Related papers: Prediction of enthalpy for nitrogen gas revised
Employing one plus two-body random matrix ensembles for bosons, temperature and entropy are calculated, using different definitions, as a function of the two-body interaction strength \lambda for a system with 10 bosons (m=10) in five…
Atomic vibrations control all thermally activated processes in materials including diffusion, heat transport, phase transformations, and surface chemistry. Recent developments in monochromated, aberration-corrected scanning transmission…
We present classical trajectory calculations of the rotational vibrational scattering of a non-rigid methane molecule from a Ni(111) surface. Energy dissipation and scattering angles have been studied as a function of the translational…
The problem of proton-antiproton motion in the ${\rm H}$--${\rm \bar{H}}$ system is investigated by means of the variational method. We introduce a modified nuclear interaction through mass-scaling of the Born-Oppenheimer potential. This…
We calculate the excitation modes of a 1D dipolar quantum gas confined in a harmonic trap with frequency $\omega_0$ and predict how the frequency of the breathing n=2 mode characterizes the interaction strength evolving from the…
This study is designed to explore the two dimensional temperature maps of the atmospheric argon discharge consisting of pin-to-plane electrodes supplied by a high voltage DC source. After checking the stability of the micro discharge, the…
The process of deriving an interatomic potentials represents an attempt to integrate out the electronic degrees of freedom from the full quantum description of a condensed matter system. In practice it is the derivatives of the interatomic…
The Nikiforov-Uvarov polynomial method employed by Aguda to solve the Dirac equation with an improved Rosen-Morse potential plus a Coulomb-like tensor potential is shown inappropriate because the conditions of its application are not…
The entropy and kinetic, potential, and interaction energies of an atomic Fermi gas in a trap are studied under the assumption of thermal equilibrium for finite temperature. A Feshbach resonance can cause the fermions to pair into diatomic…
In this study, variations with respect to temperature of the increments of enthalpy and Gibbs energy, arising in the dissolution of proteins in water, have been investigated by the methods of statistical thermodynamics. In this formalism,…
We calculate the quantum heat generation, the interaction force and the frictional torque for two rotating spherical nanoparticles with a radius $R$. In contrast to the static case, when there is an upper limit in the radiative heat…
An algebraic model based on Lie-algebraic and discrete symmetry techniques is applied to the analysis of thermodynamic vibrational properties of molecules. The local anharmonic effects are described by a Morse-like potential and the…
The stretching and bending vibrations of methane are studied in the framework of a symmetry-adapted algebraic model. The model is based on the realization of the one-dimensional Morse potential in terms of a $U(2)$ algebra. For the 44…
A density-functional-theory based approach to efficiently compute numerically exact vibrational free energies - including anharmonicity - for chemically complex multicomponent alloys is developed. It is based on a combination of…
The theoretical approach to consideration of the Hamiltonian with pairing forces using a technique of the finite boson representation is developed. It is shown that a simultaneous description of the pairing vibrational state in $^{56}$Ni…
We report a computational study of the anharmonicity of the vibrational modes of various individual fullerenes using the "moments method" [Y. Gao and M. Daw, Modelling Simul. Mater. Sci. Eng. 23 045002 (2015)] with a Tersoff-style potential…
A kinetic model is proposed for rarefied flows of molecular gas with rotational and temperature-dependent vibrational degrees of freedom. The model reduces to the Boltzmann equation for monatomic gas when the energy exchange between the…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
We study anisotropic thermalization in dilute gases of microwave shielded polar molecular fermions. For collision energies above the threshold regime, we find that thermalization is suppressed due to a strong preference for forward…
Assuming the hypothesis of the entropic nature of gravity, we calculate generalized Newtonian forces, their associated potentials and field equations, when other, in general non-extensive, entropies are considered instead of the usual…