相关论文: Quasi Harmonic Lattice Dynamics and Molecular Dyna…

What lattice Lennard-Jones (LJ) solid favors, the lattice identification of simulated system and the microstructures of liquid and non-crystalline solid are three important questions in condensed physics and material science and are…

Molecular Dynamic (MD) approach is applied to study the converging cylindrical shock waves in a dense Lennard-Jones (LJ) fluid. MD method is based on tracking of the atom motions and hence it has an fundamental advantages over hydrodynamic…

We report molecular dynamics calculations on two-component, cold (1.2 > T > 0.56 in natural units), three-dimensional Lennard-Jones fluids. Our system was small (7813 A, 7812 B particles), dense (N/V = 1.30), and distinctly finite (L \times…

Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a…

We present results of lattice dynamics calculations of Poisson's ratio (PR) for solid hydrogen and rare gas solids (He, Ne, Ar, Kr and Xe) under pressure. Using two complementary approaches - the semi-empirical many-body calculations and…

Quantum Chromodynamics and Quantum Electrodynamics, both renormalizable quantum field theories with a small number of precisely constrained input parameters, dominate the dynamics of the quarks and gluons - the underlying building blocks of…

A kinetic Monte Carlo (KMC) method is used to study the structural properties and dynamics of a supercooled binary Lennard-Jones liquid around the glass transition temperature. This technique permits us to explore the potential energy…

Rare-gas solids (Ne, Ar, Kr, and Xe) under hydrostatic pressure up to 30 kbar have been studied by path-integral Monte Carlo simulations in the isothermal-isobaric ensemble. Results of these simulations have been compared with available…

We propose a novel quasiparticle interpretation of the equation of state of deconfined QCD at finite temperature. Using appropriate thermal masses, we introduce a phenomenological parametrization of the onset of confinement in the vicinity…

We report on the calculation of the ground-state atomic kinetic energy, $E_{k}$, and momentum distribution of solid Ne by means of the diffusion Monte Carlo method and Aziz HFD-B pair potential. This approach is shown to perform notably for…

Reduced magnetohydrodynamic (MHD) equations are used to study the nonlinear dynamics of external kinks in a quasi-axisymmetric (QA) stellarator with varying fractions of external rotational transform. The large bootstrap currents associated…

NJL-type effective models represent a low-energy realization of QCD and incorporate pertinent aspects such as chiral symmetry and its spontaneous breaking, the center symmetry in the heavy-quark limit as well as the axial anomaly. One such…

The crystal structure and lattice phonons of (BEDT-TTF)_2I_3 superconducting \beta-phase are computed and analyzed by the Quasi Harmonic Lattice Dynamics (QHLD) method. Whereas the crystal structure and its temperature and pressure…

We formulate Non-Relativistic Quantum Chromodynamics (NRQCD) on a lattice which is boosted relative to the usual discretization frame. Moving NRQCD (mNRQCD) allows us to treat the momentum for the heavy quark arising from the frame choice…

Constrained molecular dynamics(CoMD) model, previously introduced for nuclear dynamics, has been extended to the atomic structure and collision calculations. Quantum effects corresponding to the Pauli and Heisenberg principle are enforced…

We present static and dynamic properties of molecular correlation functions S_{lmn,l'm'n'}(q,t) in a simulated supercooled liquid of water molecules, as a preliminary effort in the direction of solving the molecular mode coupling theory…

We study the dynamics of particles in a multi-component 2d Lennard-Jones (LJ) fluid in the limiting case where {\it all the particles are different} (APD). The equilibrium properties of this APD system were studied in our earlier work…

We compare our 2+1 flavor, staggered QCD lattice results with a quasiparticle picture. We determine the pressure, the energy density, the baryon density, the speed of sound and the thermal masses as a function of T and $\mu_B$. For the…

We propose a method to study lattice QCD at non-vanishing temperature (T) and chemical potential (\mu). We use n_f=2+1 dynamical staggered quarks with semi-realistic masses on L_t=4 lattices. The critical endpoint (E) of QCD on the…

Recently the supercooled Wahnstrom binary Lennard-Jones mixture was partially crystallized into ${\rm MgZn_2}$ phase crystals in lengthy Molecular Dynamics simulations. We present Molecular Dynamics simulations of a modified Kob-Andersen…