Related papers: An estimate for thermal diffusivity in highly irra…
A low density binary mixture of granular gases is considered within the Boltzmann kinetic theory. One component, the intruders, is taken to be dilute with respect to the other, and thermal segregation of the two species is described for a…
Context: Thermal conductivity provides important contributions to the energy evolution of the upper solar atmosphere, behaving as a non-linear concentration-dependent diffusion equation. Recently, different methods have been offered as…
Computational atomic-scale methods continue to provide new information about geometry, energetics, and transition states for interstitial elements in crystalline lattices. This data can be used to determine the diffusivity of interstitials…
A combination of reaction-diffusion models with moving-boundary problems yields a system in which the diffusion (spreading and penetration) and reaction (transformation) evolve the system's state and geometry over time. These systems can be…
Atomistic simulations of heat transport in complex materials are costly and hard to converge. This has led to the development of several noise-reduction techniques applicable to equilibrium molecular-dynamics (MD) simulations. We analyze…
Tuning interfacial thermal conductance has been a key task for the thermal management of nanoelectronic devices. Here, it is studied how the interfacial thermal conductance is great influenced by modulating the mass distribution of the…
We investigate the thermal conductivity of plumbene using molecular dynamics simulations, overcoming existing limitations by optimizing the parameters of Tersoff and Stillinger-Weber potentials via artificial neural networks. Our findings…
Neutral hydrogen 21 cm transition is a useful tracer of the neutral interstellar medium. However, inferring physical condition from the observed 21 cm absorption and/or emission spectra is often not straightforward. One complication in…
Turbulent diffuse molecular clouds can exhibit complicated morphologies caused by the interactions among radiation, chemistry, fluids, and fields. We performed full 3D simulations for turbulent diffuse molecular interstellar media,…
Confinement can substantially alter the physicochemical properties of materials by breaking translational isotropy and rendering all physical properties position-dependent. Molecular dynamics (MD) simulations have proven instrumental in…
The economical lifetime of the divertor is a key concern for realizing nuclear fusion reactors that may solve the world's energy problem. A main risk is thermo-mechanical failure of the plasma-facing tungsten monoblocks, as a consequence of…
Ultra-lean premixed hydrogen combustion is a possible solution to decarbonize industry, while limiting flame temperatures and thus nitrous oxide emissions. These lean hydrogen/air flames experience strong preferential diffusion effects,…
Thermal ionization is a critical process at temperatures T > 10 3 K, particularly during star formation. An increase in ionization leads to a decrease in nonideal magnetohydrodynamics (MHD) resistivities, which has a significant impact on…
This paper extends the recently introduced Front Face Flash Method for extraction of thermal diffusivity of thin films to samples of small optical thickness. The paper discusses the principal question whether diffusivity is uniquely defined…
Systems of many nanoparticles or volume-discretized bodies exhibit collective radiative properties that could be used for enhanced, guided, or tunable thermal radiation. These are commonly treated as assemblies of point dipoles with…
Metallic glasses are promising materials with unique mechanical and thermal properties, but their atomic-scale dynamics remain challenging to understand. In this work, we develop a unified approach to investigate the glass transition and…
We study the thermophysical properties of dense helium plasmas by using quantum molecular dynamics and orbital-free molecular dynamics simulations, where densities are considered from 400 to 800 g/cm$^{3}$ and temperatures up to 800 eV.…
In this paper we study the problem of the numerical calculation (by Monte Carlo Methods) of the effective diffusivity for a particle moving in a periodic divergent-free velocity filed, in the limit of vanishing molecular diffusion. In this…
Ab initio molecular dynamics simulation is used to investigate the structure and dynamics of liquid Se at temperatures of 870 and 1370~K. The calculated static structure factor is in excellent agreement with experimental data. The…
The current work examines regimes of the hydrogen-oxygen flame propagation and ignition of mixtures heated by radiation emitted from the flame. The gaseous phase is assumed to be transparent for the radiation, while the suspended particles…