Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

H Emmerich, H Löwen, R Wittkowski, T Gruhn… - Advances in …, 2012 - Taylor & Francis
Here, we review the basic concepts and applications of the phase-field-crystal (PFC)
method, which is one of the latest simulation methodologies in materials science for …

[HTML][HTML] Phase-field modeling of crystal nucleation in undercooled liquids–A review

L Gránásy, GI Tóth, JA Warren, F Podmaniczky… - Progress in Materials …, 2019 - Elsevier
We review how phase-field models contributed to the understanding of various aspects of
crystal nucleation, including homogeneous and heterogeneous processes, and their role in …

Modifying transformation pathways in high entropy alloys or complex concentrated alloys via thermo-mechanical processing

B Gwalani, S Gorsse, D Choudhuri, M Styles, Y Zheng… - Acta Materialia, 2018 - Elsevier
Often the experimentally-observed, single-phase high entropy alloy (HEA) is the result of
second-phase precipitation constrained by thermodynamic and kinetic factors. Using Al 0.3 …

Phase transformations, fracture, and other structural changes in inelastic materials

VI Levitas - International Journal of Plasticity, 2021 - Elsevier
Review of selected fundamental topics on the interaction between phase transformations,
fracture, and other structural changes in inelastic materials is presented. It mostly focuses on …

Multiphase phase field theory for temperature-and stress-induced phase transformations

VI Levitas, AM Roy - Physical Review B, 2015 - APS
Thermodynamic Ginzburg-Landau potential for temperature-and stress-induced phase
transformations (PTs) between n phases is developed. It describes each of the PTs with a …

Multiphase phase field theory for temperature-induced phase transformations: Formulation and application to interfacial phases

VI Levitas, AM Roy - Acta Materialia, 2016 - Elsevier
The main conditions for the thermodynamic potential for multiphase Ginzburg–Landau
theory are formulated for temperature-induced phase transformations (PTs). Theory, which …

Modeling and simulation of multi-component immiscible flows based on a modified Cahn–Hilliard equation

Q **a, J Kim, Y Li - European Journal of Mechanics-B/Fluids, 2022 - Elsevier
In this study, an efficient method will be developed for the phase-field model of multi-
component immiscible phases. The formulation of surface tension requires the interfaces to …

Consistent multiphase-field theory for interface driven multidomain dynamics

GI Tóth, T Pusztai, L Gránásy - Physical Review B, 2015 - APS
We present a multiphase-field theory for describing pattern formation in multidomain and/or
multicomponent systems. The construction of the free energy functional and the dynamic …

Amorphous nucleation precursor in highly nonequilibrium fluids

GI Tóth, T Pusztai, G Tegze, G Tóth, L Gránásy - Physical Review Letters, 2011 - APS
Dynamical density-functional simulations reveal structural aspects of crystal nucleation in
undercooled liquids: The first appearing solid is amorphous, which promotes the nucleation …