Related papers: Influence of electronic entropy on Hellmann-Feynma…

We present a new model of electron transport in warm and hot dense plasmas which combines the quantum Landau-Fokker-Planck equation with the concept of mean-force scattering. We obtain electrical and thermal conductivities across several…

Employing the Monte-Carlo method and the exact diagonalization, we have investigated the temperature dependence of the thermoelectric power (TEP) for the double exchange model in the dilute carrier concentration limit. We have found that…

Predicting the melting temperature (Tm) of multi-component and high-entropy alloys (HEAs) is critical for high-temperature applications but computationally expensive using traditional CALPHAD or DFT methods. In this work, we develop a…

We discuss a method to calculate with quantum molecular dynamics simulations the rate of energy exchanges between electrons and ions in two-temperature plasmas, liquid metals and hot solids. Promising results from this method were recently…

We investigate a temperature-based model, called extended two-temperature model (eTTM), that describes the electronic non-equilibrium and its effect on energy dissipation in metals after ultrashort laser excitation. We derive and discuss…

It has been suggested by Timmermans [Phys. Rev. Lett. {\bf 87}, 240403 (2001)] that loss of fermions in a degenerate system causes strong heating. We address the fundamental limit imposed by this loss on the temperature that may be obtained…

A model calculation is given for the energy relaxation of a non-equilibrium distribution of hot electrons prepared in a metallic sample that has been subjected to homogeneous photo-excitation by a femtosecond laser pulse. The model assumes…

The dynamic properties of liquid phase-change materials (PCMs), such as viscosity $\eta$ and atomic self-diffusion coefficients D, play an essential role in ultrafast phase switching behavior of novel non-volatile phase-change memory…

An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach,…

Almost a century ago, Johnson and Nyquist presented evidence of fluctuating electrical current and the governing fluctuation dissipation theorem (FDT). Whether, likewise, temperature T can fluctuate is a controversial topic and has led to…

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…

We use a 1-dimensional tight binding model with an impurity site characterized by electron-vibration coupling, to describe electron transfer and localization at zero temperature, aiming to examine the process of polaron formation in this…

Active thermal control is crucial in achieving the required accuracy and throughput in many industrial applications, e.g., in the medical industry, high-power lighting industry, and semiconductor industry. Thermoelectric Modules (TEMs) can…

We investigate evolution of the intracluster medium (ICM), considering the relaxation process between the ions and electrons. According to the standard scenario of structure formation, ICM is heated by the shock in the accretion flow to the…

Finite-temperature DFT has become of topical interest, partly due to the increasing ability to create novel states of warm-correlated matter (WCM). Subclasses of WCM are Warm-dense matter (WDM), ultra-fast matter (UFM), and high-energy…

Over the last two decades a plethora of new thermoelectric materials, their alloys, and their nanostructures were synthesized. The ZT figure of merit, which quantifies the thermoelectric efficiency of these materials increased from values…

Electronic effects are believed to be important in high--energy radiation damage processes where high electronic temperature is expected, yet their effects are not currently understood. Here, we perform molecular dynamics simulations of…

We report computational uncertainties in Boltzmann Transport Equation (BTE)-based lattice thermal conductivity prediction of 50 diverse semiconductors from the use of different BTE solvers (ShengBTE, Phono3Py, and in-house code) and…

Melting properties are critical for designing novel materials, especially for discovering high-performance, high-melting refractory materials. Experimental measurements of these properties are extremely challenging due to their high melting…

Measurements of the structure of hexagonal RMnO3 (R=rare earths (Ho) and Y) for temperatures significantly above the ferroelectric transition temperature (TFE) were conducted to determine the nature of the transition. The local and long…