Published March 2013
| Version v1
Journal article
Density-functional study of bcc U–Mo, Np–Mo, Pu–Mo, and Am–Mo alloys
Creators
- 1. Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States)
Description
Density-functional theory, previously used to describe phase equilibria in the γ-U–Mo alloys [A. Landa, P. Söderlind, P.E.A. Turchi, J. Nucl. Mater. 414 (2011) 132], is extended to study ground-state properties of the bcc-based (γ) X–Mo (X = Np, Pu, and Am) solid solutions. We discuss how the heat of formation correlates with the charge transfer between the alloy components, and how magnetism influences the deviation from Vegard's law for the equilibrium atomic volume
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jnucmat.2012.11.033Additional details
Identifiers
- DOI
- 10.1016/j.jnucmat.2012.11.033;
- PII
- S0022-3115(12)00619-8;
Publishing Information
- Journal Title
- Journal of Nuclear Materials
- Journal Volume
- 434
- Journal Issue
- 1-3
- Journal Page Range
- p. 31-37
- ISSN
- 0022-3115
- CODEN
- JNUMAM
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 45067243
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- ALLOYS; BCC LATTICES; DENSITY FUNCTIONAL METHOD; FORMATION HEAT; GROUND STATES; PHASE DIAGRAMS; SOLID SOLUTIONS
- Descriptors DEC
- CALCULATION METHODS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; DIAGRAMS; DISPERSIONS; ENERGY LEVELS; ENTHALPY; HOMOGENEOUS MIXTURES; INFORMATION; MIXTURES; PHYSICAL PROPERTIES; REACTION HEAT; SOLUTIONS; THERMODYNAMIC PROPERTIES; VARIATIONAL METHODS
Optional Information
- Copyright
- Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.