相关论文: An analytic model of the Gruneisen parameter at al…
Ab initio calculations based on the Density Functional Theory are used to show that the Debye frequency is a linear function of density to a high accuracy for several elemental solids at pressures (at least) up to 360 GPa. This implies that…
In the framework of melting as a dislocation-mediated phase transition we derive an equation for the pressure dependence of the melting temperatures of the elements valid up to pressures of order their ambient bulk moduli. Melting curves…
We numerically study thermodynamic and structural properties of the one-component Gaussian core model (GCM) at very high densities. The solid-fluid phase boundary is carefully determined. We find that the density dependence of both the…
An analytic model of the shear modulus applicable at temperatures up to melt and at all densities is presented. It is based in part on a relation between the melting temperature and the shear modulus at melt. Experimental data on argon are…
The melting curve of aluminium has been determined from 0 to ~150 GPa using first principles calculations of the free energies of both the solid and liquid. The calculations are based on density functional theory within the generalised…
We calculate the density dependence of the $\rho$-meson mass and coupling constant($g_{\rho NN}$) for $\rho$-nucleon-nucleon vertex at one loop using the lagrangian where the $\rho$-meson is included as a dynamical gauge boson of a hidden…
The basic observed cohesive properties of alpha-Pu like temperature variation of elastic moduli, large value of the pressure derivative of the bulk modulus and anomalous values of the Gruneisen parameter in literature are not yet completely…
A new formula that relates the electron density at the nucleus of atoms,rho(0,Z), and the atomic number,Z, is proposed. This formula,rho(0,Z)=a(Z-bZ^(0.5))^3, contains two unknown parameters (a,b) that are derived using a least square…
Using a realistic model, the mode Gruneisen parameters and the temperature dependent coefficient of linear thermal expansion are calculated for amorphous silicon. The resulting values of the Gruneisen parameters differ from the crystalline…
Iron represents the principal constituent of the Earth's core, but its high-pressure melting diagram remains ambiguous. Here we present a simple analytical approach to predict the melting properties of iron under deep-Earth conditions. In…
Using two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium in the regime of warm dense matter, with densities ranging…
In this work we derive a formalism to incorporate asymmetry and temperature effects in the Brown-Rho (BR) scaled lagrangian model in a mean field theory. The lagrangian density discussed in this work requires less parameters than the usual…
The density-functional theory (DFT) and density-functional perturbation theory (DFPT) are employed to study the pressure dependence of elastic and dynamical properties of zinc-blende ZnS and ZnSe. The calculated elastic constants and phonon…
In this paper, we present a new calculation of composition-dependent radiative cooling and heating curves of low-density gas, intended primarily for use in numerical simulations of galaxy formation and evolution. These curves depend on only…
We consider a discrete model of a graphene sheet with atomic interactions governed by a harmonic approximation of the 2nd-generation Brenner potential that depends on bond lengths, bond angles, and two types of dihedral angles. A continuum…
The Gr\"uneisen parameter, experimentally determined from the ratio of thermal expansion to specific heat, quantifies the pressure dependence of characteristic energy scales of matter. It is highly enhanced for Kondo lattice systems, whose…
The density dependence of the symmetry energy in the equation of state of isospin asymmetric nuclear matter is studied using the isoscaling of the fragment yields and the antisymmetrized molecular dynamic calculation. It is observed that…
We study the N-dependence of the thermodynamical variables and the dynamical behavior of the well-known Hamiltonian Mean Field model. Microcanonical analysis revealed a thermodynamic limit which defers from the a priory traditional…
The effective potential approach for composite operators has been generalized to non-zero temperatures in order to derive equation of state for the pure SU(3) Yang-Mills fields from first principles. In the absence of external sources it is…
In this work, the elastic and thermodynamic properties of Pt$_{3}$Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at…