Related papers: Finite-temperature surface elasticity of crystalli…
We investigate the contributions of finite-temperature magnetic fluctuations to the thermodynamic properties of bcc Fe as a function of pressure. First, we apply a tight-binding total-energy model parameterized to first-principles…
The Casimir-Polder-Lifshitz force felt by an atom near the surface of a substrate is calculated out of thermal equilibrium in terms of the dielectric function of the material and of the atomic polarizability. The new force decays like…
We present a theoretical and computational model for the behavior of a porous solid undergoing two interdependent processes, the finite deformation of a solid and species migration through the solid, which are distinct in bulk and on…
We consider the atomistic origin and the main mechanisms determining the energy of a liquid interface after relaxation. A simple theory is constructed for the monatomic densely packed liquids that allows calculation of the surface tension…
To study temperature dependent elastic constants, a new computational method is proposed by combining continuum elasticity theory and first principles calculations. A Gibbs free energy function with one variable with respect to strain at…
Thermal effects for inelastic neutrino-nucleus scattering off even-even nuclei in the iron region are studied. Allowed and first-forbidden contributions to the cross sections are calculated within the quasiparticle random phase…
A mean field theory is developed for the calculation of the surface free energy of the staggered BCSOS, (or six vertex) model as function of the surface orientation and of temperature. The model approximately describes surfaces of crystals…
Dependence of frequency spectra of the lattice oscillations of organic nano-crystals on temperature is studied at presence of vacancies in structure. In a frequency spectrum a number of additional lines monotonously changing with…
Surface energies for different GaAs surface orientations have been calculated as a function of the chemical potential. We use an energy density formalism within the first-principles pseudopotential density-functional approach. The…
It is a long-time pursuit of computations with \emph{ab initio} precision of thermal contributions to phase behaviors of condensed matters under extreme conditions. In this work, the pressure induced structural phase transitions of…
We investigate the role of surface plasmons in the electromagnetic Casimir effect at finite temperature, including situations out of global thermal equilibrium. The free energy is calculated analytically and expanded for different regimes…
We study critical surfaces for a surface energy which contains the squared $L^2$ norm of the difference of the mean curvature $H$ and the spontaneous curvature $c_o$, coupled to the elastic energy of the boundary curve. We investigate the…
Any interface boundary in an equilibrium system of Coulomb particles is accompanied by the existence of a finite difference in the average electrostatic potential through this boundary. The discussed interface potential drop is a…
Although free electron models have been established in order to capture the essential physics of interfacial and bulk properties in metals, some issues still remain regarding the application of free electron models to thin metal films. One…
We report the bulk and surface properties of lithium computed within a full potential LCGTO formalism using both density functional theory and the Hartree-Fock approximation. We examine the convergence of computed properties with respect to…
QCD at finite temperature and density is becoming increasingly important for various experimental programmes, ranging from heavy ion physics to astro-particle physics. The non-perturbative nature of non-abelian quantum field theories at…
This paper compiles the model parameters and zero-temperature properties of an extensive collection of published theoretical nuclear interactions, including 255 non-relativistic (Skyrme-like) forces, 270 relativistic mean field (RMF) and…
A detailed formulation for the effects of the surface integrity, i.e. surface topography, surface metallurgy, and surface mechanical properties, on the mechanics of ultra-thin films is proposed in the framework of linear elasticity. In this…
Atom probe tomography data is composed of a list of coordinates of the reconstructed atoms in the probed volume. The elemental identity of each atom is derived from time-of-flight mass spectrometry, with no local energetic or chemical…
We demonstrate the continuous translational invariance of the energy of a capillary surface in contact with reconfigurable solid boundaries. We present a theoretical approach to find the energy-invariant equilibria of spherical capillary…