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

A quantum Monte Carlo approach, considering all the corrugation effects, was used to calculate the complete phase diagram of the second $^3$He layer adsorbed on graphite. We found that a first-layer triangular solid was in equilibrium with…

We introduce effective field theories for the electronic properties of graphene in terms of relativistic fermions propagating in 2+1 dimensions, and outline how strong inter-electron interactions may be modelled by numerical simulation of a…

Gauge theories are of paramount importance in our understanding of fundamental constituents of matter and their interactions. However, the complete characterization of their phase diagrams and the full understanding of non-perturbative…

When subjected to electro-mechanical loading, ferroelectrics see their polarization evolve through the nucleation and evolution of domains. Existing mesoscale phase-field models for ferroelectrics are typically based on a gradient-descent…

We use quantum Monte Carlo simulations to obtain zero-temperature state diagrams for strongly correlated lattice bosons in one and two dimensions under the influence of a harmonic confining potential. Since harmonic traps generate a…

We consider a distributed Lagrange multiplier formulation for fluid-structure interaction problems in the spirit of the fictitious domain approach. This is an unfitted method, which does not require the construction of meshes conforming to…

We use a modified Shan-Chen, noiseless lattice-BGK model for binary immiscible, incompressible, athermal fluids in three dimensions to simulate the coarsening of domains following a deep quench below the spinodal point from a symmetric and…

The result of 2-dimensional Gaussian lattice fit to a speckle intensity pattern based on a linear model that includes nearest-neighbor interactions is presented. We also include a Monte Carlo simulation of the same spatial speckle pattern…

We study the influence of thermal fluctuations in the phase diagram of a recently introduced two-dimensional phase field crystal model with an external pinning potential. The model provides a continuum description of pinned lattice systems…

Using a two-dimensional coarse-grained chain model, planar slits in multilayer graphite crystals are simulated. It is shown that when covering a linear cavity on the flat surface of a graphite crystal with a multilayer graphene sheet, an…

Recent experiments report the existence of ferromagnetic and superconducting fluctuations in graphite at unexpectedly high temperatures. The interplay of disorder and interactions in a 2D graphene layer is shown to give rise to a rich phase…

Obtaining a complete picture of local processes still poses a significant challenge in battery research. Here we demonstrate an in-situ combination of multimodal neutron imaging with neutron diffraction for spatially resolved operando…

The interacting lattice gas model is used to simulate fluid flow through an open percolating porous medium with the fluid entering at the source-end and leaving from the opposite end. The shape of the steady-state concentration profile and…

The phase diagram of a lattice microemulsion model proposed by Ciach, H{\o}ye and Stell is studied using mean-field theory and Monte Carlo simulations. Surfactant directional degrees of freedom are summed out exactly before mean-field…

The critical behavior of the contact process in disordered and periodic binary 2d-lattices is investigated numerically by means of Monte Carlo simulations as well as via an analytical approximation and standard mean field theory.…

Graphite is the most widely used and among the most widely-studied anode materials for lithium-ion batteries. With increasing demands on lithium batteries to operate at lower temperatures and higher currents, it is crucial to understand…

We use the classical version of the density-functional theory in the weighted-density approximation to build up the entire phase diagram and the interface structure of a two-dimensional lattice-gas model which is known, from previous…

Thermodiffusive instabilities can have a leading order effect on flame propagation for lean premixed hydrogen flames. Many simulation studies have been performed to study this effect, but almost exclusively in two-dimensional (2D) or domain…

We study a quasi-two-dimensional electrostatic drift kinetic system as a model for near-marginal ion temperature gradient (ITG) driven turbulence. A proof is given of the nonlinear stability of this system under conditions of linear…

We analyse the correlated back and forth dynamics and dynamic heterogeneities, i.e. the presence of fast and slow ions, for a lithium metasilicate system via computer simulations. For this purpose we define, in analogy to previous work in…