Related papers: Thermal vacancies in close-packing solids
The Gibbs free energy is the fundamental thermodynamic potential underlying the relative stability of different states of matter under constant-pressure conditions. However, computing this quantity from atomic-scale simulations is far from…
Employing Monte-Carlo simulation techniques we investigate the statistical properties of equally charged particles confined in a one-dimensional box trap and detect a crossover from a crystalline to a cluster phase with increasing…
In certain special circumstances, such as in the vicinity of a black hole or in a uniformly accelerating frame, vacuum fluctuations appear to give rise to a finite-temperature environment. This effect, currently without experimental…
We apply the continuous variable approach to study entangled dynamics of coupled harmonic oscillators interacting with a thermal reservoir and to a deterministic creation of entanglement in an atomic ensemble located inside a high-Q ring…
This chapter begins with pure aluminium and a discussion of the form of the crystal structure and different unit cells that can be used to describe the crystal structure. Measurements of the face-centred cubic lattice parameter and thermal…
The features of alternative approach of non-equilibrium evolution thermodynamics are shown on the example of theory of vacancies by opposed to the classic prototype of Landau theory. On this foundation a strict theory of the melting of…
Experimental studies of the glassy slowdown in molecular liquids indicate that the high-temperature activation energy $E_{\infty}$ of glass-forming liquids is directly related to their glass transition temperature $T_{\text{g}}$. To further…
By introducing thermal entangled state representation which can map master equations of density operator in quantum statistics as state vector evolution equations and using dissipative interaction picture we solve the master equation of J-C…
Thermodynamics of clusterized matter is studied in the framework of statistical models with non-interacting cluster degrees of freedom. At variance with the analytical Fisher model, exact Metropolis simulation results indicate that the…
The study of isolated defects in solids is a natural target for classical or quantum embedding methods that treat the defect at a high level of theory and the rest of the solid at a lower level of theory. Here, in the context of…
We studied the thermal effects on the behavior of incommensurate solid $^4$He at low temperatures using the path integral Monte Carlo method. Below a certain temperature, depending on the density and the structure of the crystal, the…
We report a study of the phase behavior of multiple-occupancy crystals through simulation. We argue that in order to reproduce the equilibrium behavior of such crystals it is essential to treat the number of lattice sites as a constraining…
Superfluidity in the crust is a key ingredient for the cooling properties of proto-neutron stars. Present theoretical calculations employ the quasi-particle mean-field Hartree-Fock-Bogoliubov theory with temperature dependent occupation…
The temperature profile (TP) of the intracluster medium (ICM) is of primeval importance for deriving the dynamical parameters of the largest equilibrium systems known in the universe, in particular their total mass profile. Analytical…
Generating entanglement by simply cooling a system into a stationary state which is highly entangled has many advantages. Schemes based on this idea are robust against parameter fluctuations, tolerate relatively large spontaneous decay…
We propose an efficient stochastic method to implement numerically the Bogolubov approach to study finite-temperature Bose-Einstein condensates. Our method is based on the Wigner representation of the density matrix describing the non…
We study the structural and thermodynamic properties of a model of point particles interacting by means of a Gaussian pair potential first introduced by Stillinger [Stillinger F H 1976 J. Chem. Phys. 65, 3968]. By employing integral…
The hydrodynamics of crystals with vacancies is developed on the basis of local-equilibrium thermodynamics, where the chemical potential of vacancies plays a key role together with a constraint relating the concentration of vacancies to the…
At low temperatures ultrasoft particle systems develop interesting phases via the self-assembly of particle clusters. In this study we develop a general zero-temperature analysis fully characterizing the ground state of such models in two…
We studied the structural, dynamical properties and melting of a quasi-one-dimensional system of charged particles, interacting through a screened Coulomb potential. The ground state energy was calculated and, depending on the density and…