Related papers: Thermodynamics of Na_8 and Na_{20} clusters studie…
The mean field type approach based on the self-consistent consideration of an effective field created by electron transfer is developed for a description of thermodynamics of the Hubbard type models with an infinitely large on-site…
Understanding heat transfer characteristics of phase change and enhancing thermal energy transport in nanoscale are of great interest in both theoretical and practical applications. In the present study, we investigated the nanoscale…
An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…
Potential applications of quantum dots in the nanotechnology industry make these systems an important field of study in various areas of physics. In particular, thermodynamics has a significant role in technological innovations. With this…
We report results of specific heat measurements on polycrystalline samples of the layered superconductor, Na(0.3)CoO(2).1.3H(2)O. The electronic contribution to the specific heat, gamma, is found to be 12.2 mJ/mol-K2. The feature at the…
In recent experiments on sodium chloride clusters structural transitions between nanocrystals with different cuboidal shapes were detected. Here we presents results for the thermodynamics and dynamics of one of these clusters, (NaCl)35Cl-.…
We investigate nuclear matter at finite temperature and density, including the formation of light clusters up to the alpha particle The novel feature of this work is to include the formation of clusters as well as their dissolution due to…
Several models of thermionic energy nanoconverters have been proposed to study the transport phenomena that take place in electronic devices. For example, in resonant tunneling junctions those phenomena are manifested through the…
In this work, the melting phase transitions of $Fe_{n}$ nanoclusters with $10 \leq n \leq 100$ atoms are investigated using classical many-body molecular dynamics simulations. For many cluster sizes, surface melting occurs at much lower…
Molecular dynamics simulation is employed to understand the thermodynamic behavior of cuboctahedron (cub) and icosahedron (ico) nanoparticles with 2-20 number of full shells. The original embedded atom method (EAM) was compared to the more…
Using the merger of local density approximation and dynamical mean field theory, we show how electronic correlations increase the thermopower of Na$_{0.7}$CoO$_2$ by 200%. The newly revealed mechanism is an asymmetric shift of (quasi)…
We model and evaluate the Peltier and Seebeck effects in magnetic multilayer nanostructures by a finite-element theory of thermoelectric properties. We present analytical expressions for the thermopower and the current-induced temperature…
This paper is devoted to semiclassical molecular dynamics simulation of nondegenerate hydrogen plasma using an improved Kelbg pseudopotential. The main novelty of our method is accounting for the finite size of electrons. This modification…
We present a general study of frequency and magnetic field dependence of the specific heat power produced during field-driven hysteresis cycles in magnetic nanoparticles with relevance to hyperthermia applications in biomedicine. Employing…
We provide the theoretical basis of calorimetry for a class of active particles subject to thermal noise. Simulating AC-calorimetry, we numerically evaluate the heat capacity of run-and-tumble particles in double-well and in periodic…
We develop ion-ion pair potentials for Al, Na and K for densities and temperatures relevant to the warm-dense-matter (WDM) regime. Furthermore, we emphasize non-equilibrium states where the ion temperature $T_i$ differs from the electron…
Nanoscale conductors are interesting for thermoelectrics because of their particular spectral features connecting separated heat and particle currents. Multiterminal devices in the quantum regime benefit from phase-coherent phenomena, which…
Quantum materials display exotic behaviours related to the interplay between temperature-driven phase transitions. Here, we study electron dynamics in one such material, CaFe2As2, a parent Fe-based superconductor, employing time and…
The equations of state at room temperature as well as the energies of crystal structures up to pressures exceeding 100 GPa are calculated for Na and K . It is shown that the allowance for generalized gradient corrections (GGA) in the…
The low thermal conductivity of silicon nanostructures, with respect to bulk silicon, opens excellent possibilities for thermoelectric applications because it will enable the use of silicon for the high efficient direct conversion of wasted…