Related papers: Lattice-Geometry Effects in Garnet Solid Electroly…
Lithium halides with the general formula Li$_x$M$_y$X$_6$, where M indicates transition metal ions and X halide anions are very actively studied as solid-state electrolytes, because of relatively low cost, high stability and Li…
We investigate by Molecular-Dynamics simulations the fast mobility - the rattling amplitude of the particles temporarily trapped by the cage of the neighbors - in mildly supercooled states of dense molecular (linear trimers) and atomic…
We study the dynamics of Bose-Einstein condensed atoms in a 1-D optical lattice potential in a regime where the collective (Josephson) tunneling energy is comparable with the on-site interaction energy, and the number of particles per…
We report the experimental observation of discrete bright matter-wave solitons with attractive interaction in an optical lattice. Using an accordion lattice with adjustable spacing, we prepare a Bose-Einstein condensate of cesium atoms…
Lorentz lattice gases (LLGs) are discrete-time transport models in which a point particle moves ballistically between lattice sites and is scattered by randomly placed, quenched local scatterers such as ``rotators'' or ``mirrors.'' Despite…
Correlated anion and cation motion can significantly reduce the overall ion conductivity in electrolytes versus the ideal conductivity calculated based on the diffusion constants alone. Using coarse-grained molecular dynamics simulations,…
A lattice model for the study of mixtures of associating liquids is proposed. Solvent and solute are modeled by adapting the associating lattice gas (ALG) model. The nature of interaction solute/solvent is controlled by tuning the energy…
Recent measurements on ion conducting glasses have revealed that conductivity spectra for various temperatures and ionic concentrations can be superimposed onto a common master curve by an appropriate rescaling of the conductivity and…
We investigate the consequences of correlated hopping on the ground state properties of hard-core bosons on a square lattice as revealed by extensive exact diagonalizations and quantum Monte Carlo simulations. While for non interacting…
Monte Carlo simulations and dynamical mean-field approximations are performed to study the phase transition in a driven lattice gas with nearest-neighbor exclusion on a square lattice. A slight extension of the microscopic dynamics with…
We study the effects of long-range hopping and long-range inter-particle interactions on quantum walk of hard-core bosons in ideal and disordered one-dimensional lattices. We find that the range of hopping has a much more significant effect…
We study a lattice gas model of hard-core particles on a square lattice experiencing nearest neighbour attraction $J$. Each particle has an internal orientation, independent of the others, that point towards one of the four nearest…
Electron transport in GaN/AlxGa1-xN superlattices is investigated using a single particle Monte Carlo approach. To establish the band structure required GaN, AlN and their ternary alloy are investigated using a single electron Monte Carlo…
In this presentation we overview some recent results on biased tracer diffusion in lattice gases. We consider both models in which the gas particles density is explicitly conserved and situations in which the lattice gas particles undergo…
Fluids with competing short range attraction and long range repulsive interactions between the particles can exhibit a variety of microphase separated structures. We develop a lattice-gas (generalised Ising) model and analyse the phase…
As opposed to the conventional, approximate theory of electrical conduction in solids, which is based on energy band, quasi-particle states in infinite lattices, a rigorous theory exists that can be used to explain transport phenomena, in…
Artificial graphene consisting of honeycomb lattices other than the atomic layer of carbon has been shown to exhibit electronic properties similar to real graphene. Here, we reverse the argument to show that transport properties of real…
The effect of different move sets on the folding kinetics of the Monte Carlo simulations is analysed based on the conformation-network and the temperature-dependent folding kinetics. A new scheme of implementing Metropolis algorithm is…
The influence of electron-electron scattering on the distribution function and transport characteristics of intrinsic monolayer graphene is investigated via an ensemble Monte Carlo simulation. Due to the linear dispersion relation in the…
Using extensive molecular dynamics simulations of an equilibrium, glass-forming Lennard-Jones mixture, we characterize in detail the local atomic motions. We show that spatial correlations exist among particles undergoing extremely large…