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We have applied the many-body ab-initio diffusion quantum Monte Carlo (DMC) method to study Zn and ZnO crystals under pressure, and the energetics of the oxygen vacancy, zinc interstitial and hydrogen impurities in ZnO. We show that DMC is…
We present a study of spin-unpolarized and spin-polarized two-dimensional uniform electron liquids using variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrow-backflow trial wave functions. Ground-state VMC…
A novel multiscale numerical method is developed to accelerate direct simulation Monte Carlo (DSMC) simulations for polyatomic gases with internal energy. This approach applies the general synthetic iterative scheme to stochastic…
Amorphous solids exhibit an excess of low-frequency vibrational modes beyond the Debye prediction, contributing to their anomalous mechanical and thermal properties. Although a $\omega^4$ power-law scaling is often proposed for the…
We describe a hybrid Direct Simulation Monte Carlo (DSMC) code for simultaneously solving the collisional Boltzmann equation for gas and the collisionless Boltzmann equation for stars and dark matter for problems important to galaxy…
A plasma rotating spoke in a crossed field discharge is studied using 2D radial-azimuthal fully kinetic Particle-In-Cell Monte Carlo Collision (PIC/MCC) simulations. The kinetic model reveals the whole perturbation spectrum of the gradient…
We analyze the linear stability of a stalled accretion shock in a perfect gas with a parametrized cooling function L ~ rho^{beta-alpha} P^alpha. The instability is dominated by the l=1 mode if the shock radius exceeds 2-3 times the accretor…
A new type of instability - electrokinetic instability - and an unusual transition to chaotic motion near a charge-selective surface was studied by numerical integration of the Nernst-Planck-Poisson-Stokes system and a weakly nonlinear…
We present results from a Monte Carlo simulation of a parallel collisionless shock undergoing particle acceleration. Our simulation, which contains parameterized scattering and a particular thermal leakage injection model, calculates the…
C-type shocks are believed to be ubiquitous in turbulent molecular clouds thanks to ambipolar diffusion. We investigate whether the drag instability in 1D isothermal C-shocks, inferred from the local linear theory of Gu & Chen, can appear…
Intermittency in MHD turbulence has been analyzed using high resolution 2D numerical simulations. We show that the Probability Distribution Functions (PDFs) of the fluctuations of the Elsasser fields, magnetic field and velocity field…
Increasing shares of fluctuating renewable energy sources induce higher and higher power flow variability at the transmission level. The question arises as to what extent existing networks can absorb additional fluctuating power injection…
We use the Multi Level Monte Carlo method to estimate uncertainties in a Henry-like salt water intrusion problem with a fracture. The flow is induced by the variation of the density of the fluid phase, which depends on the mass fraction of…
We present results from a fully relativistic Monte Carlo simulation of diffusive shock acceleration (DSA) in unmodified shocks. The computer code uses a single algorithmic sequence to smoothly span the range from nonrelativistic speeds to…
A low diffusion version of the HLL-CPS scheme for resolving the shear layers and the flow features at low Mach numbers is presented here. The low diffusion HLL-CPS scheme is obtained by reconstructing the velocities at the cell interface…
Nonrelativistic electrostatic unmagnetized shocks are frequently observed in laboratory plasmas and they are likely to exist in astrophysical plasmas. Their maximum speed, expressed in units of the ion acoustic speed far upstream of the…
Microinstabilities play important roles in both entropy generation and particle acceleration in collisionless shocks. Recent studies have suggested that in the transition zone of quasi-perpendicular ($Q_{\perp}$) shocks in the high-beta…
The flow past a bullet-shaped blunt body moving in a pipe is investigated through global linear stability analysis (LSA) and direct numerical simulation (DNS). A cartography of the bifurcation curves is provided thanks to LSA, covering the…
We study density fluctuations in supersonic turbulence using both theoretical methods and numerical simulations. A theoretical formulation is developed for the probability distribution function (PDF) of the density at steady state,…
We investigate the nonequilibrium behavior of a one-dimensional binary fluid on the basis of Boltzmann equation, using an infinitely strong shock wave as probe. Density, velocity and temperature profiles are obtained as a function of the…