Related papers: Revisiting the domain model for lithium intercalat…
Van der Waals hosts intercalated with transition metal (TM) ions exhibit a range of magnetic properties strongly influenced by the structural order of the intercalants. However, predictive computational models for the intercalant ordering…
Two-dimensional magnetic garnets exhibit complex and fascinating magnetic domain structures, like stripes, labyrinths, cells and mixed states of stripes and cells. These patterns do change in a reversible way when the intensity of an…
Distributions of potential and lithium content inside lithium ion batteries highly affects their performance and durability. An increased heterogeneity of the lithium distribution is expected in thick electrodes with high energy densities…
New lattice model for the gradient elasticity is suggested. This lattice model gives a microstructural basis for second-order strain-gradient elasticity of continuum that is described by the linear elastic constitutive relation with the…
We introduce a simple and efficient model to describe the potential energy surface of lithium diffusing in a solid-state ionic conductor. First, we assume that the Li atoms are fully ionized and we neglect the weak dependence of the…
Lithium intercalation into graphite is the foundation for the lithium-ion battery, and the thermodynamics of the lithiation of graphitic electrodes have been heavily investigated. Intercalated lithium in bulk graphite undergoes structural…
In this paper we propose a continuum variational model for a two-dimensional deformable lattice of atoms interacting with a two-dimensional rigid lattice. The two lattices have slightly different lattice parameters and there is a small…
A description of phase separation kinetics for solid binary (A,B) mixtures in thin film geometry based on the Kawasaki spin-exchange kinetic Ising model is presented in a discrete lattice molecular field formulation. It is shown that the…
We investigate a recent proposal to construct chiral gauge theories on the lattice using domain wall fermions. We restrict ourselves to the finite volume case, in which two domain walls are present, with modes of opposite chirality on each…
The lattice gas model for adsorption of alkaline elements on W(112) surface is studied by Monte Carlo simulations. The model includes dipole--dipole interaction as well as long-range indirect interaction. The numerical results show that…
The discovery by Tranquada et al. of an ordered phase of charged domain walls in the high-Tc cuprates leads us to consider the possible existence of a quantum domain-wall liquid. We propose minimal models for the quantization, by meandering…
The study of the interaction potential between static charges within Monte-Carlo simulation of graphene is carried out. The numerical simulations are performed in the effective lattice field theory with noncompact $3 + 1$-dimensional…
We investigate numerically the finite-size scaling properties of the domain wall energies in the three-dimensional gauge glass model. From the analysis of results obtained for systems of linear sizes $3\le L\le 8$ we conclude that the…
We propose a modified Gaussian ansatz to study binary condensates, trapped in harmonic and optical lattice potentials, both in miscible and immiscible domains. The ansatz is an apt one as it leads to the smooth transition from miscible to…
The phase diagram and the thermodynamics of the random field Ising model (RFIM) defined on a family of diamond hierarchical lattices of arbitrary dimension and scaling factor $b=2$ is investigated. The phase diagram is studied considering…
Lattice gauge theories (LGTs) can be employed to understand a wide range of phenomena, from elementary particle scattering in high-energy physics to effective descriptions of many-body interactions in materials. Studying dynamical…
The study of random graphs has become very popular for real-life network modeling such as social networks or financial networks. Inhomogeneous long-range percolation (or scale-free percolation) on the lattice $\mathbb Z^d$, $d\ge1$, is a…
Using realistic helium-helium and helium-graphite interactions and the path integral Monte Carlo method, we are able to identify the gas, superfluid liquid, commensurate-solid, and incommensurate-solid phases, and the coexistence regions…
We study a kinetically constrained lattice glass model in which continuous local densities are randomly redistributed on neighbouring sites with a kinetic constraint that inhibits the process at high densities, and a random bias accounting…
We have performed Monte Carlo simulations for the investigation of dynamic phase transitions on a honeycomb lattice which has garnered a significant amount of interest from the viewpoint of tailoring the intrinsic magnetism in…