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A numerical method for finite-strain mechanochemistry with localised chemical reactions treated using a Nitsche approach
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Poluektov, Mikhail and Figiel, Lukasz (2019) A numerical method for finite-strain mechanochemistry with localised chemical reactions treated using a Nitsche approach. Computational Mechanics, 63 (5). pp. 885-911. doi:10.1007/s00466-018-1628-z ISSN 0178-7675.
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WRAP-numerical-method-finite-strain-mechanochemistry-localised-Poluektov-2018.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution 4.0. Download (2170Kb) | Preview |
Official URL: http://dx.doi.org/10.1007/s00466-018-1628-z
Abstract
In this paper, a novel finite-element based method for finite-strain mechanochemistry with moving reaction fronts, which separate the chemically transformed and the untransformed phases, is proposed. The reaction front cuts through the finite elements and moves independently of the finite-element mesh, thereby removing the necessity for remeshing. The proposed method solves the coupled mechanics-diffusion–reaction problem. In the mechanical part of the problem, the force equilibrium and the displacement continuity conditions at the reaction front are enforced weakly using a Nitsche-like method. The formulation is applicable to the case of large deformations and arbitrary constitutive behaviour, and is also consistent with the minimisation of the total potential energy.
Item Type: | Journal Article | ||||||||
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Subjects: | Q Science > QD Chemistry | ||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Engineering > WMG (Formerly the Warwick Manufacturing Group) | ||||||||
Library of Congress Subject Headings (LCSH): | Mechanical chemistry, Finite element method, Interfaces (Physical sciences) | ||||||||
Journal or Publication Title: | Computational Mechanics | ||||||||
Publisher: | Springer | ||||||||
ISSN: | 0178-7675 | ||||||||
Official Date: | May 2019 | ||||||||
Dates: |
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Volume: | 63 | ||||||||
Number: | 5 | ||||||||
Page Range: | pp. 885-911 | ||||||||
DOI: | 10.1007/s00466-018-1628-z | ||||||||
Status: | Peer Reviewed | ||||||||
Publication Status: | Published | ||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||
Date of first compliant deposit: | 22 October 2018 | ||||||||
Date of first compliant Open Access: | 23 October 2018 | ||||||||
RIOXX Funder/Project Grant: |
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