相关论文: Emergence of step flow from atomistic scheme of ep…

We formulate a new (1+1)D step model of potentially unstable vicinal growth that we call "C+ - C-" model and study the step bunching process in it. The basic assumption is that the equilibrium adatom concentrations on both sides of the step…

The development of consistent and stable quasicontinuum models for multi-dimensional crystalline solids remains a challenge. For example, proving stability of the force-based quasicontinuum (QCF) model remains an open problem. In 1D and 2D,…

We describe a general method to model multicomponent ordered crystals using the phase-field crystal (PFC) formalism. As a test case, a generic B2 compound is investigated. We are able to produce a line of either first-order or second-order…

We examine the step dynamics in a 1+1 dimensional model of epitaxial growth based on the BCF-theory. The model takes analytically into account the diffusion of adatoms, an incorporation mechanism and an Ehrlich-Schwoebel barrier at step…

We propose a kinetic framework for single-component non-ideal isothermal flows. Starting from a kinetic model for a non-ideal fluid, we show that under conventional scaling the Navier-Stokes equations with a non-ideal equation of state are…

As a departure from existing continuum approaches for describing the stability and evolution of surfaces of crystalline materials, this article provides a description of surface evolution based on the physics of the main feature imposed by…

We develop and implement a novel lattice Boltzmann scheme to study multicomponent flows on curved surfaces, coupling the continuity and Navier-Stokes equations with the Cahn-Hilliard equation to track the evolution of the binary fluid…

We develop and analyze a two-mode phase-field-crystal model to describe fcc ordering. The model is formulated by coupling two different sets of crystal density waves corresponding to <111> and <200> reciprocal lattice vectors, which are…

Motivated by recent experiments, the isotropic-nematic phase transition in chromonic liquid crystals is studied. As temperature decreases, nematic nuclei nucleate, grow, and coalesce, giving rise to tactoid microstructures in an isotropic…

The dynamics of steps on crystal surfaces is considered. In general, the meandering of the steps obeys a subdiffusive behaviour. The characteristic asymptotic time laws depend on the microscopic mechanism for detachment and attachment of…

We investigate the nonlinear evolution of the Bales-Zangwill instability, responsible for the meandering of atomic steps on a growing vicinal surface. We develop an asymptotic method to derive, in the continuous limit, an evolution equation…

Reliable trajectory-based nonadiabatic quantum dynamics methods at the atomic level are critical for understanding many important processes in real systems. The paper reports latest progress of nonadiabatic field (NaF), a conceptually novel…

Mirroring their role in electrical and optical physics, two-dimensional crystals are emerging as novel platforms for fluid separations and water desalination, which are hydrodynamic processes that occur in nanoscale environments. For…

Phase field crystal (PFC) models constitute a field theoretical approach to solidification, melting and related phenomena at atomic length and diffusive time scales. One of the advantages of these models is that they naturally contain…

The quasistatic approximation is a useful but questionable simplification for analyzing step instabilities during the growth/evaporation of vicinal surfaces. Using this approximation, we characterized in Part I of this work the effect on…

Driven or active suspensions can display fascinating collective behavior, where coherent motions or structures arise on a scale much larger than that of the constituent particles. Here, we report experiments and numerical simulations…

Starting from a detailed model for the kinetics of a step edge or island boundary, we derive a Gibbs-Thomson type formula and the associated step stiffness as a function of the step edge orientation angle, $theta$. Basic ingredients of the…

The kinetics of monoatomic steps in diffusion-controlled crystal growth and evaporation processes are investigated analytically using a Green's function approach. Integro-differential equations of motion for the steps are derived; and a…

In this work, we are concerned with the stability and convergence analysis of the second order BDF (BDF2) scheme with variable steps for the molecular beam epitaxial model without slope selection. We first show that the variable-step BDF2…

We discuss an active phase field crystal (PFC) model that describes a mixture of active and passive particles. First, a microscopic derivation from dynamical density functional theory (DDFT) is presented that includes a systematic treatment…