Related papers: Extended Debye Model for Molecular Magnets
Density matrix embedding theory (DMET) provides a framework to describe ground-state expectation values in strongly correlated systems, but its extension to dynamical quantities is still an open problem. We show one route to obtaining…
The elastic, thermodynamic, electronic, and optical properties of recently discovered and potentially technologically important transition metal boride NbRuB, have been investigated using the density functional formalism. Both generalized…
A finite-temperature many-body perturbation theory is presented that expands in power series the electronic grand potential, chemical potential, internal energy, and entropy on an equal footing. Sum-over-states and sum-over-orbitals…
In this paper, the discrete parameter expansion is adopted to investigate the estimation of heat kernel for Euler-Maruyama scheme of SDEs driven by {\alpha}-stable noise, which implies krylov's estimate and khasminskii's estimate. As an…
Mn-doped GaAs thin films were grown at a high substrate temperature of 580 C. During the growth process, the Mn cell temperature was ramped at different rates, resulting in a variety of different Mn concentration depth profile slopes, as…
In this work, temperature dependence on the masses of conventional and hybrid heavy quarkonium systems is investigated. For this, a thermally screened interaction is incorporated through Debye mass $(m_{D}(T))$ into the potential models of…
An exact macroscopic extended model for ultrarelativistic gases, with an arbitrary number of moments, is present in the literature. Here we exploit equations determining wave speeds for that model. We find interesting results; for example,…
We report the evolution of structural and magnetic properties in La2O3(Fe1-xMnx)2Se2. Heat capacity and bulk magnetization indicate an increased ferromagnetic component of the long-range magnetic order and possible increased degree of…
Third harmonic cavities have been designed and fabricated by FNAL to be used at the FLASH/XFEL facility at DESY to minimise the energy spread along the bunches. Modes in these cavities are analysed and the sensitivity to frequency errors…
We present Mode(Multi-Objective adaptive Data Efficiency), a framework that dynamically combines coreset selection strategies based on their evolving contribution to model performance. Unlike static methods, \mode adapts selection criteria…
A simple two-band model with interband scattering of intraband pairs is applied to MgB$_2$ superconductivity. An adjustable parameters set is chosen. The calculated $T_c$ vs doping, isotope exponent and the heat capacity jump are in…
In recent years, a revised set of solar abundances has led to a discrepancy in the sound-speed profile between helioseismology and theoretical solar models. Conventional solutions require additional mechanisms for energy transport within…
An instrument has been constructed to measure a large range of magnetostriction and thermal expansion between room temperature and 4 K in a superconductive split-coil magnet, that allows investigation in magnetic fields up to 12 T. The very…
Thermodynamic description of a model system with magnetoelastic coupling is presented. The elastic, vibrational, electronic and magnetic energy contributions are taken into account. The long-range RKKY interaction is considered together…
We propose a new approach to model electrical machines based on energy considerations and construction symmetries of the motor. We detail the approach on the Permanent-Magnet Synchronous Motor and show that it can be extended to Synchronous…
An analytical model of high frequency oscillations of the kinetic and potential energies in a one-dimensional harmonic crystal with a substrate potential is obtained by introducing the nonlocal energies [1]. A generalization of the kinetic…
We derive a static potential for a heavy quark-antiquark pair propagating in Minkowski time at finite temperature, by defining a suitable gauge-invariant Green's function and computing it to first non-trivial order in Hard Thermal Loop…
Laser irradiation of materials is most commonly modeled with the two-temperature model (TTM), or its combination with molecular dynamics, TTM-MD. For such modeling, the electronic transport coefficients are required. Here, we calculate the…
The decaying vacuum model (DV), treating dark energy as a varying vacuum, has been studied well recently. The vacuum energy decays linearly with the Hubble parameter in the late-times, $\rho_\Lambda(t) \propto H(t)$, and produces the…
Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at the nanoscale. Here we extend the theoretical framework of…