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Fundamental properties of warm dense matter are described by the dielectric function, which gives access to the frequency-dependent electrical conductivity, absorption, emission and scattering of radiation, charged particles stopping and…
Two dimensional hard core bosons suffer strong scattering in the high temperature resistive state at half filling. The dynamical conductivity is calculated using non perturbative tools such as continued fractions, series expansions and…
Thermal conductivity and interfacial thermal conductance play crucial roles in the design of engineering systems where temperature and thermal stress are of concerns. To date, a variety of measurement techniques are available for both bulk…
In a previous paper (Paper I) we developed a technique for exactly solving the linearized Boltzmann equation for the electrical and thermal transport coefficients in metals in the low-temperature limit. Here we adapt this technique to…
In this letter we derive a new method for direct calculation of the modal contributions to thermal conductivity, which is termed Green-Kubo modal analysis (GKMA). The GKMA method combines the lattice dynamics formalism with the Green-Kubo…
We investigate the mechanisms involved in the thermomigration of interstitial hydrogen in metals. Using irreversible thermodynamics, we develop a comprehensive mechanistic model to capture the controlling effects. Crucially, through…
We calculate the electronic contribution to the thermal conductance in a quantum dot that is weakly coupled via tunnel barriers to two electrons reservoirs. A linear response model is derived for the calculation of the heat current Q…
We model strange metals as quantum liquids without quasiparticle excitations, but with slow momentum relaxation, and with slow diffusive dynamics of a conserved charge and energy. General expressions are obtained for electrical, thermal and…
The length dependence of the thermal conductivity over more than two decades is systematically studied for a range of materials, interatomic potentials and temperatures, by the atomistic approach-to-equilibrium molecular dynamics method…
A new formalism to describe steady-state electronic and thermal transport in the framework of density functional theory is presented. A one-to-one correspondence is proven between the three basic variables of the theory, i.e., the density…
The thermal conductivities of MoS2 and WS2 have been reported by some experimental and theoretical studies, however, the results are different from each other. Here, thermal transport properties of twelve types of single layer transition…
The temperature dependence of thermodynamic and mechanical properties of six fcc transition metals (Ni, Cu, Ag, Au, Pt, Rh) and the alloying behavior of Ag-Au and Cu-Ni are studied using molecular dynamics (MD). The structures are described…
We developed a novel contactless frequency-domain approach to study thermal transport, which is particularly convenient when thermally anisotropic materials are considered. The method is based on a similar line-shaped heater geometry as…
Many physical properties of metals can be understood in terms of the free electron model, as proven by the Wiedemann-Franz law. According to this model, electronic thermal conductivity ($\kappa_{el}$) can be inferred from the Boltzmann…
Thermal conductivity of a model glass-forming system in the liquid and glass states is studied using extensive numerical simulations. We show that near the glass transition temperture, where the structural relaxation time becomes very long,…
We revisit a phenomenological model of fermions coupled to fluctuating bosons that emerges from finite-momentum particle-particle pairs for describing the strange metal phase in the cuprates. The incoherent bosons dominate the transport…
While there are several methods, e.g., anharmonic lattice dynamics and normal mode decomposition, to compute the modal lattice vibrational information in perfect crystals, the modal information of vibrations, e.g., vibrational relaxation…
A microscopic formalism to calculate thermal transport coefficients is presented based on a thermal vector potential, whose time-derivative is related to a thermal force. The formalism is free from unphysical divergences reported to arise…
We study the low temperature thermal conductivity of single-layer transition metal dichalcogenides. In the low temperature regime where heat is carried primarily through transport of electrons, thermal conductivity is linked to electrical…
Predictive modeling of the phonon/thermal transport properties of materials is vital to rational design for a diverse spectrum of engineering applications. Classical Molecular Dynamics (MD) simulations serve as a tool to simulate the time…