4 papers · 1 filter
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…
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…
A quantitative model for the Frank-Read dislocation source based on pinned mean curvature flow
Thomas Hudson, Filip Rindler, Joshua Rydell
This work introduces a simple quantitative model for the Frank--Read source, considered to be one of the most important micro-mechanical mechanisms of dislocation creation in cryst…
Dislocation dynamics in Ni-based superalloys: Parameterising dislocation trajectories from atomistic simulations
Geraldine Anis, Thomas Hudson, Peter Brommer
Nanoscale precipitates in the microstructure of nickel-based superalloys hinder dislocation motion, which results in an extraordinary strengthening effect at elevated temperatures.…