{"id":984,"date":"2026-07-31T19:50:31","date_gmt":"2026-08-01T00:50:31","guid":{"rendered":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/?p=984"},"modified":"2026-07-31T19:51:04","modified_gmt":"2026-08-01T00:51:04","slug":"surya-mitra-ayalasomayajula-daniel-cogswell-debbie-zhuang-r-edwin-garcia-performance-benchmarks-for-open-source-porous-electrode-theory-models-heliyon-107e27830-2024","status":"publish","type":"post","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2026\/07\/31\/surya-mitra-ayalasomayajula-daniel-cogswell-debbie-zhuang-r-edwin-garcia-performance-benchmarks-for-open-source-porous-electrode-theory-models-heliyon-107e27830-2024\/","title":{"rendered":"Surya Mitra Ayalasomayajula, Daniel Cogswell, Debbie Zhuang, R Edwin Garc\u00eda “Performance benchmarks for open source porous electrode theory models.” Heliyon. 10(7):e27830, 2024."},"content":{"rendered":"\n

Surya Mitra Ayalasomayajula, Daniel Cogswell, Debbie Zhuang, R Edwin Garc\u00eda “Performance benchmarks for open source porous electrode theory models.<\/em>” Heliyon<\/strong>. 10(7):e27830, 2024. https:\/\/doi.org\/10.1016\/j.heliyon.2024.e27830<\/a><\/p>\n\n\n\n

Abstract<\/h2>\n\n\n\n

The electrochemical response characteristics of existing and emerging porous electrode theory (PET) models was benchmarked to establish a common basis to assess their physical reaches, limitations, and accuracy. Three open source PET models: dualfoil, MPET, and LIONSIMBA were compared to simulate the discharge of a LiMn2<\/sub>O4<\/sub>-graphite cell against experimental data. For C-rates below 2C, the simulated discharge voltage curves matched the experimental data within 4% deviation for dualfoil, MPET, and LIONSIMBA, while for C-rates above 3C, dualfoil and MPET show smaller deviations, within 5%, against experiments. The electrochemical profiles of all three codes exhibit significant qualitative differences, despite showing the same macroscopic voltage response, leading the user to different conclusions regarding the battery performance and possible degradation mechanisms of the analyzed system.<\/p>\n","protected":false},"excerpt":{"rendered":"

Surya Mitra Ayalasomayajula, Daniel Cogswell, Debbie Zhuang, R Edwin Garc\u00eda “Performance benchmarks…<\/p>\n

