Related papers: Influence of electronic entropy on Hellmann-Feynma…
The diluted Ising antiferromagnet, Fe_{0.31}Zn_{0.69}F_{2}, has been investigated by dynamic susceptibility measurements in zero and and finite applied dc-fields. In zero field, there is a para- to antiferromagnetic phase transition at…
The observed temperature dependence of electrical conduction in polymer electrolytes is usually fitted with two separated equations: an Arrhenius equation at low temperatures and Vogel-Tamman-Fulcher (VTF) at high temperatures. We report…
We investigate the microscopic mechanism of the thermally induced ambient pressure ordered-disordered phase transitions of two zeolitic imidazolate frameworks of formula Zn(C$_3$H$_3$N$_2$)$_2$: a porous (ZIF-4) and a dense, non-porous…
We introduce a numerical workflow to model and simulate transient close-contact melting processes based on the space-time finite element method. That is, we aim at computing the velocity at which a forced heat source melts through a…
The predictive modeling of lattice thermal conductivity is of fundamental importance for the understanding and design of materials for a wide range of applications. Two major approaches, namely molecular dynamics (MD) simulations and…
We discuss inherent thermometry in a Superconductor - Normal metal - Superconductor tunnel junction. In this configuration, the energy selectivity of single-particle tunneling can provide a significant electron cooling, depending on the…
Parallel tempering Monte Carlo simulations have been applied to a variety of systems presenting rugged free-energy landscapes. Despite this, its efficiency depends strongly on the temperature set. With this query in mind, we present a…
Ultrafast laser excitation can induce fast increases of the electronic subsystem temperature. The subsequent electronic evolutions in terms of band structure and energy distribution can determine the change of several thermodynamic…
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…
We present a new approach for the two-temperature molecular dynamics (MD) model for coupled simulations of electronic and phonon heat conduction in nanoscale systems. The proposed method uses a master equation to perform heat conduction of…
In the recent work Fletcher et al. [Phys. Rev. Lett., v.99, p.145001 (2007)] reported on the novel experimental technique, enabling to measure the temperature of the expanding ultracold plasmas over a considerable time interval (up to 60-70…
A novel method to determine the density and temperature of a system is proposed based on quantum fluctuations typical of Fermions in the limit where the reached temperature T is small compared to the Fermi energy $\epsilon_f$ at a given…
We investigate the enhancement of the Kondo effect in quantum dots with an even number of electrons, using a scaling method and a mean field theory. We evaluate the Kondo temperature $T_K$ as a function of the energy difference between…
Nonequilibrium dynamics governed by electron-phonon (e-ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials. The real-time Boltzmann transport…
We address the problem of overheating of electrons trapped on the liquid helium surface by cyclotron resonance excitation. Previous experiments, suggest that electrons can be heated to temperatures up to 1000K more than three order of…
The temperature dependence of thermodynamic and mechanical properties of six fcc transition metals (Ni, Cu, Ag, Au, Pt, Rh) and the alloying behavior of Ag-Au and Cu-Ni are studied using molecular dynamics (MD). The structures are described…
Thermal cooling mechanisms of human exposed to electromagnetic (EM) radiation are studied in detail. The electromagnetic and thermal co-simulation method is utilized to calculate the electromagnetic and temperature distributions. Moreover,…
A low pressure discharge sustained in molecular hydrogen with help of the electron cyclotron resonance heating at a frequency of 2.45 GHz is simulated using a fully electromagnetic implicit charge- and energy-conserving…
This paper describes the effects of electronic nonequilibrium in a simulation of ultrafast laser irradiation of materials. The simulation scheme based on tight-binding molecular dynamics, in which the electronic populations are traced with…
We investigate the temperature region in which a Tomonaga-Luttinger liquid (TLL) description of the charge sector of the one-dimensional Hubbard model is valid. By using the thermodynamic Bethe ansatz method, electron number is calculated…