Geometry optimization for Thomas-Fermi type theories for solids

被引:5
作者
Blanc, X
Le Bris, C
机构
[1] Ecole Natl Ponts & Chaussees, CERMICS, F-77455 Champs Sur Marne, Marne La Vallee, France
[2] Ecole Normale Super, F-75230 Paris 05, France
来源
COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE I-MATHEMATIQUE | 1999年 / 329卷 / 06期
关键词
D O I
10.1016/S0764-4442(00)80060-9
中图分类号
O1 [数学];
学科分类号
0701 ; 070101 ;
摘要
We study here the problem of geometry optimization for a crystal in the TFW solid-state setting, i.e the problem of minimizing the TFW energy with respect to the periodic lattice defining the positions of the nuclei. We show the existence of such a minimum. One step of our work consists in derivating TFW-type models for polymers and thin films. (C) 1999 Academie des Sciences/Editions scientifiques et medicales Elsevier SAS.
引用
收藏
页码:551 / 556
页数:6
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