Related papers: Semi-implicit Lax-Wendroff kinetic scheme for mult…
Lattice Boltmzmann Methods (LBM) have been proved to be very effective methods for computational aeroacoustics (CAA), which have been used to capture the dynamics of weak acoustic fluctuations. In this paper, we propose a strategy to reduce…
We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…
In this work, we proposed a diffuse interface model for the dendritic growth with thermosolutal convection. In this model, the sharp boundary between the fluid and solid dendrite is replaced by a thin but nonzero thickness diffuse…
We present an accurate and efficient formulation for the calculation of phonons in real-space Kohn-Sham density functional theory. Specifically, employing a local exchange-correlation functional, norm-conserving pseudopotential in the…
The particles model, the collision model, the polynomial development used for the equilibrium distribution, the time discretization and the velocity discretization are factors that let the lattice Boltzmann framework (LBM) far away from its…
Exciton transport in 2D semiconductors holds promise for room-temperature, ultra-compact optoelectronic devices, but it is limited by short propagation distances. Hybridization of excitons with cavity photons to form exciton-polaritons can…
We present a calculation of the lattice thermal conductivity of Si-Ge nanowires (NWs), based on solving the Boltzmann transport equation by the Monte Carlo method of sampling the phonon mean free paths. We augment the previous work with the…
The microscale thermal transport properties of $\alpha$RDX are believed to be major factors in the initiation process. In this study we present a thorough examination of phonon properties which dominate energy storage and transport in…
Previous studies have predicted the failure of Fourier's law of thermal conduction due to the existence of wave like propagation of heat with finite propagation speed. This non-Fourier thermal transport phenomenon can appear in both the…
We investigate the microscopic mechanism of ultralow lattice thermal conductivity ($\kappa_l$) of TlInTe$_2$ and its weak temperature dependence using a unified theory of lattice heat transport that considers contributions arising from the…
We present a general coupled electron-phonon Boltzmann transport equations (BTEs) scheme designed to capture the mutual drag of the two interacting systems. By combining density functional theory based first principles calculations of…
Solute transport in fluid-particle systems is a fundamental process in numerous scientific and engineering disciplines. The simulation of it necessitates the consideration of solid particles with intricate shapes and sizes. To address this…
A double-distribution-function based lattice Boltzmann method (DDF-LBM) is proposed for the simulation of polyatomic gases in the supersonic regime. The model relies on an extended equilibrium state that is constructed to reproduce the…
The Quantum Lattice Boltzmann Method (QLBM) has emerged as one of the most promising quantum computing approaches for the numerical simulation of problems in computational fluid dynamics (CFD). The dynamics is formulated in terms of…
Metals play a crucial role in heat management in electronic devices, such as integrated circuits, making it vital to understand heat transport in elementary metals and alloys. In this work, we systematically study phonon thermal transport…
Starting from the recently proposed energy-based deviational formulation for solving the Boltzmann equation [J.-P. Peraud and N. G. Hadjiconstantinou, Phys. Rev. B 84, 2011], which provides significant computational speedup compared to…
This paper presents an ab initio methodology to account for electron-phonon interactions in 2D materials, focusing on transition metal dichalcogenides (TMDCs). It combines density functional theory and maximally localized Wannier functions…
The lattice Boltzmann equation (LBE), rooted in kinetic theory, provides a powerful framework for capturing complex flow behaviour by describing the evolution of single-particle distribution functions (PDFs). Despite its success, solving…
Recent experiments have provided compelling and renewed interest in phonon hydrodynamics. At variance with ordinary diffusive heat transport, this regime is primarily governed by momentum-conserving phonon collisions. At the mesoscopic…
A complex approach phonon quantum discrete model (PQDM) was developed to describe dynamics, kinetics and statistics of phonons in carbon nanostructures with zero-chirality of both zig-zag and armchair geometry. The model allows include into…