LOCAL VOLUME POTENTIALS FOR ACTINIDE METALS

被引：3

作者：

CHEN, SP

机构：

[1] Theoretical Division, Los Alamos National Laboratory, Los Alamos

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 1992年 / 185卷 / 02期

关键词：

D O I：

10.1016/0925-8388(92)90482-O

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：

We have generated preliminary local volume potentials with a self-looping fitting procedure for the actinide metals thorium and plutonium based on the available experimental data of their cohesions and lattice constants and estimates of elastic constants and vacancy energies. This effort is an attempt to model the mechanical and transport properties and the stability of phases of these actinide metals under various pressures and temperatures. The successes and deficiencies will be discussed.

引用

页码：353 / 362

页数：10

共 34 条

[1] EXPLICIT, 1ST-PRINCIPLES TIGHT-BINDING THEORY [J].