Related papers: Phase field model of interfaces in single-componen…
We investigate a new phase field model for representing non-oriented interfaces, approximating their area and simulating their area-minimizing flow. Our contribution is related to the approach proposed in arXiv:2105.09627 that involves ad…
While biological crystallization processes have been studied on the microscale extensively, models addressing the mesoscale aspects of such phenomena are rare. In this work, we investigate whether the phase-field theory developed in…
In this work, phase diagrams of a modified two-mode phase-field crystal (PFC) that show two-dimensional (2D) and three-dimensional (3D) crystallographic structures were determined by utilizing a free energy minimization method. In this…
We study a diffusion model of phase field type, consisting of a system of two partial differential equations encoding the balances of microforces and microenergy; the two unknowns are the order parameter and the chemical potential. By a…
We study the dynamics and morphology of grain growth with anisotropic energy and mobility of grain boundaries using a generalized phase field model. In contrast to previous studies, both inclination and misorientation of the boundaries are…
Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy…
A self consistent field theory for compressible polymer mixtures is developed by introducing elements of classical density functional theory into the framework of the Helfand theory. It is then applied to study free surfaces of binary (A,B)…
The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the…
A self-consistent many-body approach is proposed to build a first-principles crystal field theory, where crystal field parameters are calculated ab initio. Many-body theory is used to write the energy of the interacting system as a function…
The Cahn--Hilliard equation is a widely used model that describes amongst others phase separation processes of binary mixtures or two-phase flows. In the recent years, different types of boundary conditions for the Cahn--Hilliard equation…
We investigate a phase-field-crystal model for homogeneous nucleation. Instead of solving the time evolution of a density field towards equilibrium we use a String Method to identify saddle points in phase space. The saddle points allow to…
For the time-fractional phase field models, the corresponding energy dissipation law has not been settled on both the continuous level and the discrete level. In this work, we shall address this open issue. More precisely, we prove for the…
We present a novel phase-field model development capability in the open source MOOSE finite element framework. This facility is based on the 'modular free energy' approach in which the phase-field equations are implemented in a general form…
Atomic-scale phase-field modeling formulates the probability densities of atomic vibrations as Gaussian distributions and derives a free energy functional using variational Gaussian theory and interatomic potentials. This framework permits…
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…
A physics-based analytical model describing the phase transition from crystalline to conformationally disordered (condis) crystalline phase is developed. In the model, the free energy is written as a function of temperature and the lattice…
We continue the analysis of the onset of classical behaviour in a scalar field after a continuous phase transition, in which the system-field, the long wavelength order parameter of the model, interacts with an environment, of its own…
Conventional phase-field models often drive solid-solid interfaces to coalesce when in close proximity. This feature limits their use for processes like diffusion bonding, where the interfaces might need to remain distinct under certain…
We propose a new Cahn-Hilliard phase field model coupled to incompressible viscoelasticity at large strains, obtained from a diffuse interface mixture model and formulated in the Eulerian configuration. A new kind of diffusive…
The derivation of density functional energies from the random phase approximation of self-consistent mean field theory is generalized and applied to a binary blend of diblock copolymers and homopolymers. A nonlocal transformation is…