Preprint
Oct 2026
First-Principles-Informed Modeling of Thermal Transport and Laser-Induced Heating in Ultrahigh-Temperature Carbides
Using first-principles density functional theory and Boltzmann transport calculations, we systematically investigate the electronic structure, lattice and electronic thermal transport, optical response, and laser-induced heating of ultrahigh-temperature carbides (UHTCs), including Group IV (TiC, ZrC, and HfC) and Group...
Shivanand Yadav, Shailendra Kumar Verma, V. Dwivedi et al.
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