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.
2011. Vol. 408, no 1, 61-66 p.