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We study the adsorption-desorption of fluid molecules on a solid substrate by introducing a schematic model in which the adsorption/desorption transition probabilities are given by irreversible kinetic constraints with a tunable violation…
We present simulations of the relaxation towards equilibrium of one dimensional steps and sinusoidal grooves imprinted on a surface below its roughening transition. We use a generalization of the hypercube stacking model of Forrest and…
A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description.…
Motivated by solid-solid phase transitions in elastic thin films, we perform a Gamma-convergence analysis for a singularly perturbed energy describing second order phase transitions in a domain of vanishing thickness. Under a two-wells…
We present a modified version of the one-dimensional sine-Gordon that exhibits a thermodynamic, roughening phase transition, in analogy with the 2D usual sine-Gordon model. The model is suited to study the crystalline growth over an…
We present a phase field model of solidification which includes the effects of the crystalline orientation in the solid phase. This model describes grain boundaries as well as solid-liquid boundaries within a unified framework. With an…
We compute properties of the interface of the 3-dimensional Ising model for a wide range of temperatures, covering the whole region from the low temperature domain through the roughening transition to the bulk critical point. The interface…
For the contact of two finite portions of interacting rigid crystalline surfaces, we compute the dependence of the pinning energy barrier on the misfit angle and contact area. The resulting data are used to investigate the distribution of…
We study the dynamical regimes of a density-stratified fluid confined between isothermal no-slip top and bottom boundaries (at temperatures $T_t$ and $T_b$) via direct numerical simulation. The thermal expansion coefficient of the fluid is…
This paper presents a numerical analysis of the transition from selective withdrawal to viscous entrainment. In our model problem, an interface between two immiscible layers of equal viscosity is deformed by an axisymmetric withdrawal flow,…
We develop an irreversible thermodynamics framework for the description of creep deformation in crystalline solids by mechanisms that involve vacancy diffusion and lattice site generation and annihilation. The material undergoing the creep…
We have performed multicanonical chain-growth simulations of a polymer interacting with an adsorbing surface. The polymer, which is not explicitly anchored at the surface, experiences a hierarchy of phase transitions between conformations…
We present molecular dynamics simulations of the thermodynamic melting transition of a bcc metal, vanadium using the Finnis-Sinclair potential. We studied the structural, transport and energetic properties of slabs made of 27 atomic layers…
Single molecule mechanical unfolding experiments are beginning to provide profiles of the complex energy landscape of biomolecules. In order to obtain reliable estimates of the energy landscape characteristics it is necessary to combine the…
Molecular disordering of the ice surface occurs below the bulk melting temperature of 273 K, termed surface premelting. The top-most molecular layer begins gradually premelting at 200 K, and has been linked to its low coefficient of…
We introduce a new phase-field model which allows for simulation of incoherent solid/solid transformations. Contrary to previous models which impose coherency at the interface, the zero shear-stress condition characteristic of incoherent…
Monte Carlo or Molecular Dynamics calculations of surfaces of Lennard-Jones systems often indicate, apart from a gradual disordering of the surface called surface melting, the presence of a phase transition at the surface, but cannot…
We have studied the effect of annealing temperature on the statistical properties of $WO_3$ surface using atomic force microscopy techniques (AFM). We have applied both level crossing and structure function methods. Level crossing analysis…
The onset of thermal convection in a horizontal layer of a colloidal suspension is investigated in terms of a continuum model for binary-fluid mixtures where the viscosity depends on the local concentration of colloidal particles. With an…
Boundary conditions for the solid-liquid interface of the solidifying pure melt have been derived. In the derivation the model of Gibbs interface is used. The boundary conditions include both the state quantities of bulk phases are taken at…