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cond-mat.mtrl-sci2026
Accurate and Efficient Interatomic Potentials for Dislocations in InP
Thomas Rocke, Thomas Hudson, Richard Beanland +1
We present Atomic Cluster Expansion (ACE) and MACE models trained on a new dataset of Density Functional Theory (DFT) calculations, constructed for the task of studying the mobilit…
cond-mat.mtrl-sci2026
Bridging Atomistic and Continuum Descriptions of Nanoscale Dislocation Loops in Tungsten
Joseph Duque Lopez, Sergei Dudarev, James Kermode +1
In order to predict the long-term effects of irradiation on the material properties of tungsten, a continuum approach to simulating the interactions of dislocation loops, which ari…