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cond-mat.mtrl-sci2025
Reproducible container solutions for codes and workflows in materials science
Dylan Bissuel, Léo Orveillon, Benjamin Arrondeau +15
A computing solution combining the GNU Guix functional package manager with the Apptainer container system is presented. This approach provides fully declarative and reproducible s…
cond-mat.mtrl-sci2024
Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations
Arnaud Allera, Thomas D. Swinburne, Alexandra M. Goryaeva +5
The activation entropy of dislocation glide, a key process controlling the strength of many metals, is often assumed to be constant or linked to enthalpy through the empirical Meye…
cond-mat.mtrl-sci2023
Van der Waals semiconductor InSe plastifies by phase transformation
Yandong Sun, Yupeng Ma, Jin-yu Zhang +4
Inorganic semiconductor materials are integral to various modern technologies, yet their brittleness and limited deformability/processability pose a significant challenge in the de…