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We investigate the growth of two-dimensional (2D) crystals on fluctuating surfaces using a phase field crystal model that is relevant on atomic length and diffusive time scales. Motivated by recent experiments which achieved unprecedented…
In this work, we conducted molecular dynamics simulations to study the fracture mechanism of ice crystals in a bulk phase and at ice-ice interfaces at the atomistic scale. We show that there exists a narrow disordered interfacial layer…
We examine the growth of crystals from vapor. We assume that the Wulff shape is a prism with a hexagonal base. The Gibbs-Thomson correction on the crystal surface is included in the model. Assuming that the-initial crystal has an admissible…
Polar mesospheric clouds provide clues to physicochemical processes in the mesosphere and lower thermosphere. However, the heterogeneous nucleation and growth processes of water ice under polar mesospheric conditions are poorly understood,…
Classical Molecular Dynamics (MD) simulations are employed as a tool to investigate structural properties of ice crystals under several temperature and pressure conditions. All ice crystal phases are analyzed by means of a computational…
We investigate crystal-growth kinetics in the presence of strong shear flow in the liquid, using molecular-dynamics simulations of a binary-alloy model. Close to the equilibrium melting point, shear flow always suppresses the growth of the…
Recent experimental and theoretical investigations of crystal growth from solution in the vicinity of an impermeable wall have shown that: (i) growth can be maintained within the contact region when a liquid film is present between the…
We extend the phase-field approach to model the solidification of faceted materials. Our approach consists of using an approximate gamma-plot with rounded cusps that can approach arbitrarily closely the true gamma-plot with sharp cusps that…
Kinetic Monte Carlo approach is developed to study aspects of sintering of dispersed nanoparticles of bimodal size distributions. We explore mechanisms of neck development when sintering is initiated at elevated temperatures for nanosize…
Using a modified Lennard-Jones model for anisotropic particles, we present results of molecular dynamics simulation in two dimensions. In one-component systems, we find crystallization, a Berezinskii-Kosterlitz-Thouless phase, and a…
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 study a simple growth model for (d+1)-dimensional films of binary alloys in which atoms are allowed to interact and equilibrate at the surface, but are frozen in the bulk. The resulting crystal is highly anisotropic: Correlations…
We perform extensive monomer-resolved computer simulations of suitably-designed amphiphilic dendritic macromolecules over a broad range of densities, proving the existence and stability of cluster crystals formed in these systems, as…
The morphologies of two-dimensional (2D) crystals, nucleated, grown, and integrated within 2D elastic fluids, for instance in giant vesicle membranes, are dictated by an interplay of mechanics, permeability, and thermal contraction.…
We show that condensation is an efficient particle growth mechanism, leading to growth beyond decimeter-sized pebbles close to an ice line in protoplanetary discs. As coagulation of dust particles is frustrated by bouncing and…
We fully generalize a previously-developed computational geometry tool [1] to perform large-scale simulations of arbitrary two-dimensional faceted surfaces $z = h(x,y)$. Our method uses a three-component facet/edge/junction storage model,…
We characterize the role of the roton instability in the formation of a supersolid state of an elongated dipolar condensate, following a quench of the contact interactions across the superfluid-supersolid transition, as observed in recent…
We present an original approach for predicting the static recrystallization texture development during annealing of deformed crystalline materials. The microstructure is considered as a population of subgrains and grains whose sizes and…
The ground state of a two-dimensional, harmonically confined mesoscopic assembly of up to thirty polar molecules is studied by computer simulations. As the strength of the confining trap is increased, clusters evolve from superfluid, to…
Crystallization is a fundamental process in materials science, providing the primary route for the realization of a wide range of new materials. Crystallization rates are also considered to be useful probes of glass-forming ability. At the…