James R. Kermode

Bridging atomistic and continuum descriptions of nanoscale dislocation loops in tungsten

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 arise from radiation damage, is proposed. Continuum models of the displacement, strain, and stress fiel...

Vacancy diffusion in transition metal diborides using diverse machine-learning potentials

Machine-learning interatomic potential (MLIP)-based molecular dynamics enables efficient exploration of mass-transport mechanisms in complex materials together with quantitative determination of diffusion coefficients at finite temperatures. Using an identical training dataset, w...