Reduced mixture model and elastic response of chemically swollen solids: Application to Si oxidation and lithiation

This paper presents a mixture model for coupled chemo-mechanical response of the general class of fluid-solid systems undergoing chemical reaction and large deformations. It further investigates our earlier works on the mathematical modeling of chemo-mechanical coupling and material evolution across...

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Autores principales:	Marcelino Anguiano, Arif Masud
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	Mixture models Chemically reacting fluids Chemical swelling Large deformations Thermal oxidation Lithiation Engineering (General). Civil engineering (General) TA1-2040
Acceso en línea:	https://doaj.org/article/b281c4a4adde40fe9b767038614239a7
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spelling	oai:doaj.org-article:b281c4a4adde40fe9b767038614239a72021-12-01T05:05:58ZReduced mixture model and elastic response of chemically swollen solids: Application to Si oxidation and lithiation2666-496810.1016/j.apples.2021.100039https://doaj.org/article/b281c4a4adde40fe9b767038614239a72021-06-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S2666496821000054https://doaj.org/toc/2666-4968This paper presents a mixture model for coupled chemo-mechanical response of the general class of fluid-solid systems undergoing chemical reaction and large deformations. It further investigates our earlier works on the mathematical modeling of chemo-mechanical coupling and material evolution across advancing fronts of reactive fluids. A detailed analysis of the stress response of the chemically evolving solid is carried out, taking into account the changes in the reference unstressed configurations of the unreacted and reacted solid. This yields a systematic way to determine the material parameters required for the material constitutive models. The formulation for the fluid constituent is simplified for the case of slow diffusion, which yields a reduced system of governing equations wherein coercivity of the continuum system is inherited by the discrete system. The resulting nonlinear model lends itself to consistent linearization and is implemented in a finite element method. The nonlinear system of coupled equations is solved monolithically using the Newton-Raphson algorithm and quadratic convergence is attained. The method is applied to investigate the bending-dominated response of a silicon wafer during thermal oxidation, and to the problem of cross-section evolution during lithiation of a silicon nanowire.Marcelino AnguianoArif MasudElsevierarticleMixture modelsChemically reacting fluidsChemical swellingLarge deformationsThermal oxidationLithiationEngineering (General). Civil engineering (General)TA1-2040ENApplications in Engineering Science, Vol 6, Iss , Pp 100039- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Mixture models Chemically reacting fluids Chemical swelling Large deformations Thermal oxidation Lithiation Engineering (General). Civil engineering (General) TA1-2040
spellingShingle	Mixture models Chemically reacting fluids Chemical swelling Large deformations Thermal oxidation Lithiation Engineering (General). Civil engineering (General) TA1-2040 Marcelino Anguiano Arif Masud Reduced mixture model and elastic response of chemically swollen solids: Application to Si oxidation and lithiation
description	This paper presents a mixture model for coupled chemo-mechanical response of the general class of fluid-solid systems undergoing chemical reaction and large deformations. It further investigates our earlier works on the mathematical modeling of chemo-mechanical coupling and material evolution across advancing fronts of reactive fluids. A detailed analysis of the stress response of the chemically evolving solid is carried out, taking into account the changes in the reference unstressed configurations of the unreacted and reacted solid. This yields a systematic way to determine the material parameters required for the material constitutive models. The formulation for the fluid constituent is simplified for the case of slow diffusion, which yields a reduced system of governing equations wherein coercivity of the continuum system is inherited by the discrete system. The resulting nonlinear model lends itself to consistent linearization and is implemented in a finite element method. The nonlinear system of coupled equations is solved monolithically using the Newton-Raphson algorithm and quadratic convergence is attained. The method is applied to investigate the bending-dominated response of a silicon wafer during thermal oxidation, and to the problem of cross-section evolution during lithiation of a silicon nanowire.
format	article
author	Marcelino Anguiano Arif Masud
author_facet	Marcelino Anguiano Arif Masud
author_sort	Marcelino Anguiano
title	Reduced mixture model and elastic response of chemically swollen solids: Application to Si oxidation and lithiation
title_short	Reduced mixture model and elastic response of chemically swollen solids: Application to Si oxidation and lithiation
title_full	Reduced mixture model and elastic response of chemically swollen solids: Application to Si oxidation and lithiation
title_fullStr	Reduced mixture model and elastic response of chemically swollen solids: Application to Si oxidation and lithiation
title_full_unstemmed	Reduced mixture model and elastic response of chemically swollen solids: Application to Si oxidation and lithiation
title_sort	reduced mixture model and elastic response of chemically swollen solids: application to si oxidation and lithiation
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/b281c4a4adde40fe9b767038614239a7
work_keys_str_mv	AT marcelinoanguiano reducedmixturemodelandelasticresponseofchemicallyswollensolidsapplicationtosioxidationandlithiation AT arifmasud reducedmixturemodelandelasticresponseofchemicallyswollensolidsapplicationtosioxidationandlithiation
_version_	1718405565493805056

Reduced mixture model and elastic response of chemically swollen solids: Application to Si oxidation and lithiation

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