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 …

Phase field modeling of defects and deformation

Y Wang, J Li - Acta Materialia, 2010 - Elsevier
New perspectives on the phase field approach in modeling deformation and fracture at the
fundamental defect level are reviewed. When applied at sub-angstrom length scales the …

Phase-field-crystal dynamics for binary systems: Derivation from dynamical density functional theory, amplitude equation formalism, and applications to alloy …

ZF Huang, KR Elder, N Provatas - … Review E—Statistical, Nonlinear, and Soft …, 2010 - APS
The dynamics of phase field crystal (PFC) modeling is derived from dynamical density
functional theory (DDFT), for both single-component and binary systems. The derivation is …

Thermodynamics of bcc metals in phase-field-crystal models

A Jaatinen, CV Achim, KR Elder, T Ala-Nissila - Physical Review E—Statistical …, 2009 - APS
We examine the influence of different forms of the free-energy functionals used in the phase-
field-crystal (PFC) model, and compare them with the second-order density-functional theory …

An unconditionally energy-stable method for the phase field crystal equation

H Gomez, X Nogueira - Computer Methods in Applied Mechanics and …, 2012 - Elsevier
The phase field crystal equation has been recently put forward as a model for microstructure
evolution of two-phase systems on atomic length and diffusive time scales. The theory is cast …

Amplitude expansion of the binary phase-field-crystal model

KR Elder, ZF Huang, N Provatas - … Review E—Statistical, Nonlinear, and Soft …, 2010 - APS
Amplitude representations of a binary phase-field-crystal model are developed for a two-
dimensional triangular lattice and three-dimensional bcc and fcc crystal structures. The …

Numerical solution to phase-field model of solidification: A review

A Zhang, Z Guo, B Jiang, S Xiong, F Pan - Computational Materials Science, 2023 - Elsevier
Recent advances in improving the computational efficiency of the phase-field simulations of
solidification microstructures are reviewed. The parallel progress of four typical approaches …

On the origin of 'fuzz'formation in plasma-facing materials

D Dasgupta, RD Kolasinski, RW Friddle, L Du… - Nuclear …, 2019 - iopscience.iop.org
Tungsten, the material used in the plasma-facing components (PFCs) of nuclear fusion
reactors, develops a fuzz-like surface morphology under typical reactor operating conditions …

Polymorphism, crystal nucleation and growth in the phase-field crystal model in 2D and 3D

GI Tóth, G Tegze, T Pusztai, G Tóth… - Journal of Physics …, 2010 - iopscience.iop.org
We apply a simple dynamical density functional theory, the phase-field crystal (PFC) model
of overdamped conservative dynamics, to address polymorphism, crystal nucleation, and …