Coarse-grained modeling of crystals by the amplitude expansion of the phase-field crystal model: An overview
Research output: Contribution to journal › Review article › Contributed › peer-review
Contributors
Abstract
Comprehensive investigations of crystalline systems often require methods bridging atomistic and continuum scales. In this context, coarse-grained mesoscale approaches are of particular interest as they allow the examination of large systems and time scales while retaining some microscopic details. The so-called phase-field crystal (PFC) model conveniently describes crystals at diffusive time scales through a continuous periodic field which varies on atomic scales and is related to the atomic number density. To go beyond the restrictive atomic length scales of the PFC model, a complex amplitude formulation was first developed by Goldenfeld et al (2005 Phys. Rev. E 72 020601). While focusing on length scales larger than the lattice parameter, this approach can describe crystalline defects, interfaces, and lattice deformations. It has been used to examine many phenomena including liquid/solid fronts, grain boundary energies, and strained films. This topical review focuses on this amplitude expansion of the PFC model and its developments. An overview of the derivation, connection to the continuum limit, representative applications, and extensions is presented. A few practical aspects, such as suitable numerical methods and examples, are illustrated as well. Finally, the capabilities and bounds of the model, current challenges, and future perspectives are addressed.
Details
Original language | English |
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Article number | 053001 |
Journal | Modelling and simulation in materials science and engineering |
Volume | 30 |
Issue number | 5 |
Publication status | Published - Jul 2022 |
Peer-reviewed | Yes |
External IDs
ORCID | /0000-0002-4217-0951/work/142237445 |
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Keywords
ASJC Scopus subject areas
Keywords
- amplitude expansion, crystal defects, crystal growth, crystals, elasticity, phase-field-crystal models, plasticity