Showing cond-mat.mtrl-sciShow all
3 papers · 1 filter
cond-mat.mtrl-sci2026
An activation-relaxation technique study of two-level system impact on internal dissipation using DFT-based moment tensor potential
Renaude Girard, Carl Lévesque, Normand Mousseau +1
We use a recently-developed machine-learned Moment Tensor Potential (MTP) trained on data generated with the density functional theory (DFT) and tailored to amorphous silicon coupl…
cond-mat.mtrl-sci2024
Understanding the Influence of Hydrogen on BCC Iron Grain Boundaries using the Kinetic Activation Relaxation technique (k-ART)
Aynour Khosravi, Jun Song, Normand Mousseau
Hydrogen embrittlement (HE) poses a significant challenge in the mechanical integrity of iron and its alloys. This study explores the influence of hydrogen atoms on two distinct gr…
cond-mat.mtrl-sci2024
Kinetics of hydrogen and vacancy diffusion in iron: A Kinetic Activation Relaxation technique (k-ART) study
Aynour Khosravi, Jun Song, Normand Mousseau
We investigate hydrogen (H) and mono and divacancy-hydrogen complexes (VH and VH) diffusion in body-centered-cubic (BCC) iron using the kinetic Activation-Relaxation Te…