261 citations · 2.2k across the 46 of their papers we have counts for
5 papers · 1 filter
Hubbard-like Hamiltonians for interacting electrons in s, p and d orbitals
M. E. A. Coury, S. L. Dudarev, W. M. C. Foulkes +3
Hubbard-like Hamiltonians are widely used to describe on-site Coulomb interactions in magnetic and strongly-correlated solids, but there is much confusion in the literature about t…
The phonon drag force acting on a mobile crystal defect: full treatment of discreteness and non-linearity
T. D. Swinburne, S. L. Dudarev
Phonon scattering calculations predict the drag force acting on defects and dislocations rises linearly with temperature, in direct contradiction with molecular dynamics simulation…
Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials
Felix Hofmann, Daniel R. Mason, Jeffrey K. Eliason +3
Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides a…
Direct observation of size scaling and elastic interaction between nano-scale defects in collision cascades
X. Yi, A. E. Sand, D. R. Mason +4
Using in-situ transmission electron microscopy, we have directly observed nano-scale defects formed in ultra-high purity tungsten by low-dose high energy self-ion irradiation at 30…
Magnetic Cluster Expansion model for random and ordered magnetic face-centered cubic Fe-Ni-Cr alloys
M. Y. Lavrentiev, J. S. Wróbel, D. Nguyen-Manh +2
A Magnetic Cluster Expansion (MCE) model for ternary face-centered cubic Fe-Ni-Cr alloys has been developed using DFT data spanning binary and ternary alloy configurations. Using t…