Optimal design of a model energy conversion device

Collins, Lincoln; Bhattacharya, Kaushik

doi:10.1007/s00158-018-2072-6

Optimal design of a model energy conversion device

Journal Article · Thu Sep 06 00:00:00 EDT 2018 · Structural and Multidisciplinary Optimization

DOI:https://doi.org/10.1007/s00158-018-2072-6· OSTI ID:1473926

Collins, Lincoln ^[1]; ^[2]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
California Inst. of Technology (CalTech), Pasadena, CA (United States)

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.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: NSF; PIRE; USDOE

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1473926

Report Number(s):: SAND--2018-10097J; PII: 2072

Journal Information:: Structural and Multidisciplinary Optimization, Journal Name: Structural and Multidisciplinary Optimization Journal Issue: 2 Vol. 59; ISSN 1615-147X

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

References (28)

An electrical conductivity relaxation study of oxygen transport in samarium doped ceria Gopal, Chirranjeevi Balaji; Haile, Sossina M. J. Mater. Chem. A, Vol. 2, Issue 7 https://doi.org/10.1039/c3ta13404k	journal	January 2014
In Situ Growth of Mesoporous SnO2 on Multiwalled Carbon Nanotubes: A Novel Composite with Porous-Tube Structure as Anode for Lithium Batteries Wen, Z.; Wang, Q.; Zhang, Q. Advanced Functional Materials, Vol. 17, Issue 15 https://doi.org/10.1002/adfm.200600739	journal	October 2007
Synthesis of Hierarchically Porous Carbon Monoliths with Highly Ordered Microstructure and Their Application in Rechargeable Lithium Batteries with High-Rate Capability Hu, Y. -S.; Adelhelm, P.; Smarsly, B. M. Advanced Functional Materials, Vol. 17, Issue 12 https://doi.org/10.1002/adfm.200601152	journal	July 2007
Hierarchically Structured Porous Materials for Energy Conversion and Storage Li, Yu; Fu, Zheng-Yi; Su, Bao-Lian Advanced Functional Materials, Vol. 22, Issue 22 https://doi.org/10.1002/adfm.201200591	journal	July 2012
Novel Three-Dimensional Mesoporous Silicon for High Power Lithium-Ion Battery Anode Material Jia, Haiping; Gao, Pengfei; Yang, Jun Advanced Energy Materials, Vol. 1, Issue 6 https://doi.org/10.1002/aenm.201100485	journal	October 2011
Nanomaterials for Rechargeable Lithium Batteries Bruce, Peter G.; Scrosati, Bruno; Tarascon, Jean-Marie Angewandte Chemie International Edition, Vol. 47, Issue 16, p. 2930-2946 https://doi.org/10.1002/anie.200702505	journal	April 2008
Optimal design and relaxation of variational problems, I Kohn, Robert V.; Strang, Gilbert Communications on Pure and Applied Mathematics, Vol. 39, Issue 1 https://doi.org/10.1002/cpa.3160390107	journal	January 1986
Topology optimization of fluids in Stokes flow Borrvall, Thomas; Petersson, Joakim International Journal for Numerical Methods in Fluids, Vol. 41, Issue 1 https://doi.org/10.1002/fld.426	journal	January 2002
Extensions and applications Bendsøe, Martin P.; Sigmund, Ole Topology Optimization https://doi.org/10.1007/978-3-662-05086-6_2	book	January 2004
An optimal design problem with perimeter penalization Ambrosio, Luigi; Buttazzo, Giuseppe Calculus of Variations and Partial Differential Equations, Vol. 1, Issue 1 https://doi.org/10.1007/BF02163264	journal	March 1993
Topology optimization approaches: A comparative review Sigmund, Ole; Maute, Kurt Structural and Multidisciplinary Optimization, Vol. 48, Issue 6 https://doi.org/10.1007/s00158-013-0978-6	journal	August 2013
A microscopic theory for antiphase boundary motion and its application to antiphase domain coarsening Allen, Samuel M.; Cahn, John W. Acta Metallurgica, Vol. 27, Issue 6 https://doi.org/10.1016/0001-6160(79)90196-2	journal	June 1979
