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The electron-phonon coupling in ultrafast heating systems is studied within the framework of Boltzmann transport equation (BTE) with coupled electron and phonon transport. A discrete unified gas kinetic scheme is developed to solve the BTE,…
Thermoelectric (TE) refrigeration such as Peltier cooler enables a unique opportunity in electric energy to directly convert thermal energy. Here, we propose a TE module with both refrigeration and power generation modes by utilizing…
The femtosecond laser pulse heating of silver film is investigated by performing quantum mechanics (QM), molecular dynamics (MD) and two temperature model (TTM) integrated multiscale simulation. The laser excitation dependent electron…
This review presents an overview of the thermal properties of mesoscopic structures. The discussion is based on the concept of electron energy distribution, and, in particular, on controlling and probing it. The temperature of an electron…
Edge-localized-mode (ELM) filaments are crucial for cross-field transport at the tokamak edge; yet, their dynamics are often analyzed using the cold-ion approximation, despite experimental data indicating that Ti~Te . This study employs a…
Atom-in-jellium calculations of the Einstein frequency were used to calculate the mean displacement of an ion over a wide range of compression and temperature. Expressed as a fraction of the Wigner-Seitz radius, the displacement is a…
The modern means of controlled irradiation by femtosecond lasers or swift heavy ion beams can transiently produce such energy densities in samples that reach collective electronic excitation levels of the warm dense matter state where the…
The high temperature expansion (HTE) of the specific heat of a spin system fails at low temperatures, even if it is combined with a Pad\'e approximation. On the other hand we often have information about the low temperature asymptotics…
Lattice parameter, electronic structure, mechanical and thermodynamic properties of ThN are systematically studied using the projector-augmented-wave method and the generalized gradient approximation based on the density functional theory.…
We report a molecular dynamics simulation of melting of tungsten (W) nanoparticles. The modified embedded atom method (MEAM) interatomic potentials are used to describe the interaction between tungsten atoms. The melting temperature of…
With the aim of improving the performance of classical paramagnetic salts for adiabatic refrigeration processes at the sub-Kelvin range, relevant thermodynamic parameters of some new Yb-based intermetallic compounds are analyzed and…
The structural stability of thermoelectric materials is a subject of growing importance for their energy harvesting applications. Here, we study the microscopic mechanisms governing the structural stability change of zinc antimony at its…
We present results of molecular dynamics (MD) simulations for a non-entangled polymer melt confined between two completely smooth and repulsive walls, interacting with inner particles via the potential $U_{\rm wall}\myeq (\sigma/z)^9$,…
Ultrafast optical excitation of metals induces a non-equilibrium energy distribution in the electronic system, with a characteristic step-structure determined by Pauli blocking. On a femtosecond timescale, electron-electron scattering…
We consider temperature-induced melting of a Wigner solid in one dimensional (1D) and two dimensional (2D) lattices of electrons interacting via the long-range Coulomb interaction in the presence of strong disorder arising from charged…
Using molecular dynamics (MD) simulation, we have calculated the melting temperature of two-dimensional electron systems on $ 240$\AA-$ 500$\AA helium films supported by substrates of dielectric constants $ \epsilon_{s}=2.2-11.9$ at areal…
We performed first-principles molecular dynamics calculations for lithium using the projector augmented waves method and the generalized gradient approximation as exchange-correlation energy. The melting curve of lithium was computed using…
The analysis of Balmer-dominated optical spectra from non-radiative (adiabatic) SNRs has shown that the ratio of the electron to proton temperature temperature at the blast wave is close to unity at v_s <= 400 km/s, but declines sharply…
{\em Ab initio} techniques based on density functional theory in the projector-augmented-wave implementation are used to calculate the free energy and a range of other thermodynamic properties of liquid iron at high pressures and…
The vibrational entropy of a solid at finite temperature is investigated from the perspective of information theory. Ab initio molecular dynamics (AIMD) simulations generate ensembles of atomic configurations at finite temperature from…