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cond-mat.stat-mech2023
Sensitivity of solid phase stability to the interparticle potential range: studies of a new Lennard-Jones like model
Olivia S. Moro, Vincent Ballenegger, Tom L. Underwood +1
In a recent article, Wang et al (Phys. Chem. Chem. Phys., 22, 10624 (2020)) introduced a new class of interparticle potential for molecular simulations. The potential is defined by…
cond-mat.mtrl-sci2023
Grain boundary segregation and phase separation in ceria-zirconia from atomistic simulation
Tom L. Underwood, Susanna Vigorito, Marco Molinari +4
Doping is the most common strategy employed in the development of new and improved materials. However, predicting the effects of doping on the atomic-scale structure of a material…