相关论文: Ab initio study of shock compressed oxygen
Statistical mechanics can provide a versatile theoretical framework for investigating the collective dynamics of weakly nonlinear waves-settings that can be utterly complex to describe otherwise. In optics, composite systems arise due to…
The physical mechanisms behind the reduction of the bulk modulus of a high-pressure cubic TiO2 phase are confirmed by first-principles calculations. An unusual and abrupt change occurs in the dependence of energy on pressure at 43 GPa,…
All-atom molecular dynamics simulations of an elastohydrodynamic lubrication oil film are performed to study the effect of pressure. Fluid molecules of n-hexane are confined between two solid plates under a constant normal force of 0.1--8.0…
Principal Hugoniot and K-shell X-ray absorption spectra of warm dense KCl are calculated using the first-principles molecular dynamics method. Evolution of electronic structures as well as the influence of the approximate description of…
This paper deals with the analytic derivation of a complete equation of state (EOS) for solids from shock-wave data in the range of pressures and temperatures, attained by detonation of chemical explosives. The caloric, the thermal and the…
The question is raised about the pressure effects on the polarizability and dispersive binding in ionic and molecular systems. As an example we take the effect of hydrostatic pressure on the energy gap of phonon-coupled two-level systems.…
Low-energy excitations play a key role in all condensed-matter systems, yet there is limited understanding of their nature in glasses, where they correspond to local rearrangements of groups of particles. Here we introduce an algorithm to…
We investigate a scenario where conditions for Mott dissociation of charmonium are fulfilled locally in ultrarelativistic heavy ion collisions at the short time scales before hadronization and study possible consequences to be drawn from…
We study the hydrogen atom confined to a spherical box with impenetrable walls but, unlike earlier pedagogical articles on the subject, we assume that the nucleus also moves. We obtain the ground-state energy approximately by means of…
We examine the molecular-atomic transition in liquid hydrogen as it relates to metallization. Pair potentials are obtained from first principles molecular dynamics and compared with potentials derived from quadratic response. The results…
The computational and theoretical analysis carried out in this article demonstrates the existence of a nontrivial mechanism for the compression of a submicron-sized gas bubble formed by a gas of classical ions and a gas of degenerate…
We present computational results and tables of the equation-of-state, thermodynamic properties, and shock Hugoniot for hot dense fluid deuterium. The present results are generated using a recently developed chemical model that takes into…
Incorporating for the first time both the spin and isospin degrees of freedom explicitly in transport model simulations of intermediate-energy heavy-ion collisions, we observe that a local spin polarization appears during collision process.…
Within the lowest-order Born approximation, we present an exact calculation of the time dynamics of the spin-boson model in the Ohmic regime. We observe non-Markovian effects at zero temperature that scale with the system-bath coupling…
The structural and dynamic properties of silica melts under high pressure are studied using molecular dynamics (MD) computer simulation. The interactions between the ions are modeled by a pairwise-additive potential, the so-called CHIK…
We have developed a method to simulate behavior of nanoporous materials in a molecular dynamics code. The nanoporous solid is produced via a spinodal decomposition of a material brought from a supercritical fluid into the two phase…
Electron motion in an oblique shock wave is studied by means of a one-dimensional, relativistic, electromagnetic, particle simulation code with full ion and electron dynamics. It is found that an oblique shock can produce electrons with…
The behavior of metals at high pressure is of great importance to the fields of shock physics, geophysics, astrophysics, and nuclear materials. In order to further understand the properties of metals at high pressures we studied the…
A mixed classical-quantum density functional theory is used to calculate pair correlations and the free energy of a spin-polarized Hydrogen plasma. A transition to an atomic insulator phase is estimated to occur around r_s=2.5 at T=10^4K,…
A structural transformation in water upon compression was recently observed at the temperature $T=277$~K in the vicinity of the pressure $p \approx 2\;000$~Atm [R.M. Khusnutdinoff, A.V. Mokshin, J. Non-Cryst. Solids \textbf{357}, 1677…