experimental study on the growth morphology of benzophenone crystals

被引：10
|
作者：
Wang, WL [1 ]
Wang, M [1 ]
Huang, WD [1 ]
机构：
[1] Northwestern Polytech Univ, State Key Lab Solidificat Proc, Xian 710072, Peoples R China
来源：
MATERIALS LETTERS | 2005年 / 59卷 / 16期
关键词：
organic nonlinear optical crystals; growth morphology; molecule dynamics calculation;
D O I：
10.1016/j.matlet.2005.01.029
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
With the characteristics of molecular basic interaction and heat movement considered, molecule dynamics calculation was used to calculate the slice energy and attachment energy, and then the morphology of benzophenone crystals was predicted based on BFDH model and Hartman-Perdok theory. The theoretical predictions were compared with the practical morphology of benzophenone crystals grown from undercooled melt. It was found that the predicting morphology based on the slice energy criterion of Hartman-Perdok theory was more consistent with the practical morphology. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：1976 / 1979
页数：4
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