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cond-mat.mtrl-sci2022★ 1 cited
Thermal conductivity of glasses above the plateau: first-principles theory and applications
Michele Simoncelli, Francesco Mauri, Nicola Marzari
Predicting the thermal conductivity of glasses from first principles has hitherto been a prohibitively complex problem. In fact, past works have highlighted challenges in achieving…
cond-mat.mtrl-sci2019
Unified theory of thermal transport in crystals and disordered solids
Michele Simoncelli, Nicola Marzari, Francesco Mauri
Crystals and glasses exhibit fundamentally different heat conduction mechanisms: the periodicity of crystals allows for the excitation of propagating vibrational waves that carry h…