Computer simulation of point defects in plutonium using MEAM potentials

被引：15

作者：

Berlu, L. ^{[1
]}

Jomard, G. ^{[2
]}

Rosa, G. ^{[1
]}

Faure, P. ^{[1
]}

机构：

[1] CEA Valduc, F-21120 Is Sur Tille, France

[2] CEA Bruyeres Le Chatel, F-91680 Bruyeres Le Chatel, France

来源：

JOURNAL OF NUCLEAR MATERIALS | 2008年 / 372卷 / 2-3期

关键词：

D O I：

10.1016/j.jnucmat.2006.11.016

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The zero-pressure formation energies of interstitials, vacancies and vacancies clusters have been calculated in face-centered-cubic plutonium using two versions of modified embedded atom potentials. Activation energies of interstitials and single vacancies have also been evaluated. Results for formation and migration energies are very sensitive to the analytical expression of the potential. Energy values are discussed in the context of plutonium self-irradiation simulations. Results give an explanation for defect microstructures composition and stability in thermalized displacements cascades. (C) 2007 Elsevier B.V. All rights reserved.

引用

页码：171 / 176

页数：6

共 20 条

[1]

BACLET N, 2006, RECENT ADV ACTINIDES

[2] SEMIEMPIRICAL MODIFIED EMBEDDED-ATOM POTENTIALS FOR SILICON AND GERMANIUM [J].