Focus on Phase Field Crystal Modelling in Materials Science

Figure
Amplitude phase field crystal simulations of a binary alloy. Top panels: A low angle grain boundary with the magnitude of density fluctuations (A) on the left and the corresponding concentration fluctuations on the right (Cottrell atmospheres). Bottom: Eutectic solidification with the reconstructed density on the left and A on the right.

Guest Editors

Ken Elder Oakland University, USA
Nikolas Provatas McGill University, Canada
Zhi-Feng Huang Wayne State University, USA
Håkan Hallberg Lund University, Sweden

Scope

Phase field crystal (PFC) models have been used to study the physics of materials across multiple scales for almost two decades and have attracted significant interest across different disciplines of science and engineering. A great deal of research has gone into improving the complexity of PFC models far beyond the original model which covered only triangular or bcc crystal structures in single-component systems.

There are currently various PFC models for many crystalline symmetries and for multi-component alloys. There have also been attempts to improve the connection with both atomistic and traditional continuum descriptions of materials and to make the PFC methodology quantitative. Examples of such improvement include recent advances to reduce the small length-scale restriction of PFC through complex amplitude models (APFC) that are coarse grained from PFC models. In addition, various numerical methods have been developed to increase the computational efficiency. A large amount of current research efforts have focused on advancing the PFC to model and simulate solidification and phase transformations in a wide variety of solid and soft material systems.

The purpose of this issue is to highlight the numerous advances in the PFC field, as well as the challenges that remain.

How to submit

Log in to the Author page at https://mc04.manuscriptcentral.com/msmse-iop and start a new submission. In step 1 of the submission, select "Special Issue Article" as the article type, and then "Focus on Phase Field Crystal Modelling in Materials Science" as the special issue.

Important dates and deadlines

Submission deadline: 31st March 2022

Articles will be published in a regular journal issue on a rolling basis as they are accepted. Early submissions are encouraged and can be published early without delaying for other papers in the collection.

Papers

Open access
Phase field crystal model for particles with n-fold rotational symmetry in two dimensions

Robert F B Weigel and Michael Schmiedeberg 2022 Modelling Simul. Mater. Sci. Eng. 30 074003

Open access
Explicit temperature coupling in phase-field crystal models of solidification

Maik Punke et al 2022 Modelling Simul. Mater. Sci. Eng. 30 074004

Elasticity versus phase field driven motion in the phase field crystal model

Amit Acharya et al 2022 Modelling Simul. Mater. Sci. Eng. 30 064005

Open access
Derivation and analysis of a phase field crystal model for a mixture of active and passive particles

Michael te Vrugt et al 2022 Modelling Simul. Mater. Sci. Eng. 30 084001

Phase field crystal simulation of gap healing at nanoscale

Yi-xuan Li et al 2022 Modelling Simul. Mater. Sci. Eng. 30 064004

Structural phase-field crystal model for Lennard–Jones pair interaction potential

V Ankudinov 2022 Modelling Simul. Mater. Sci. Eng. 30 064002

Open access
Time-scale investigation with the modified phase field crystal method

Duncan Burns et al 2022 Modelling Simul. Mater. Sci. Eng. 30 064001

Open access
Magnetic APFC modeling and the influence of magneto-structural interactions on grain shrinkage

Rainer Backofen et al 2022 Modelling Simul. Mater. Sci. Eng. 30 064003

Energy quadratization Runge–Kutta method for the modified phase field crystal equation

Jaemin Shin et al 2022 Modelling Simul. Mater. Sci. Eng. 30 024004

A phase field crystal model for materials crystallization in the presence of nanoscale pores

Abash Sharma et al 2022 Modelling Simul. Mater. Sci. Eng. 30 014005

Evaluation of grain boundary energy, structure and stiffness from phase field crystal simulations

Kevin Hult Blixt and Håkan Hallberg 2022 Modelling Simul. Mater. Sci. Eng. 30 014002

Hydrodynamic phase field crystal approach to interfaces, dislocations, and multi-grain networks

Vidar Skogvoll et al 2022 Modelling Simul. Mater. Sci. Eng. 30 084002

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