相关论文: A phenomenological model for interstitial hydrogen…
Niobium does not show any structure transition up to very high pressures. Nonetheless, by using density functional theory, we demonstrate in this work that it exhibits striking softening in elastic moduli C44 and C' at a pressure from 20 to…
Several dissociated and two non-dissociated adsorption structures of the phenol molecule on the Si(001)-(2 \times 1) surface are studied using density functional theory with various exchange and correlation functionals. The relaxed…
An electrodynamic response of graphene to a strong electromagnetic radiation is considered. A hot electron model (HEM) is introduced and a corresponding system of nonlinear equations is formulated. Solutions of this system are found and…
Aims. The main objective of this article is to provide a simple physical framework with permits a quantitative comparison of measurements of the temperature fluctuations in the ionized interstellar medium with possible mechanisms which can…
In this contribution, we present a systematic study of the performance of two known types of compressible generalization of the incompressible neo-Hookean material model. The first type of generalization is based on the development of…
We calculate parity nonconserving observables in the processes where a neutron is captured on a proton at the threshold energy radiating a photon. Various potential models such as Paris, Bonn and Argonne $v18$ are used for the strong…
We have performed a multi-species hydrodynamical simulation of the formation and evolution of Lyman alpha clouds in a flat CDM dominated universe with an external flux of ionizing radiation. We solve the fully coupled non-equilibrium rate…
Warm absorbers and related phenomena are one of the observable manifestations of outflows or winds from active galactic nuclei (AGN). Warm absorbers are common in low luminosity AGN, they have been extensively studied observationally, and…
In this paper we derive an equation of state for liquid cesium based on a suggested potential function in accord to the characteristics large attraction and soft repulsion at the asymptotes of interaction potentials. By considering the…
We present a new approach to measure the power-law temperature density relationship $T=T_0 (\rho / \bar{\rho})^{\gamma -1}$ and the UV background photoionization rate $\Gamma_{\rm HI}$ of the IGM based on the Voigt profile decomposition of…
Surface adsorption is one of the fundamental processes in numerous fields, including catalysis, environment, energy and medicine. The development of an adsorption model which provides an effective prediction of binding energy in minutes has…
Application of hydrodynamics for modeling of heavy-ion collisions is reviewed. We consider several physical observables that can be calculated in this approach and compare them to the experimental measurements.
We study the thermodynamic properties of a partially ionized hydrogen plasma in strong magnetic fields, B ~ 10^{12}-10^{13} G, typical of neutron stars. The properties of the plasma depend significantly on the quantum-mechanical sizes and…
We have investigated the simultaneous absorption of near-infrared photons by pairs of neighboring molecules in liquid methanol. Simultaneous absorption by two OH-stretching modes is found to occur at an energy higher than the sum of the two…
We present a theoretical study of the phase diagram and the structure of a fluid adsorbed in high-porosity aerogels by means of an integral-equation approach combined with the replica formalism. To simulate a realistic gel environment, we…
The study of the formation of molecular hydrogen on low temperature surfaces is of interest both because it allows to explore elementary steps in the heterogeneous catalysis of a simple molecule and because of the applications in…
We present a method for modelling star-forming clouds that combines two different models of the thermal evolution of the interstellar medium (ISM). In the combined model, where the densities are low enough that at least some part of the…
Computational identification of unknown adsorption and desorption rates is discussed in conjunction with reactive flow considered at pore scale. The reactive transport is governed by incompressible Stokes equations, coupled with…
We develop a thermodynamic framework for modeling innovation adoption and abandonment dynamics using statistical mechanics. Starting from a mathematical model for an adoption distribution that fits empirically obtained date, we construct a…
The equilibrium properties of particles adsorption is investigated theoretically. The model relies on a free energy formulation which allows to generalize the Maxwell-Boltzmann description to solutions for which the bulk volume fraction of…