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cond-mat.mtrl-sci2024
Kink-Helium Interactions in Tungsten: Increased Dislocation Mobility in the Infinitely Dilute Regime
Matthew Nutter, James R. Kermode, Albert P. Bartók
Point defects such as interstitial atoms are known to be attracted to screw dislocations. Understanding these interaction mechanisms is key to predicting the plasticity of real mat…
cond-mat.mtrl-sci2023
Gaussian Approximation Potentials: theory, software implementation and application examples
Sascha Klawohn, Gábor Csányi, James P. Darby +3
Gaussian Approximation Potentials are a class of Machine Learned Interatomic Potentials routinely used to model materials and molecular systems on the atomic scale. The software im…
cond-mat.mtrl-sci2023
A collinear-spin machine learned interatomic potential for FeCrNi alloy
Lakshmi Shenoy, Christopher D. Woodgate, Julie B. Staunton +4
We have developed a new machine learned interatomic potential for the prototypical austenitic steel FeCrNi, using the Gaussian approximation potential (GAP) framework.…