Related papers: Lattice-Geometry Effects in Garnet Solid Electroly…
Elastic interactions arising from a difference of lattice spacing between two coherent phases can have a strong influence on the phase separation (coarsening) of alloys. If the elastic moduli are different in the two phases, the elastic…
Experimental studies of electron mobilities in Neon as a function of the gas density have persistently shown mobilities up to an order of magnitude smaller than expected and predicted. A previously ignored mechanism (gas in--homogeneity…
We study dynamical behaviors of one-dimensional stochastic lattice gases with repulsive interactions whose span can be arbitrary large. We endow the system with a zero-temperature dynamics, so that the hops to empty sites which would have…
Accurate models of alkali and halide ions in aqueous solution are necessary for computer simulations of a broad variety of systems. Previous efforts to develop ion force fields have generally focused on reproducing experimental measurements…
The thermodynamics of the lattice model of intercalation of ions in crystals is considered in the mean field approximation. Pseudospin formalism is used for the description of interaction of electrons with ions and the possibility of…
This work reports an investigation of electron transport in monoclinic \beta-Ga2O3 based on a combination of density functional perturbation theory based lattice dynamical computations, coupling calculation of lattice modes with collective…
In this series of papers, we study a Hamiltonian model for 3+1d topological phases, based on a generalisation of lattice gauge theory known as "higher lattice gauge theory". Higher lattice gauge theory has so called "2-gauge fields"…
We present Monte Carlo computer simulations for melts of semiflexible randomly knotted and randomly concatenated ring polymers on the fcc lattice and in slit confinement. Through systematic variation of the slit width at fixed melt density,…
Molecular dynamics simulation is utilized to investigate the ionic transport of NaCl in solution through a graphene nanopore under an applied electric field. Results show the formation of concentration polarization layers in the vicinity of…
We present simulations of flux-gradient-driven superconducting rigid vortices interacting with square and triangular arrays of columnar pinning sites in an increasing external magnetic field. These simulations allow us to quantitatively…
The magnetic properties of a system of coexisting localized spins and conduction electrons are investigated within an extended version of the one dimensional Kondo lattice model in which effects stemming from the electron-lattice and…
We show how the remotest sites of a finite lattice can be entangled, with the amount of entanglement exceeding that of a singlet, solely through the dynamics of an ideal Bose gas in a special initial state in the lattice. When additional…
Electron-correlation effects on cohesive energy, lattice constant and bulk compressibility of rutile are calculated using an ab-initio scheme. A competition between the two groups of partially covalent Ti-O bonds is the reason that the…
We study a one dimensional nonequilibrium lattice model with competing features of particle attraction and non-local hops. The system is similar to a zero range process (ZRP) with attractive particles but the particles can make both local…
We consider several one-dimensional driven lattice gas models that show a phase transition in the stationary state between a high-density fluid phase in which the particles are homogeneously distributed and a low-density jammed phase where…
A correlated inhomogeneous mean-field approach is proposed in order to study a tight-binding model of the manganite heterostructures (LaMnO3)2n/(SrMnO3)n with average hole doping x = 1/3. Phase diagrams, spectral and optical properties of…
We study a one-dimensional two-component Fermi gas in a harmonic trapping potential using finite temperature lattice quantum Monte Carlo methods. We are able to compute observables in the canonical ensemble via an efficient projective…
Novel physics arises when strongly correlated system is driven out of equilibrium by external fields. Dramatic changes in physical properties, such as conductivity, are empirically observed in strongly correlated materials under high…
A theoretical analysis of Coulomb systems on lattices in general dimensions is presented. The thermodynamics is developed using Debye-Huckel theory with ion-pairing and dipole-ion solvation, specific calculations being performed for 3D…
Roughness and orientational order in thin films of anisotropic particles are investigated using kinetic Monte Carlo simulations on a cubic lattice. Anisotropic next-neighbor interactions between the lattice particles were chosen to mimic…