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cond-mat.mtrl-sci2025
Adaptation of Wallace's Approach to the Specific Heat of Elemental Solids with Significant Intrinsic Anharmonicity, Particularly the Light Actinide Metals
Christopher A. Mizzi, W. Adam Phelan, Matthew S. Cook +6
The quasiharmonic approximation is the most common method for modeling the specific heat of solids; however, it fails to capture the effects of intrinsic anharmonicity. In this stu…
cond-mat.mtrl-sci2024
A noncollinear density functional theory ansatz for the phononic and thermodynamic properties of -Pu
Alexander R. Muñoz, W. Adam Phelan, Matthew S. Cook +6
Plutonium's phase diagram is host to complex structures and interactions that make the description of its ground state properties elusive. Using all-electron density functional the…