[HTML][HTML] Heat equations beyond Fourier: From heat waves to thermal metamaterials

R Kovács - Physics Reports, 2024 - Elsevier
In the past few decades, numerous heat conduction models extending beyond Fourier's
have been developed to account for large gradients, fast phenomena, wave propagation …

Advances in thermal conductivity for energy applications: a review

Q Zheng, M Hao, R Miao, J Schaadt… - Progress in Energy, 2021 - iopscience.iop.org
Thermal conductivity is a crucial material property for a diverse range of energy
technologies, ranging from thermal management of high power electronics to thermal …

Wigner formulation of thermal transport in solids

M Simoncelli, N Marzari, F Mauri - Physical Review X, 2022 - APS
Two different heat-transport mechanisms are discussed in solids. In crystals, heat carriers
propagate and scatter particlelike as described by Peierls's formulation of the Boltzmann …

Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials

C Verdi, F Karsai, P Liu, R **nouchi… - npj Computational …, 2021 - nature.com
Abstract Machine-learned interatomic potentials enable realistic finite temperature
calculations of complex materials properties with first-principles accuracy. It is not yet clear …

Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach

L Isaeva, G Barbalinardo, D Donadio… - Nature communications, 2019 - nature.com
We introduce a novel approach to model heat transport in solids, based on the Green-Kubo
theory of linear response. It naturally bridges the Boltzmann kinetic approach in crystals and …

Viscosity in water from first-principles and deep-neural-network simulations

C Malosso, L Zhang, R Car, S Baroni… - npj Computational …, 2022 - nature.com
We report on an extensive study of the viscosity of liquid water at near-ambient conditions,
performed within the Green-Kubo theory of linear response and equilibrium ab initio …

Perspective on ab initio phonon thermal transport

L Lindsay, A Katre, A Cepellotti, N Mingo - Journal of Applied Physics, 2019 - pubs.aip.org
ABSTRACT Coupling of the Peierls-Boltzmann equation with density functional theory
paved the way for predictive thermal materials discovery and a variety of new physical …

Heat transport in liquid water from first-principles and deep neural network simulations

D Tisi, L Zhang, R Bertossa, H Wang, R Car, S Baroni - Physical Review B, 2021 - APS
We compute the thermal conductivity of water within linear response theory from equilibrium
molecular dynamics simulations, by adopting two different approaches. In one, the potential …

Many-body Green's function approach to lattice thermal transport

G Caldarelli, M Simoncelli, N Marzari, F Mauri… - Physical Review B, 2022 - APS
Recent progress in understanding thermal transport in complex crystals has highlighted the
prominent role of heat conduction mediated by interband tunneling processes, which …

Mori generalized master equations offer an efficient route to predict and interpret polaron transport

S Bhattacharyya, T Sayer, A Montoya-Castillo - Chemical Science, 2024 - pubs.rsc.org
Predicting how a material's microscopic structure and dynamics determine its transport
properties remains a fundamental challenge. To alleviate this task's often prohibitive …