A THEORETICAL-STUDY OF THE 1ST-ORDER GAMMA-ALPHA AND ALPHA-BETA PHASE-TRANSITIONS OF P-DICHLOROBENZENE

被引：8
作者：
ROYER, J
SKALLI, M
BAYARD, F
DECORET, C
机构：
[1] Université Claude Bernard Lyon I, ER 60 CNRS, F-69622 Villeurbanne Cédex, 43 Boulevard du
来源：
JOURNAL OF CRYSTAL GROWTH | 1993年 / 130卷 / 1-2期
关键词：
D O I：
10.1016/0022-0248(93)90862-Q
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
A theorical study of the gamma - alpha and alpha - beta phase transitions of p-dichlorobenzene with the aim of elucidating the effect of crystal forces on these transitions is presented. Our calculations are in agreement with experience concerning the necessities of microcavities for the nucleation. The Monte Carlo technique efficiently simulates the growth of the nucleus since the final positions of the molecules correspond to the positions given by the crystal structure with a statistical weight of about 30-40%.
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页码：280 / 286
页数：7
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