Related papers: Rare-gas solids under pressure: A path-integral Mo…
By employing first-principles metadynamics simulations, we explore the 300 K structures of solid hydrogen over the pressure range 150-300 GPa. At 200 GPa, we find the ambient-pressure disordered hexagonal close-packed (hcp) phase transited…
The influence of hydrostatic pressure up to P=1.05 GPa on resistivity R, excess conductivity ${\sigma}'(T)$ and pseudogap ${\Delta}*(T)$ is studied in slightly doped single crystals of YBa2Cu3O7-${\delta} (Tc=49.2 K, {\delta}~ 0.5)$. The…
The structural properties under hydrostatic pressure up to 3 GPa of the layered rare earth carbide halide superconductor Y2C2I2 are studied by neutron powder diffraction at room temperature. The compressibilities are anisotropic, such that…
The simulation of rarefied gas flow based on the Boltzmann equation is challenging, especially when the gas mixtures have disparate molecular masses. In this paper, a computationally tractable kinetic model is proposed for monatomic gas…
We present results of a simulation study of inelastic hard-disks vibrated in a vertical container. An Event-Driven Molecular Dynamics method is developed for studying the onset of convection. Varying the relevant parameters (inelasticity,…
This study examines the effects of an external gravitational field on highly rarefied gases in the transitional-flow regime near the free-molecular-flow regime. In our theoretical study, we rederive the classical kinetic theory for an ideal…
Path integral Monte Carlo (PIMC) simulations of liquid helium at negative pressure have been carried out for a temperature range from the critical temperature to below the superfluid transition. We have calculated the temperature dependence…
New hybrid Molecular Dynamics-Monte Carlo methods are proposed to increase the efficiency of constant-pressure simulations. Two variations of the isobaric Molecular Dynamics component of the algorithms are considered. In the first, we use…
Numerical Monte Carlo simulations of the diffusive shock acceleration in the test particle limit are investigated. We simulate high relativistic flow astrophysical plasmas for upstream $\gamma$ $\sim5$ and up to $\gamma$ $\sim1000$. These…
Fluctuations of conserved charges allow to study the chemical composition of hadronic matter. A comparison between lattice simulations and the Hadron Resonance Gas (HRG) model suggested the existence of missing strange resonances. To…
The quantum nature of the hydrogen lattice in superconducting hydrides can have crucial effects on the material's properties. Taking a detailed look at the dynamic stability of the recently predicted BaSiH$_8$ phase, we find that the…
We use the Direct Simulation Monte Carlo (DSMC) method combined with an n-body code to study the dynamics of the interaction between a gas-rich spiral galaxy and intracluster or intragroup medium, often known as the ram pressure scenario.…
This work is devoted to the thermodynamics of high-temperature dense hydrogen plasmas in the pressure region between $10^{-1}$ and $10^2$ Mbar. In particular we present for this region results of extensive calculations based on a recently…
The observations of non-linear rotational susceptibility (NCRI) in samples of solid He below 1-200 mK temperatures are conjectured to be describable in terms of a rarified Gross-Pitaevskii superfluid of vacancies (or, more generally,…
An event-driven molecular dynamics simulation of inelastic hard spheres contained in a cylinder and subject to strong vibration reproduces accurately experimental results[1] for a system of vibrofluidized glass beads. In particular, we are…
I give an overview of rare event simulation techniques to generate dynamical pathways across high free energy barriers. The methods on which I will concentrate are the reactive flux approach, transition path sampling, (replica-exchange)…
Few-layer $\alpha$-In$_2$Se$_3$ has been studied under pressure using Raman spectroscopy in a diamond anvil cell up to 60 GPa (at room temperature). A combination of AFM and Raman was used to estimate the thickness of the specimens. While…
The effect of rough walls on the phase behaviour of a confined liquid crystal (LC) fluid is studied using constant pressure Monte Carlo simulations. The LC is modelled as a fluid of soft ellipsoidal molecules and the rough walls are…
Monte Carlo simulations have been performed to determine the excess energy and the equation of state of fcc solids with Sutherland potentials for wide ranges of temperatures, densities and effective potential ranges. The same quantities…
We investigate the thermodynamic properties of a trappoed Bose gas of Rb atoms interacting through a repulsive potential by Quantum Monte Carlo method based upon the generalization of Feynman-Kac method[1] applicable to many body systems at…