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cond-mat.mtrl-sci2026
Illuminating early ZrC oxidation using ensemble small-cell DFT with dynamic gas management
Philip Wurzner, Boyang Chen, Matthias Möller +3
During zirconium carbide oxidation, liberated carbon can remain beneath the oxide or escape as gas, complicating the interpretation of mass measurements. We adapt the small-cell en…
cond-mat.mtrl-sci2023
Lower (negative) bounds on the static electric susceptibility of non-equilibrium cubic crystals
R. Dutta, P. D. Wurzner, F. Castles
We use a classical, microscopic model of point-like dipolarizable entities (a model that is standard in the case of positive polarizability) and investigate its behavior for simple…