Numerical study of a relaxed variational problem from optimal design Goodman, Jonathan; Kohn, Robert V.; Reyna, Luis Computer Methods in Applied Mechanics and Engineering, Vol. 57, Issue 1 https://doi.org/10.1016/0045-7825(86)90073-3	journal	August 1986
Effect of composition of (La0.8Sr0.2MnO3–Y2O3-stabilized ZrO2) cathodes: Correlating three-dimensional microstructure and polarization resistance Wilson, James R.; Cronin, J. Scott; Duong, Anh T. Journal of Power Sources, Vol. 195, Issue 7 https://doi.org/10.1016/j.jpowsour.2009.09.074	journal	April 2010
Porous cathode optimization for lithium cells: Ionic and electronic conductivity, capacity, and selection of materials Chen, Y. -H.; Wang, C. -W.; Zhang, X. Journal of Power Sources, Vol. 195, Issue 9 https://doi.org/10.1016/j.jpowsour.2009.11.044	journal	May 2010
Impact of pore microstructure evolution on polarization resistance of Ni-Yttria-stabilized zirconia fuel cell anodes Cronin, J. Scott; Wilson, James R.; Barnett, Scott A. Journal of Power Sources, Vol. 196, Issue 5 https://doi.org/10.1016/j.jpowsour.2010.10.084	journal	March 2011
Influence of porous composite microstructure on the processing and properties of solid oxide fuel cell anodes Clemmer, R. Solid State Ionics, Vol. 166, Issue 3-4 https://doi.org/10.1016/j.ssi.2003.12.009	journal	January 2004
Evaluation of the relationship between cathode microstructure and electrochemical behavior for SOFCs Smith, J. R.; Chen, A.; Gostovic, D. Solid State Ionics, Vol. 180, Issue 1 https://doi.org/10.1016/j.ssi.2008.10.017	journal	February 2009
Advanced anodes for high-temperature fuel cells Atkinson, A.; Barnett, S.; Gorte, R. J. Nature Materials, Vol. 3, Issue 1 https://doi.org/10.1038/nmat1040	journal	January 2004
Nanostructured materials for advanced energy conversion and storage devices Aricò, Antonino Salvatore; Bruce, Peter; Scrosati, Bruno Nature Materials, Vol. 4, Issue 5, p. 366-377 https://doi.org/10.1038/nmat1368	journal	May 2005
Three-dimensional reconstruction of a solid-oxide fuel-cell anode Wilson, James R.; Kobsiriphat, Worawarit; Mendoza, Roberto Nature Materials, Vol. 5, Issue 7 https://doi.org/10.1038/nmat1668	journal	June 2006
Inverse opal ceria–zirconia: architectural engineering for heterogeneous catalysis Umeda, Grant A.; Chueh, William C.; Noailles, Liam Energy & Environmental Science, Vol. 1, Issue 4 https://doi.org/10.1039/b810641j	journal	January 2008
High electrode activity of nanostructured, columnar ceria films for solid oxide fuel cells Jung, WooChul; Dereux, Julien O.; Chueh, William C. Energy & Environmental Science, Vol. 5, Issue 9 https://doi.org/10.1039/c2ee22151a	journal	January 2012
Design-dependent loads in topology optimization Bourdin, Blaise; Chambolle, Antonin ESAIM: Control, Optimisation and Calculus of Variations, Vol. 9 https://doi.org/10.1051/cocv:2002070	journal	January 2003
Impact of Anode Microstructure on Solid Oxide Fuel Cells Suzuki, T.; Hasan, Z.; Funahashi, Y. Science, Vol. 325, Issue 5942 https://doi.org/10.1126/science.1176404	journal	August 2009
High-Flux Solar-Driven Thermochemical Dissociation of CO2 and H2O Using Nonstoichiometric Ceria Chueh, W. C.; Falter, C.; Abbott, M. Science, Vol. 330, Issue 6012 https://doi.org/10.1126/science.1197834	journal	December 2010
Advanced anodes for high-temperature fuel cells Atkinson, A.; Barnett, S.; Gorte, R. J. Materials for Sustainable Energy, p. 213*-223 https://doi.org/10.1142/9789814317665_0030	book	October 2010
Modeling 3D Microstructure and Ion Transport in Porous Li-Ion Battery Electrodes Stephenson, David E.; Walker, Bryce C.; Skelton, Cole B. Journal of The Electrochemical Society, Vol. 158, Issue 7 https://doi.org/10.1149/1.3579996	journal	January 2011