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cond-mat.mtrl-sci2026
Thermodynamics and dynamics of non-compact prismatic dislocation loops simulated using a machine-learning model
Sho Hayakawa, Sergei L. Dudarev, Max Boleininger
We explore how the thermodynamic properties and dynamics of a self-interstitial prismatic dislocation loop are affected by microscopic-scale variations in its geometric configurati…
cond-mat.mtrl-sci2025
Review of point defect structures in hexagonal close packed metals and across the Periodic Table
Andrew Ralph Warwick, Pui-Wai Ma, Sergei Lvovich Dudarev
We present a comprehensive ab initio dataset of formation energies and elastic properties of intrinsic point defects across all the transition and rare earth hexagonal close packed…
cond-mat.mtrl-sci2024
Atomistic simulations of athermal irradiation creep and swelling of copper and tungsten in the high dose limit
Luca Reali, Max Boleininger, Daniel R. Mason +1
Radiation creep and swelling are irreversible deformation phenomena occurring in materials irradiated even at low temperatures. On the microscopic scale, energetic particles initia…