Related papers: Linking Phase-Field and Atomistic Simulations to M…
We propose a combined computational approach based on the multi-phase-field and the lattice Boltzmann method for the motion of solid particles under the action of capillary forces. The accuracy of the method is analyzed by comparison with…
A phase-field model for three-phase flows is established by combining the Navier-Stokes (NS) and the energy equations, with the Allen-Cahn (AC) and Cahn-Hilliard (CH) equations and is demonstrated analytically to satisfy the energy…
In this paper, we propose and analyze an efficient numerical method for the anisotropic phase field dendritic crystal growth model, which is challenging because we are facing the nonlinear coupling and anisotropic coefficient in the model.…
In this work, we present a variational and quantitative phase-field model for non-isothermal sintering processes. The model is derived via an extended non-diagonal phase-field model. The model evolution equations have naturally…
We present a simple unifying model for crystallization and melting temperatures by showing that homogeneous nucleation and phase transformations driven by thickening of pre-existing surface layers are limiting conditions of the more general…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
This paper presents a broad theoretical and simulation study of the high temperature behavior of crystalline alkali halide surfaces typified by NaCl(100), of the liquid NaCl surface near freezing, and of the very unusual partial wetting of…
The superheating that usually occurs when a solid is melted by volumetric heating can produce irregular solid-liquid interfaces. Such interfaces can be visualised in ice, where they are sometimes known as Tyndall stars. This paper describes…
We critically compare the practicality and accuracy of numerical approximations of phase field models and sharp interface models of solidification. Particular emphasis is put on Stefan problems, and their quasi-static variants, with…
The nature of the melting transition in two-dimensional systems of particles has attracted considerable research attention since the development of Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) theory. The hexatic phase proposed by this…
Using Molecular Dynamics (MD) and Monte Carlo (MC) simulations interfacial properties of crystal-fluid interfaces are investigated for the hard sphere system and the one-component metallic system Ni (the latter modeled by a potential of the…
In a recent class of phase field crystal (PFC) models, the density order parameter is coupled to powers of its mean field. This effectively introduces a phenomenology of higher-order direct correlation functions acting on long wavelengths,…
In this paper the relationship between the density functional theory of freezing and phase field modeling is examined. More specifically a connection is made between the correlation functions that enter density functional theory and the…
Colloidal model systems allow studying crystallization kinetics under fairly ideal conditions with rather well characterized pair interactions and minimized external influences. In complementary approaches therefore experiment, analytic…
We present a continuum theory to describe elastically induced phase transitions between coherent solid phases. In the limit of vanishing elastic constants in one of the phases, the model can be used to describe fracture on the basis of the…
Micrometre sized colloidal particles can be viewed as large atoms with tailorable size, shape and interactions. These building blocks can assemble into extremely rich structures and phases, in which the thermal motions of particles can be…
Understanding the mechanical response and failure of solids is of obvious importance in their use as structural materials. The nature of plastic deformation leading to yielding of amorphous solids has been vigorously pursued in recent…
Computer simulations of the phenomenon of contact melting in binary alloys with chemical miscibility gap are performed on the basis of the phase field theory. Kinetics of the process is examined within the isothermal approximation, as a…
The noble elements constitute the simplest group of atoms. At low temperatures or high pressures they freeze into the face-centered cubic (fcc) crystal structure (except helium). We perform molecular dynamics using the recently proposed…
We derive a phase diagram for amorphous solids and liquid supercooled water and explain why the amorphous solids of water exist in several different forms. Application of large-deviation theory allows us to prepare such phases in computer…