Related papers: A Sublattice Phase-Field Model for Direct CALPHAD …
This study addresses microstructure selection mechanisms in rapid solidification, specifically targeting the transition from cellular/dendritic to planar interface morphologies under conditions relevant to additive manufacturing. We use a…
In the present study, a consistent and conservative Phase-Field model is developed to study thermo-gas-liquid-solid flows with liquid-solid phase change. The proposed model is derived with the help of the consistency conditions and exactly…
In order to establish the thermodynamic stability of a system, knowledge of its Gibbs free energy is essential. Most often, the Gibbs free energy is predicted within the CALPHAD framework using models employing thermodynamic properties,…
The CALPHAD system of fundamental phase-level databases, now known as the Materials Genome, has enabled a mature technology of computational materials design and qualification that has already met the acceleration goals of the national…
This is an informal overview of methods and results on the QCD phase diagram and lattice termodynamics aimed at specialists in nearby fields.
Directional solidification of water-based solutions has emerged as a versatile technique for templating hierarchical porous materials. However, the underlying mechanisms of pattern formation remain incompletely understood. In this work, we…
This paper represents a model for microstructure formation in metallic foams based on the multi-phase-field (MPF) approach. By the use of a no-coalescence boundary condition within this MPF-framework, it is possible to completely prevent…
In this work, a phase-field model is developed for the dendritic growth with gas bubbles in the solidification of binary alloys. In this model, a total free energy for the complex gas-liquid-dendrite system is proposed through considering…
We propose a novel approach for constructing training databases for Machine-Learned Interatomic Potential (MLIP) models, specifically designed to capture phase properties across a wide range of conditions. The framework is uniquely…
Calculation of phase diagrams is one of the fundamental tools in alloy design---more specifically under the framework of Integrated Computational Materials Engineering. Uncertainty quantification of phase diagrams is the first step required…
Thermofield dynamics (TFD) approach is a real time quantum field method for dealing with finite temperature quantum states in a purified version of usual density operator formalism at finite temperature. In the domain of quantum…
Modeling microstructure evolution in electrochemical systems is vital for understanding the mechanism of various electrochemical processes. In this work, we propose a general phase field framework that is fully variational and thus…
We study the Kondo Lattice Model (KLM) on a square lattice through a Hartree-Fock approximation in which the local spins are treated semi-classically, in the sense that their average values are modulated by a magnetic wavevector…
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…
Multiphase flows with high density ratios, such as water and air flows, have recently been simulated using the lattice Boltzmann (LB) method. This approach corresponds to solving the phase field equations, such as the Cahn-Hilliard and…
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…
As an aid to the development of hydrogen separation membranes, we predict the temperature dependent phase diagrams using first principles calculations combined with thermodynamic principles. Our method models the phase diagram without…
An effective-field method for caculation of thermodynamic properties of three-dimensional lattice spin models is developed. It is applied to the ANNNI model on the simple cubic lattice. The phase diagram of the model, consisting of a large…
The formation and dynamics of free-surface structures, such as steps or terraces and their interplay with the phase separation in the bulk are key features of diblock copolymer films. We present a phase-field model with an obstacle…
We use high-temperature series expansions to obtain thermodynamic properties of the quantum compass model, and to investigate the phase transition on the square and simple cubic lattices. On the square lattice we obtain evidence for a phase…