A new simpler method of calculating solute-screw dislocation interaction energies in BCC
structures using a combination of row potential formalism and non-linear elasticity …

Recent interest in chemically-complex solid-solution alloys has produced a number of new
refractory BCC alloys with superior high-temperature properties. Preliminary atomistic …

A new machine-learning interatomic potential, specifically a moment tensor potential (MTP),
is developed for the study of screw-dislocation properties in body-centered-cubic (bcc) Nb in …

Strengthening, ie increased stress required to move a dislocation, in dilute or complex alloys
arises from the totality of the interaction energies between the solutes and an individual …

Solute-dislocation interaction energies are calculated using Density Functional Theory and
the 2-D lattice Greens function approach for Al, Ti, Cr, Fe, Zr, Nb, Mo, Ru, Hf, Ta, W, Re …

Large scale, atomistic simulations of the core structure and mobility of ½ [111] screw, edge
and mixed dislocations in ternary multicomponent alloys (eg High Entropy alloys), NbTiZr …

This study presents a molecular statics (MS)-informed misfit approximation (MA) model for
estimating the interaction energies between substitutional atoms and screw dislocations in …

In order to predict solid solution strengthening in body-centered cubic dilute substitutional
alloys, we developed an atomistically informed kinetic Monte Carlo (kMC) model for screw …

The generalized stacking fault energies (GSFE) and Peierls stresses are strongly related to
the mechanical properties of refractory metals. In this work, the GSFE curves and Peierls …

Refractory multi-element alloys (RMEA) with body-centered cubic (bcc) structure have been
the object of much research over the last decade due to their high potential as candidate …