Related papers: Simulation of the electrocaloric effect based on f…
The effects of electromagnetic fields (EMF) have been widely debated concerning their role in chemical reactions. Reactions usually took hours or days to complete, and have been shown to happen a thousand times faster using EMF radiations.…
Thermodynamics of a pseudospin-electron model without correlations is investigated. The correlation functions, the mean values of pseudospin and particle number, as well as the thermodynamic potential are calculated. The calculation is…
We present a novel approach to investigate the long-time stochastic dynamics of multi-dimensional classical systems, in contact with a heat-bath. When the potential energy landscape is rugged, the kinetics displays a decoupling of short and…
This work studies the influence of several compositional effects on thermal and reactive processes. First, the impact of using a fully compositional model in the context of thermal simulations is considered. Detailed phase behavior models…
The capabilities of a simulation tool for the in-depth analysis of the thermal impacts on the performances of solar cells are described. TASC-1D (Thermal Analysis of Solar Cells - 1D, version cSi) solves the coupled electrical, radiative…
The influence of defect dipoles on the electrocaloric effect (ECE) in acceptor doped BaTiO$_3$ is studied by means of lattice-based Monte-Carlo simulations. A Ginzburg-Landau type effective Hamiltonian is used. Oxygen vacancy-acceptor…
A setup for studying the influence of external electric fields on dynamic surface processes is described. Spatially-extended homogeneous electric fields are realized by applying a DC voltage in between a planar electrode and a metallic…
Three-dimensional numerical model is developed and applied for studies of physical processes in Electron Cyclotron Resonance Ion Source. The model includes separate modules that simulate the electron and ion dynamics in the source plasma in…
We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same footing. The method is based on a predictive…
The electronic transport behaviour of materials determines their suitability for technological applications. We develop an efficient method for calculating carrier scattering rates of solid-state semiconductors and insulators from first…
The present study is concerned with simulating the thermalization of high-energy charge carriers (electrons and/or electron-hole pairs), generated by ionizing radiation, in diamond and $\beta$-Ga$_2$O$_3$. Computational tools developed by…
Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…
A review is given for the theoretical framework to give a reliable prediction of the superconducting transition temperature Tc from first principles, together with a practical strategy for its application to actual materials with…
In this paper, the calorimetric power measurement method for electron cyclotron resonance heating system on EAST are presented. This method requires measurement of the water flow through the cooling circuits and the input and output water…
We are proposing to test experimentally the new idea of Enhanced Optical Cooling (EOC) in an electron storage ring. This experiment will confirm new fundamental processes in beam physics and will demonstrate new unique possibilities with…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
Molecular dynamics simulations of 3C-SiC have been performed as a function of pressure and temperature. These simulations treat both electrons and atomic nuclei by quantum mechanical methods. While the electronic structure of the solid is…
Supersolidity in a dipolar Bose-Einstein condensate (BEC), which is the coexistence of crystalline density modulation and global phase coherence, emerges from the interplay of contact interactions, long-range dipole-dipole forces, and…
We present a new technique for cooling arbitrary charged particles in a Penning trap by utilizing self-cooled electrons stored in a separate, macroscopically distant Penning trap as the cooling medium. The electrons decay predominantly to…
The plasma-material interactions present in multiple fusion and propulsion concepts between the flow of plasma through a channel and a material wall drive the emission of secondary electrons. This emission is capable of altering the…