Shivanand Yadav

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...