Bollada, PC, Jimack, PK and Mullis, AM orcid.org/0000-0002-5215-9959 (2021) A vertex based approach to crystal facet modelling in phase field. Computational Materials Science, 192. 110331. ISSN 0927-0256
Abstract
This paper seeks a vertex based approach to faceted anisotropy in phase field modelling of crystal growth. We examine Wulff shapes and the connection they have with phase field formulations. On inspecting current approaches to modelling facets within phase field we observe that there are two distinct approaches: one implements the faceting purely in the kinetic parameter thus avoiding the complications of taking gradients of discontinuous functions; while the second is based upon regularisation of the anisotropy function within the free energy function. Armed with our new insight into the operation of anisotropy within phase field we refine the second of these and advocate a vertex based approach to facet anisotropy modelling. Results include regular and irregular morphologies and hill-valley growth. We also present high undercooling effects on faceting, which can cause breaks in facets and, in the case of irregular shapes, distortion of the underlying Wulff shape.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2021 The Authors. This is an open access article under the terms of the Creative Commons Attribution 4.0 International License (CC BY 4.0) (https://creativecommons.org/licenses/by/4.0/) |
Keywords: | Crystal growth; Phase field; Anisotropy; Facets |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemical & Process Engineering (Leeds) |
Funding Information: | Funder Grant number EPSRC (Engineering and Physical Sciences Research Council) EP/N007638/1 |
Depositing User: | Symplectic Publications |
Date Deposited: | 05 Feb 2021 14:51 |
Last Modified: | 25 Jun 2023 22:34 |
Status: | Published |
Publisher: | Elsevier |
Identification Number: | 10.1016/j.commatsci.2021.110331 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:170788 |