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Physics-informed neural networks for solving time-dependent mode-resolved phonon Boltzmann transport equation
The phonon Boltzmann transport equation (BTE) is a powerful tool for modeling and understanding micro-/nanoscale thermal transport in solids, where...
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Physics-informed deep learning for solving phonon Boltzmann transport equation with large temperature non-equilibrium
Phonon Boltzmann transport equation (BTE) is a key tool for modeling multiscale phonon transport, which is critical to the thermal management of...
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Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation
Nonequilibrium dynamics governed by electron–phonon ( e -ph) interactions plays a key role in electronic devices and spectroscopies and is central to...
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The
elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equationselphbolt is a modern Fortran (2018 standard) code for efficiently solving the coupled electron–phonon Boltzmann transport equations from first...
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Phase-Field Lattice-Boltzmann Study for α-Mg Dendrite Growth of Mg-5wt%Zn Alloy with Forced Convection
Melt flow can significantly change the transport of heat and solute, dendrite growth. In this work, a phase-field lattice-Boltzmann model was...
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Lattice Boltzmann simulation study of anode degradation in solid oxide fuel cells during the initial aging process
For present solid oxide fuel cells (SOFCs), rapid performance degradation is observed in the initial aging process, and the discussion of the...
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An anisotropic lattice Boltzmann - phase field model for dendrite growth and movement in rapid solidification of binary alloys
A model coupling the lattice Boltzmann and the phase field methods with anisotropic effects is proposed, which is used to numerically describe the...
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Charge transport and hydrodynamics in materials
As high-quality single-crystal materials used in electronic devices approach the microscale and nanoscale, charge-transport phenomena in these...
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Intermediate polaronic charge transport in organic crystals from a many-body first-principles approach
Charge transport in organic molecular crystals (OMCs) is conventionally categorized into two limiting regimes − band transport, characterized by weak...
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Influence of point defects and multiscale pores on the different phonon transport regimes
A common strategy to tailor the thermal conductivity of a material is to introduce structural features that modulate phonon scattering, such as...
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Efficient first-principles electronic transport approach to complex band structure materials: the case of n-type Mg3Sb2
We present an efficient method for accurately computing electronic scattering rates and transport properties in materials with complex band...
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Suppressed phonon conduction by geometrically induced evolution of transport characteristics from Brownian motion into Lévy flight
Despite extensive research on quasi-ballistic phonon transport, anomalous phonon transport is still observed in numerous nanostructures. Herein, we...
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Boltzmann Transport Method for Electronic Transport in Complex Bandstructure Materials
The semiclassical Boltzmann Transport Equation (BTE)Boltzmann Transport Equation (BTE) is key in theoretical calculations of thermoelectric...
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Molecular transport enhancement in pure metallic carbon nanotube porins
Nanofluidic channels impose extreme confinement on water and ions, giving rise to unusual transport phenomena strongly dependent on the interactions...
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Kinetic Models Versus Hodograph Equation
Classic kinetic theories for crystal growth and meltingMelting are stated through diffusion- or collision-limited models of fluxes of particle...
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Lattice Thermal Transport of BAs, CdSe, CdTe, and GaAs: A First Principles Study
This article presents a demonstration of the significant impact that the atomic masses of constituent atoms and the isotopically pure and heavy...
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Primitive to conventional geometry projection for efficient phonon transport calculations
The primitive Wigner-Seitz cell and corresponding first Brillouin zone (FBZ) are typically used in calculations of lattice vibrational and transport...
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Simulation of Fluid Flow, Heat Transfer and Particle Transport Inside Open-Cell Foam Filters for Metal Melt Filtration
In order to develop improved filters for metal melt filtration, different physical phenomena that take place during depth filtration of liquid metals...
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Insight into vertical piezoelectric characteristics regulated thermal transport in van der Waals two-dimensional materials
The urgent demand of extreme (ultra-high/low) thermal conductivity materials is triggered by the high-power device, where exploring the theories and...
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Anisotropic charge transport at the metallic edge contact of ReS2 field effect transistors
The in-plane anisotropy of electrical conductance in two-dimensional materials has garnered significant attention due to its potential in emerging...
