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Title: Optimal design of a model energy conversion device

Abstract

Fuel cells, batteries, and thermochemical and other energy conversion devices involve the transport of a number of (electro-) chemical species through distinct materials so that they can meet and react at specified multi-material interfaces. Therefore, morphology or arrangement of these different materials can be critical in the performance of an energy conversion device. In this paper, we study a model problem motivated by a solar-driven thermochemical conversion device that splits water into hydrogen and oxygen. We formulate the problem as a system of coupled multi-material reaction-diffusion equations where each species diffuses selectively through a given material and where the reaction occurs at multi-material interfaces. In conclusion, we introduce a phase-field formulation of the optimal design problem and numerically study selected examples.

Authors:
 [1]; ORCiD logo [2]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  2. California Inst. of Technology (CalTech), Pasadena, CA (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
National Science Foundation (NSF); PIRE; USDOE
OSTI Identifier:
1473926
Report Number(s):
SAND-2018-10097J
Journal ID: ISSN 1615-147X; PII: 2072
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Accepted Manuscript
Journal Name:
Structural and Multidisciplinary Optimization
Additional Journal Information:
Journal Volume: 59; Journal Issue: 2; Journal ID: ISSN 1615-147X
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
30 DIRECT ENERGY CONVERSION; Energy convergence device; Phase field approach; Reaction-diffusion equations; Thermal hydrolysis; Interfacial reactions

Citation Formats

Collins, Lincoln, and Bhattacharya, Kaushik. Optimal design of a model energy conversion device. United States: N. p., 2018. Web. doi:10.1007/s00158-018-2072-6.
Collins, Lincoln, & Bhattacharya, Kaushik. Optimal design of a model energy conversion device. United States. doi:10.1007/s00158-018-2072-6.
Collins, Lincoln, and Bhattacharya, Kaushik. Thu . "Optimal design of a model energy conversion device". United States. doi:10.1007/s00158-018-2072-6. https://www.osti.gov/servlets/purl/1473926.
@article{osti_1473926,
title = {Optimal design of a model energy conversion device},
author = {Collins, Lincoln and Bhattacharya, Kaushik},
abstractNote = {Fuel cells, batteries, and thermochemical and other energy conversion devices involve the transport of a number of (electro-) chemical species through distinct materials so that they can meet and react at specified multi-material interfaces. Therefore, morphology or arrangement of these different materials can be critical in the performance of an energy conversion device. In this paper, we study a model problem motivated by a solar-driven thermochemical conversion device that splits water into hydrogen and oxygen. We formulate the problem as a system of coupled multi-material reaction-diffusion equations where each species diffuses selectively through a given material and where the reaction occurs at multi-material interfaces. In conclusion, we introduce a phase-field formulation of the optimal design problem and numerically study selected examples.},
doi = {10.1007/s00158-018-2072-6},
journal = {Structural and Multidisciplinary Optimization},
number = 2,
volume = 59,
place = {United States},
year = {2018},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Figures / Tables:

Figure 1 Figure 1: The physical setting: chemical species 1 enters through the source $∂_1Ω$, diffuses through $Ω_1$, is converted to chemical species 2 through a surface reaction at the interface $\mathcal{S}$, chemical species 2 diffuses through $Ω_2$ and leaves through the sink $∂_2Ω$.

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