From classical thermodynamics to phase-field method

LQ Chen, Y Zhao - Progress in Materials Science, 2022 - Elsevier
Phase-field method is a density-based computational method at the mesoscale for modeling
and predicting the temporal microstructure and property evolution during materials …

[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 …

An adaptive BDF2 implicit time-stepping method for the phase field crystal model

H Liao, B Ji, L Zhang - IMA Journal of Numerical Analysis, 2022 - academic.oup.com
An adaptive BDF2 implicit time-stepping method is analyzed for the phase field crystal
model. The suggested method is proved to preserve a modified energy dissipation law at the …

Molecular dynamics for near melting temperatures simulations of metals using modified embedded-atom method

SA Etesami, E Asadi - Journal of Physics and Chemistry of Solids, 2018 - Elsevier
Availability of a reliable interatomic potential is one of the major challenges in utilizing
molecular dynamics (MD) for simulations of metals at near the melting temperatures and …

Quantitative modeling of the equilibration of two-phase solid-liquid Fe by atomistic simulations on diffusive time scales

E Asadi, M Asle Zaeem, S Nouranian, MI Baskes - Physical Review B, 2015 - APS
In this paper, molecular dynamics (MD) simulations based on the modified-embedded atom
method (MEAM) and a phase-field crystal (PFC) model are utilized to quantitatively …

Formation path of δ hydrides in zirconium by multiphase field modeling

J Bair, MA Zaeem, D Schwen - Acta Materialia, 2017 - Elsevier
A multiphase field model is developed to study the effects of metastable ζ and γ hydrides on
the nucleation and growth of the stable δ hydrides in α zirconium matrix. The model …

An energy-stable convex splitting for the phase-field crystal equation

P Vignal, L Dalcin, DL Brown, N Collier, VM Calo - Computers & Structures, 2015 - Elsevier
The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential
equation, has generated considerable interest as a possible solution to problems arising in …

[HTML][HTML] Multiplicity of grain boundary structures and related energy variations

H Hallberg, KH Blixt - Materials Today Communications, 2024 - Elsevier
Ideal minimum-energy grain boundary (GB) structures are usually the only ones considered
when characterizing GBs. This limited perspective provides an incomplete view of the …

Liquid ordering induced heterogeneities in homogeneous nucleation during solidification of pure metals

A Mahata, T Mukhopadhyay, MA Zaeem - Journal of Materials Science & …, 2022 - Elsevier
Homogeneous crystal nucleation is prone to formation of defects and often experiences
heterogeneities, the inferences of which are crucial in processing crystalline materials and …

Efficient and energy stable numerical schemes for the two-mode phase field crystal equation

F Zhang, D Li, HW Sun - Journal of Computational and Applied …, 2023 - Elsevier
In this paper, we propose four time marching schemes for the two-mode phase field crystal
equation with the periodic boundary condition. The first-and second-order schemes are …