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3 papers
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…
Generalization of Fourier's law into viscous heat equations
Michele Simoncelli, Nicola Marzari, Andrea Cepellotti
Heat conduction in dielectric crystals originates from the propagation of atomic vibrations, whose microscopic dynamics is well described by the linearized phonon Boltzmann transpo…
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…