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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…
cond-mat.mtrl-sci2016★ 185 cited
Development of an Interatomic Potential for the Simulation of Defects, Plasticity and Phase Transformations in Titanium
M. I. Mendelev, T. L. Underwood, G. J. Ackland
New interatomic potentials describing defects, plasticity and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperat…