Related papers: Thermoelastic properties of $\alpha$-iron from fir…
This paper extends our earlier work on the acceleration of low-energy electrons by plasma turbulence to include the effects of finite temperature of the plasma. We consider the resonant interaction of thermal electrons with the whole…
In this study, an efficient first-principles approach for calculating the thermodynamic properties of mixed metal oxides at high temperatures is demonstrated. More precisely, this procedure combines density functional theory and harmonic…
Atomistic spin model simulations are immensely useful in determining temperature dependent magnetic prop- erties, but are known to give the incorrect dependence of the magnetization on temperature compared to exper- iment owing to their…
We derive a class of thermodynamically consistent variants of Maxwell/Oldroyd-B type models for viscoelastic fluids. In particular, we study the models that allow one to consider temperature dependent material coefficients. This naturally…
Thermal variation of structural property, linear thermal expansion coefficient, resistivity, thermopower and power factor of polycrystalline Bi1-xSbx (x=0.10, 0.14) samples are reported. Temperature-dependent powder diffraction experiments…
We study the phase diagram and critical properties of quantum Ising chains with long-range ferromagnetic interactions decaying in a power-law fashion with exponent $\alpha$, in regimes of direct interest for current trapped ion experiments.…
The thermodynamics of finite open antiferromagnetic XXZ chains is studied using field theory, Bethe Ansatz and quantum Monte Carlo methods. For the susceptibility a parameter-free result as a function of the number of sites L and…
The effects of electronic correlations and orbital degeneracy on thermoelectric properties are studied within the context of multi-orbital Hubbard models on different lattices. We use dynamical mean field theory with iterative perturbation…
We study the thermodynamic properties of solid and metal electrons in the nonextensive quantum statistics with a nonextensive parameter transformation. First we study the nonextensive grand canonical distribution function and the…
We develop a theory of the effective disorder temperature in glass-forming materials driven away from thermodynamic equilibrium by external forces. Our basic premise is that the slow configurational degrees of freedom of such materials are…
We devise automated workflows for the calculation of Helmholtz and Gibbs free energies and their temperature and pressure dependence and provide the corresponding computational tools. We employ non-equilibrium thermodynamics for evaluating…
One considers linearly thermoelastic composite media, which consist of a homogeneous matrix containing a statistically homogeneous random set of ellipsoidal uncoated or coated inclusions. Effective properties (such as compliance and thermal…
A simple and effective approach to thermodynamics is suggested, which solves the major difficulties in the traditional presentation of the subject. The internal energy is introduced from the behavior of deformable bodies, whereas the…
An analytical solution has been developed clarifying that the thermally driven elastic softening of crystals can be directly related to the length and strength of the representative bonds of the crystal and to the response of the bonding…
First-principles calculation has led to significant discoveries in materials science. Half heusler (HH) alloys, which are potential thermoelectric materials have demonstrated significant improvements in thermoelectric performance owing to…
A new result enables direct calculation of thermoelastic damping in vibrating elastic solids. The mechanism for energy loss is thermal diffusion caused by inhomogeneous deformation, flexure in thin plates. The general result is combined…
We propose a general formula for the melting temperature of metals in terms of electronic mass, electronic number, and nearest-neighbor lattice distance. We derive it from the instability of the transverse phonon in the solid phase, using…
We analyze the mathematical structure of equations for temperature Tc of the superconductivity transition in a gas of interacting Fermi particles or at the phonon-mediated pairing in a metal in case of non-adiabatic conditions, i. e., when…
The intermetallic Mn-phase, which precipitates in steels and superalloys, can noticeably soften the mechanical properties of their matrix. Despite the importance of developing superalloys and steels, the thermodynamic properties and…
The free energy of barium titanate is computed around the Curie temperature as a function of polarization from the first-principles derived effective hamiltonian of Zhong, Vanderbilt and Rabe [Phys. Rev. Lett. 73, 1861 (1994)], through…