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cond-mat.mtrl-sci2025
Hop-Decorate: An Automated Atomistic Workflow for Generating Defect Transport Data in Chemically Complex Materials
Peter Hatton, Blas Pedro Uberuaga, Danny Perez
Chemically complex materials (CCMs) exhibit extraordinary functional properties but pose significant challenges for atomistic modeling due to their vast configurational heterogenei…
cond-mat.mtrl-sci2024
Best of Both Worlds: Enforcing Detailed Balance in Machine Learning Models of Transition Rates
Anjana Anu Talapatra, Anup Pandey, Matthew S. Wilson +4
The slow microstructural evolution of materials often plays a key role in determining material properties. When the unit steps of the evolution process are slow, direct simulation…
cond-mat.mtrl-sci2024
Changes in Dislocation Punching Behavior Due to Hydrogen-Seeded Helium Bubble Growth in Tungsten
Peter Hatton, Danny Perez, Blas Pedro Uberuaga
The accumulation of gas atoms in tungsten is a topic of long-standing interest to the plasma-facing materials community due the metal's use as a divertor material in some tokamak f…