Related papers: A phase-field-crystal approach to critical nuclei
In this work, a theoretical study of phase equilibrium in mixtures of a calamitic nematic liquid crystal and hard spherical nanoparticles is presented. A mean-field thermodynamic model is used, where the interactions are considered to be…
Phase field crystal is a model used to describe the behavior of crystalline materials at the mesoscale. In this study, we investigate the well-posedness of a phase field crystal equation subject to a degenerate mobility $M(u)$ that equals…
Systems with long-range interactions when quenced into a metastable state near the pseudo-spinodal exhibit nucleation processes that are quite different from the classical nucleation seen near the coexistence curve. In systems with…
We develop a phase-field model of eutectic growth that uses three phase fields, admits strictly binary interfaces as stable solutions, and has a smooth free energy functional. We use this model to simulate oscillatory limit cycles in…
A multiscale scheme combining molecular dynamics (MD) and microscopic phase-field theory is proposed to study the structural phase transformations in solids with inhomogeneous strain field. The approach calculates strain response based on…
The process of homogeneous crystal nucleation has been considered in a model liquid, where the interparticle interaction is described by a short-range spherical oscillatory potential. Mechanisms of initiating structural ordering in the…
We used molecular dynamics simulations and the path sampling technique known as forward flux sampling to study homogeneous nucleation of NaCl crystals from supersaturated aqueous solutions at 298 K and 1 bar. Nucleation rates were obtained…
We outline two approaches for studying the electroweak phase transition in the framework of the four-dimensional SU(2) Higgs model on a lattice. The first one is based on a combination of variational estimates for the free energy and a…
This paper addresses the modeling of fracture in quasi-brittle materials using a phase-field approach to the description of crack topology. Within the computational mechanics community, several studies have treated the issue of modeling…
Nucleation is an activated process in which the system has to overcome a free energy barrier in order for a first-order phase transition between the metastable and the stable phases to take place. In the liquid-to-solid transition the…
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 describe a Monte Carlo procedure which allows sampling of the disjoint configuration spaces associated with crystalline and fluid phases, within a single simulation. The method utilises biased sampling techniques to enhance the…
Quantum shape-phase transitions in finite nuclei are considered in the framework of the interacting boson model. Critical-point Hamiltonians for first- and second-order transitions are identified by resolving them into intrinsic and…
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,…
Non-aligning self-propelled particles with purely repulsive excluded volume interactions undergo athermal motility-induced phase separation into a dilute gas and a dense cluster phase. Here, we use enhanced sampling computational methods…
The exploration of solid-solid phase transition suffers from the uncertainty of how atoms in two crystal structures match. We devised a theoretical framework to describe and classify crystal-structure matches (CSM). Such description fully…
The complex arrangements of atoms near grain boundaries are difficult to understand theoretically. We propose a phenomenological (Ginzburg-Landau-like) description of crystalline phases based on symmetries and fairly general stability…
The scenario of homogeneous nucleation is investigated for a first order quark-hadron phase transition in a rapidly expanding background of quark gluon plasma. It is found that significant supercooling is possible before hadronization…
Two-level atoms interacting with a one mode cavity field at zero temperature have order parameters which reflect the presence of a quantum phase transition at a critical value of the atom-cavity coupling strength. Two popular examples are…
The stability of organic solar cells is strongly affected by the morphology of the photoactive layers, whose separated crystalline and/or amorphous phases are kinetically quenched far from their thermodynamic equilibrium during the…