Related papers: An estimate for thermal diffusivity in highly irra…
The thermal conductivity of a dense {\it multi-component} plasma is critical to the modeling of accreting neutron stars. To this end, we perform large-scale molecular dynamics simulations to calculate the static structure factor of the…
Advances in machine learning have led to the development of foundation models for atomistic materials chemistry, enabling quantum-accurate descriptions of interatomic forces across chemically diverse compounds at reduced computational cost.…
A new model for the thermal spike produced by the nuclear energy loss, as source of transient processes, is derived analytically, for power law dependences of the diffusivity on temperature, as solution of the heat equation. The…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
Liquid metals play a central role in new generation liquid metal cooled nuclear reactors, for which numerical investigations require the use of appropriate thermal turbulence models for low Prandtl number fluids. Given the limitations of…
Constraining the physical and chemical evolution of molecular clouds is essential to our understanding of star formation. These investigations often necessitate knowledge of some local representative number density of the gas along the line…
The unique properties of plastic crystals highlight their potential for use in solid-state refrigeration. However, their practical applications are limited by thermal hysteresis due to low thermal conductivity. In this study, the effect of…
One key challenge for efficiency and safety in fusion devices is the retention of tritium (T) in plasma-facing components. Tritium retention generates radioactive concerns and decreases the amount of fuel available to generate power. Hence,…
The thermal conductance of a one-dimensional classical inertial Heisenberg model of linear size $L$ is computed, considering the first and last particles in thermal contact with heat baths at higher and lower temperatures, $T_{h}$ and…
We investigate phonon thermal transport of fullerene-based single-molecule junctions by employing classical molecular dynamics simulations. The thermal conductances of fullerene monomers, dimers, and trimers are computed through three…
This study presents a preliminary design and simulation of a thermal neutron diffractometer using the McStas Monte Carlo ray-tracing package. The simulated system is based on generalized instrument parameters, including typical collimator…
Molecular dynamics simulations were carried out to test the thermodynamic theory of weakly excited, two-dimensional granular systems [Hayakawa and Hong, Phys. Rev. Lett. 78, 2764 (1997)], where granular materials are viewed as a collection…
Monitoring the dynamics processes in combustors is crucial for safe and efficient operations. However, in practice, only limited data can be obtained due to limitations in the measurable quantities, visualization window, and temporal…
The modeling of stellar spectra is pervasive in astronomy. Conventionally, the shapes of absorption lines are modeled by convolving thermal profiles (computed given some model stellar atmosphere and line list) with broadening kernels…
We present a numerical study of turbulence and dynamo action in stratified shearing boxes with zero mean magnetic flux. We assume that the fluid obeys the perfect gas law and has finite (constant) thermal diffusivity. The calculations begin…
We consider coherent radiative thermal conductance of a multilayer photonic crystal. The crystal consists of alternating layers of lossless dielectric slabs and vacuum, where heat is conducted only through photons. We show that such a…
Molecular dynamics simulations are used to investigate the atomic mobility and diffusivity of a generalized Frenkel-Kontorova model which takes into account anharmonic (exponential) interaction of atoms subjected to a three-dimensional…
By combining ab initio quantum mechanics calculation and Drude model, electron temperature and lattice temperature dependent electron thermal conductivity is calculated and implemented into a multiscale model of laser material interaction,…
The evaluation of transport coefficients in extended systems, such as thermal conductivity or shear viscosity, is known to require impractically long simulations, thus calling for a paradigm shift that would allow to deploy state-of-the-art…
When the variations of surface temperature are measured both spatially and temporally, analytical expressions that correctly account for multi-dimensional transient conduction can be applied. To enhance the accessibility of these accurate…