相关论文: Investigating finite-size effects in molecular dyn…

To study the kinetics of phase separation in active matter systems, we consider models that impose a Vicsek-type self-propulsion rule on otherwise passive particles interacting via the Lennard-Jones potential. Two types of kinetics are of…

We study the low temperature magneto-transport properties of several highly disordered amorphous Indium oxide(a:InO) samples. Simultaneously fabricated devices comprising a 2-dimensional (2D) film and 10 $\mu$m long wires of different…

Amorphous silica (a-SiO$_2$) is a foundational disordered material for which the thermal transport properties are important for various applications. To accurately model the interatomic interactions in classical molecular dynamics (MD)…

Discrete lattice simulations of an one-dimensional phi^4 theory coupled to an external heat bath are being carried out. Great care is taken to remove the effects of lattice discreteness and finite size and to establish the correct…

We have performed ab-initio lattice dynamics and molecular dynamics studies of Li2X (X=O, S and Se) to understand the ionic conduction in these compounds. The inelastic neutron scattering measurements on Li2O have been performed across its…

The dynamic electron-ion collisions play an important rolein determining the static and transport properties of warmdense matter (WDM). Electron force field (eFF) method is applied to study the ionic transport properties of warm…

The influence of different types of disorder (both uncorrelated and correlated) on the superfluid properties of a weakly interacting or dilute Bose gas, as well as on the corresponding quantities for flux line liquids in high-temperature…

We investigate the dynamic behavior of finite-size systems close to a first-order transition (FOT). We develop a dynamic finite-size scaling (DFSS) theory for the dynamic behavior in the coexistence region where different phases coexist. It…

Using molecular dynamics (MD) with classical interaction potentials we present calculations of thermal conductivity and heat transport in crystals and glasses. Inducing shock waves and heat pulses into the systems we study the spreading of…

We investigate the effect of thermal fluctuations on the (mean-field) Abrikosov phase. The lower critical dimension of the superconducting phase is three, indicating the absence of the Abrikosov phase for dimensions d<3. Within the d=3…

In this paper we have investigated via experimental and simulations techniques the transport properties, in terms of total ionic conductivity and ion diffusion coefficients, of ionic liquids and lithium salt mixtures composed of two anions,…

We investigate finite-size effects on chiral symmetry breaking in a four-fermion interaction model at a finite temperature and a chemical potential. Applying the imaginary time formalism, the thermal quantum field theory is constructed on…

The accurate description of the structural and thermodynamic properties of ferroelectrics has been one of the most remarkable achievements of Density Functional Theory (DFT). However, running large simulation cells with DFT is…

Realistic modeling of ionic systems necessitates taking explicitly account of many-body effects. In molecular dynamics simulations, it is possible to introduce explicitly these effects through the use of additional degrees of freedom. Here…

Jamming is a geometric phase transition occurring in dense particle systems in the absence of temperature. We use computer simulations to analyse the effect of thermal fluctuations on several signatures of the transition. We show that…

We introduce and study a class of particle hopping models consisting of a single box coupled to a pair of reservoirs. Despite being zero-dimensional, in the limit of large particle number and long observation time, the current and activity…

We study the thermodynamics of ultracold Bose atoms in optical lattices by numerically diagonalizing the mean-field Hamiltonian of the Bose-Hubbard model. This method well describes the behavior of long-range correlations and therefore is…

Molecular dynamics simulation is a prominent way of analyzing the dynamic properties of a system. The molecular dynamics simulation of diffusion, an important transport property, of dilute solution of cysteine in SPCE water at five…

Experimental investigations of the phase diagram of strongly interacting matter involve collisions of heavy ions at ultrarelativistic velocities. The medium created in such a collision is often of dimensions a few fermi, in particular in…

We carry out direct numerical simulations of turbulent astrophysical media that explicitly track ionizations, recombinations, and species-by-species radiative cooling. The simulations assume solar composition and follows the evolution of…