New Lennard-Jones metastable phase

被引：11

作者：

Eshet, Hagai ^{[1
]}

Bruneval, Fabien ^{[1
,2
]}

Parrinello, Michele ^{[1
]}

机构：

[1] Swiss Fed Inst Technol, Dept Chem & Appl Biosci, CH-6900 Lugano, Switzerland

[2] CEA, DEN, Serv Rech Met Phys, F-91191 Gif Sur Yvette, France

来源：

JOURNAL OF CHEMICAL PHYSICS | 2008年 / 129卷 / 02期

关键词：

D O I：

10.1063/1.2953327

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Despite the extensive use of the Lennard-Jones potential in atomistic simulations, we present a metastable phase not reported so far for the Lennard-Jones solid. This phase having space group I 4- 3d arises from distortion of the body-centered cubic network. In contrast to the body-centered cubic phase, the I 4- 3d phase possesses a noticeable range of metastability. © 2008 American Institute of Physics.

引用

页数：2

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