Related papers: Rare-gas solids under pressure: A path-integral Mo…
In this paper we present a numerical scheme to simulate a moving rigid body with arbitrary shape suspended in a rarefied gas. The rarefied gas is simulated by solving the Boltzmann equation using a DSMC particle method. The motion of the…
Irradiation from the central star controls the temperature structure in protoplanetary discs. Yet simulations of gravitational instability typically use models of stellar irradiation with varying complexity, or ignore it altogether,…
Graphite, as a well-known carbon-based solid, is a paradigmatic example of the so-called van der Waals layered materials, which display a large anisotropy in their physical properties. Here we study quantum effects in structural and elastic…
Two methods are proposed to evaluate the second-order elastic constants of quantum mechanically treated solids. One method is based on path-integral simulations in the (NVT) ensemble using an estimator for elastic constants. The other…
We perform constant pressure Monte Carlo simulations of a spin-analogous model which describes coupled spatial and magnetic degrees of freedom on an fcc lattice. Our calculations qualitatively reproduce magnetovolume effects observed in…
We examine the dynamics associated with weakly compressible convection in a spherical shell by running 3D direct numerical simulations using the Boussinesq formalism [1]. Motivated by problems in astrophysics, we assume the existence of a…
We systematically investigate the influence of high pressure on the electronic transport properties of layered ferromagnetic materials, in particular, those of Fe$_3$GeTe$_2$. Its crystal sustains a hexagonal phase under high pressures up…
We have developed a Monte Carlo simulation describing the $2 \rightarrow 2$ scatterings of perturbatively produced, non-eikonally propagating high-energy partons with the quarks and gluons of the expanding QCD medium created in…
The structure of La$_{1-x}$Ca$_{x}$MnO$_{3}$ solid solutions (x=0, 0.25, 0.50, 0.67, 1) under high pressure (up to 40-45 GPa) has been investigated by synchrotron X-ray powder diffraction (XRD) in order to characterize their volume…
Experimental studies established that calcium undergoes several counterintuitive transitions under pressure: fcc \rightarrow bcc \rightarrow simple cubic \rightarrow Ca-IV \rightarrow Ca-V, and becomes a good superconductor in the simple…
We implement a standard Monte Carlo algorithm to study the slow, equilibrium dynamics of a silica melt in a wide temperature regime, from 6100 K down to 2750 K. We find that the average dynamical behaviour of the system is in quantitative…
We use molecular dynamics simulation results on viscous binary Lennard-Jones mixtures to examine the correlation between the potential energy and the virial. In accord with a recent proposal [U. R. Pedersen et. al. Phys. Rev. Lett. 100,…
We report simultaneous hydrostatic pressure studies on the critical temperature $T_c$ and on the pseudogap temperature $T^*$ performed through resistivity measurements on an optimally doped high-$T_c$ oxide…
The equilibrium configurations of slowly rotating anisotropic self-gravitating fluids are computed using the extended Hartle structure equations, including anisotropic effects, derived in our previous paper. We focus on the so-called…
The metal-based noble gas compounds exhibit interesting behavior of electronic valence states under pressure. For example, Xe upon compression can gain electrons from the alkali metal, or lose electrons unexpectedly to Fe and Ni, toward…
Galaxy clusters are the endpoints of structure formation and are continuously growing through the merging and accretion of smaller structures. Numerical simulations predict that a fraction of their energy content is not yet thermalized,…
Configurations of the molecules on the wall of a vacancy, formed by removing a central and its first and second nearest-neighbor (NN) molecules in solid CO2 with the Pa3 structure, were calculated by the Monte Carlo simulation technique at…
We have studied solid hydrogen up to pressures of 300 GPa and temperatures of 350 K using density functional theory methods and have found "mixed structures" that are more stable than those predicted earlier. Mixed structures consist of…
Materials with spin-crossover (SCO) properties hold great potentials in information storage and therefore have received a lot of concerns in the recent decades. The hysteresis phenomena accompanying SCO is attributed to the intermolecular…
Linear stability of an isothermal, pressure-bounded, self-gravitating gas slab which is gravitationally coupled with the background weakly interacting massive particles (WIMPs) is investigated. Analytic dispersion relations describing such…