Continue reading “Surya Mitra Ayalasomayajula, Daniel Cogswell, Debbie Zhuang, R Edwin Garc\u00eda “Performance benchmarks for open source porous electrode theory models.” Heliyon. 10(7):e27830, 2024.”<\/span>…<\/a><\/div>\n
Continue reading \"Surya Mitra Ayalasomayajula, Daniel Cogswell, Debbie Zhuang, R Edwin Garc\u00eda “Performance benchmarks for open source porous electrode theory models.” Heliyon. 10(7):e27830, 2024.\"<\/span>…<\/a><\/div>","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"advanced_seo_description":"","jetpack_seo_html_title":"","jetpack_seo_noindex":false,"jetpack_seo_schema_type":"","_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"footnotes":""},"categories":[45],"tags":[9,6],"class_list":["post-984","post","type-post","status-publish","format-standard","hentry","category-papers","tag-batteries","tag-electrochemistry","entry"],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/peeeSR-fS","jetpack_likes_enabled":true,"jetpack-related-posts":[{"id":939,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2022\/08\/04\/y-sun-s-mitra-ayalasomayajula-a-deva-g-lin-r-edwin-garcia-artificial-intelligence-inferred-microstructural-properties-from-voltage-capacity-curves-scientific-reports-1213421\/","url_meta":{"origin":984,"position":0},"title":"Y. Sun, S. Mitra Ayalasomayajula, A. Deva, G. Lin & R. Edwin Garc\u00eda “Artificial intelligence inferred microstructural properties from voltage\u2013capacity curves.” Scientific Reports. 12:13421, 2022.","author":"redwing","date":"08\/04\/2022","format":false,"excerpt":"Y. Sun, S. Mitra Ayalasomayajula, A. Deva, G. Lin & R. Edwin Garc\u00eda \"Artificial intelligence inferred microstructural properties from voltage\u2013capacity curves.\" Scientific Reports. 12:13421, 2022. https:\/\/doi.org\/10.1038\/s41598-022-16942-5 Abstract The quantification of microstructural properties to optimize battery design and performance, to maintain product quality, or to track the degradation of LIBs remains\u2026","rel":"","context":"In "Papers"","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":980,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2026\/07\/31\/meghana-sudarshan-alexey-serov-casey-jones-surya-mitra-ayalasomayajula-r-edwin-garcia-vikas-tomar-data-driven-autoencoder-neural-network-for-onboard-bms-lithium-ion-battery-degradation-predicti\/","url_meta":{"origin":984,"position":1},"title":"Meghana Sudarshan, Alexey Serov, Casey Jones, Surya Mitra Ayalasomayajula, R Edwin Garc\u00eda, Vikas Tomar “Data-driven autoencoder neural network for onboard BMS Lithium-ion battery degradation prediction.” Journal of Energy Storage. 82:110575, 2024.","author":"redwing","date":"07\/31\/2026","format":false,"excerpt":"Meghana Sudarshan, Alexey Serov, Casey Jones, Surya Mitra Ayalasomayajula, R Edwin Garc\u00eda, Vikas Tomar \"Data-driven autoencoder neural network for onboard BMS Lithium-ion battery degradation prediction.\" Journal of Energy Storage. 82:110575, 2024. https:\/\/doi.org\/10.1016\/j.est.2024.110575 Abstract An\u00a0autoencoder\u00a0based\u00a0neural network architecture, CD-Net, is proposed to predict Lithium-ion\u00a0battery\u00a0capacity degradation as a function of operation time as\u2026","rel":"","context":"In "Papers"","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":978,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2026\/07\/31\/alfredo-sanjuan-a-surya-mitra-r-edwin-garcia-sei-coated-carbon-particles-electrochemomechanical-fracture-mechanisms-journal-of-the-electrochemical-society-1712-020529-2024\/","url_meta":{"origin":984,"position":2},"title":"Alfredo Sanjuan, A Surya Mitra, R Edwin Garc\u00eda “SEI-coated carbon particles: electrochemomechanical fracture mechanisms.” Journal of The Electrochemical Society. 171(2): 020529, 2024.","author":"redwing","date":"07\/31\/2026","format":false,"excerpt":"Alfredo Sanjuan, A Surya Mitra, R Edwin Garc\u00eda \"SEI-coated carbon particles: electrochemomechanical fracture mechanisms.\" Journal of The Electrochemical Society. 171(2): 020529, 2024.https:\/\/doi.org\/10.1149\/1945-7111\/ad1d92 Abstract By starting from fundamental physical principles, a generalized theoretical framework was developed to engineer the intercalation-induced mechanical degradation in SEI-coated carbon particles from the surrounding electrolyte in\u2026","rel":"","context":"In "Papers"","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":892,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2021\/04\/03\/a-deva-v-krs-l-robison-c-adorf-b-benes-s-c-glotzer-and-r-edwin-garcia-data-driven-analytics-of-porous-battery-microstructures-energy-environmental-science-march-2021\/","url_meta":{"origin":984,"position":3},"title":"A. Deva, V. Krs, L. Robinson, C. Adorf, B. Benes, S. C. Glotzer and R. Edwin Garc\u00eda “Data Driven Analytics of Porous Battery Microstructures” Energy & Environmental Science. 14:2485, 2021.","author":"redwing","date":"04\/03\/2021","format":false,"excerpt":"A. Deva, V. Krs, L. Robinson, C. Adorf, B. Benes, S. C. Glotzer and R. Edwin Garc\u00eda \"Data Driven Analytics of Porous Battery Microstructures.\"\u00a0Energy & Environmental Science. 14:2485, 2021.\u00a0https:\/\/doi.org\/10.1039\/D1EE00454A abstract The microstructural optimization of porous lithium ion battery electrodes has traditionally been driven by experimental trial and error efforts, based\u2026","rel":"","context":"In "Papers"","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":488,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2017\/11\/04\/d-w-chung-pr-shearing-np-brandon-sj-harris-re-garcia-particle-size-polydispersity-in-li-ion-batteries-journal-of-the-electrochemical-society-1613a422-a430-2014\/","url_meta":{"origin":984,"position":4},"title":"D-W Chung, PR Shearing, NP Brandon, SJ Harris, RE Garc\u00eda “Particle Size Polydispersity in Li-Ion Batteries.”\u00a0Journal of The Electrochemical Society, 161(3):A422-A430, 2014.","author":"redwing","date":"11\/04\/2017","format":false,"excerpt":"D-W Chung, PR Shearing, NP Brandon, SJ Harris, RE Garc\u00eda \"Particle Size Polydispersity in Li-Ion Batteries.\"\u00a0Journal of The Electrochemical Society, 161(3):A422-A430, 2014. Abstract Starting from three-dimensional X-ray tomography data of a commercial LiMn2O4\u2009battery electrode, the effect of microstructure on the electrochemical and chemo-mechanical response of lithium-ion batteries is analyzed. Simulations\u2026","rel":"","context":"In "Papers"","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":479,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2017\/11\/04\/d-w-chung-m-ebner-dr-ely-v-wood-re-garcia-validity-of-the-bruggeman-relation-for-porous-electrodes-modelling-and-simulation-in-materials-science-and-engineering-217074009-2013\/","url_meta":{"origin":984,"position":5},"title":"D-W Chung, M Ebner, DR Ely, V Wood, RE Garc\u00eda “Validity of the Bruggeman relation for porous electrodes.”\u00a0Modelling and Simulation in Materials Science and Engineering. 21(7):074009, 2013.","author":"redwing","date":"11\/04\/2017","format":false,"excerpt":"D-W Chung, M Ebner, DR Ely, V Wood, RE Garc\u00eda \"Validity of the Bruggeman relation for porous electrodes.\"\u00a0Modelling and Simulation in Materials Science and Engineering. 21(7):074009, 2013. Abstract The ability to engineer electrode microstructures to increase power and energy densities is critical to the development of high-energy density lithium-ion batteries.\u2026","rel":"","context":"In "Papers"","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]}],"_links":{"self":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/984","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/comments?post=984"}],"version-history":[{"count":2,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/984\/revisions"}],"predecessor-version":[{"id":986,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/984\/revisions\/986"}],"wp:attachment":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/media?parent=984"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/categories?post=984"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/tags?post=984"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}