Density-functional study of bcc Pu-U, Pu-Np, Pu-Am, and Pu-Cm alloys

被引：7

作者：

Landa, A. ^{[1
]}

Soederlind, P. ^{[1
]}

Turchi, P. E. A. ^{[1
]}

Vitos, L. ^{[2
,3
]}

Peil, O. E. ^{[2
,4
]}

Ruban, A. V. ^{[2
]}

机构：

[1] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA

[2] Royal Inst Technol, SE-10044 Stockholm, Sweden

[3] Uppsala Univ, SE-75121 Uppsala, Sweden

[4] Univ Hamburg, D-20355 Hamburg, Germany

来源：

JOURNAL OF NUCLEAR MATERIALS | 2011年 / 408卷 / 01期

基金：

瑞典研究理事会;

关键词：

CONSTITUENT REDISTRIBUTION; PHASE-DIAGRAM; MINOR ACTINIDES; SPECIAL POINTS; ZR; TEMPERATURE; PLUTONIUM; BEHAVIOR;

D O I：

10.1016/j.jnucmat.2010.10.066

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Density-functional theory previously used to describe phase equilibria in the gamma-Pu-U-Zr alloys [A. Landa, P. Soderlind, PEA. Turchi, L. Vitos, A. Ruban, J. Nucl. Mater. 385 (2009) 68; A. Landa, P. Soderlind, PEA. Turchi, L. Vitos, A. Ruban, J. Nucl. Mater. 393 (2009) 141], is extended to study ground-state properties of the gamma-Pu-Np, gamma-Pu-Am, and gamma-Pu-Cm solid solutions. Calculated heats of formation are compared with CALPHAD assessments where possible. We discuss how the heat of formation correlates with the charge transfer between the alloy components. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：61 / 66

页数：6

共 45 条

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