相关论文: Revisiting the domain model for lithium intercalat…

Using Monte Carlo Simulation and fundamental measure theory we study the phase diagram of a two-dimensional lattice gas model with a nearest neighbor hard core exclusion and a next-to-nearest neighbors finite repulsive interaction. The…

Energy efficient, safe and reliable Li-ion batteries (LIBs) are required for a wide range of applications. Charging capabilities of thick electrodes still holding their stored high-energy is a most desirable characteristic in future…

Density-functional-theory (DFT) calculations have been performed on the Li-Si and Li-Ge systems. Lithiated Si and Ge, including their metastable phases, play an important technological r\^ole as Li-ion battery (LIB) anodes. The calculations…

We study the dynamical properties of recently introduced frustrated lattice gas models (IFLG and Tetris) for granular media under gentle shaking. We consider both the case where grains have inter-grain surface interactions and the case…

We introduce and explore patterned lattices consisting of coupled isospectral cells that vary across the lattice. The isospectrality of the cells is encapsulated in the phase that characterizes each cell and can be designed at will such…

We study a harmonic triangular lattice, which relaxes in the presence of a weak, short-wavelength periodic potential. Monte Carlo simulations reveal that the elastic lattice has only short-ranged positional correlations, despite the absence…

Dirac fermions in graphene may experiment dispersive pseudo-Landau levels due to a homogeneous pseudomagnetic field and a position-dependent Fermi velocity induced by strain. In this paper, we study the (semi-classical) dynamics of these…

The phase-field method has become in recent years the method of choice for simulating microstructural pattern formation during solidification. One of its main advantages is that time-dependent three-dimensional simulations become feasible.…

We report a theoretical investigation of a charged 180$^\circ$ domain wall in ferroelectric PbTiO$_3$, compensated by randomly distributed immobile charge defects. For this we utilize atomistic shell-model simulations and continuous…

We extend a previously studied lattice model of particles with infinite repulsions to the case of finite energy interactions. The phase diagram is studied using grand canonical Monte Carlo simulation. Simulations of dynamical phenomena are…

Kinetically constrained spin models are schematic coarse-grained models for the glass transition which represent an efficient theoretical tool to study detailed spatio-temporal aspects of dynamic heterogeneity in supercooled liquids. Here,…

We investigate the ground state properties of rectangular dipole lattices on curved surfaces. The curved geometry can `distort' the lattice and lead to dipole equilibrium configurations that strongly depend on the local geometry of the…

As a first step towards a nonperturbative investigation of the gauge-fixing (Rome) approach to lattice chiral gauge theories we study a U(1) model with an action that includes a local gauge-fixing term and a mass counterterm for the gauge…

We consider a lattice gas interacting by the exclusion rule in the presence of a random field given by i.i.d. bounded random variables in a bounded domain in contact with particles reservoir at different densities. We show, in dimensions $d…

Using mean-field approximations, this paper identifies a phase transition in a three-dimensional Electron Glass lattice model. The density of states of the eigenvalue distribution of the inverse susceptibility matrix is used to identify the…

We study the dynamics of lattice models of quantum spins one-half, driven by a coherent drive and subject to dissipation. Generically the meanfield limit of these models manifests multistable parameter regions of coexisting steady states…

Layered materials have huge potential in various applications due to their extraordinary properties. To determine the interlayer interaction (or equivalently the layer spacing under different perturbations) is of critical importance. In…

Nonequilibrium steady states in driven diffusive systems exhibit many features which are surprising or counterintuitive, given our experience with equilibrium systems. We introduce the prototype model and review its unusual behavior in…

We present Monte Carlo simulation results for the three dimensional Thirring model on moderate sized lattices using a hybrid molecular dynamics algorithm which permits an odd or non-integer number Nf of fermion flavors. We find a continuous…

The essential properties of graphite-based 3D systems are thoroughly investigated by the first-principles method. Such materials cover a simple hexagonal graphite, a Bernal graphite, and the stage-1 to stage-4 Li/Li$^+$ graphite…