{"id":"https://openalex.org/W7224090549","doi":"https://doi.org/10.1016/j.jpowsour.2026.241790","title":"Inverse design of lithium-ion battery microstructures using physics-constrained generative AI","display_name":"Inverse design of lithium-ion battery microstructures using physics-constrained generative AI","publication_year":2026,"publication_date":"2026-10-28","ids":{"openalex":"https://openalex.org/W7224090549","doi":"https://doi.org/10.1016/j.jpowsour.2026.241790"},"language":"en","primary_location":{"id":"doi:10.1016/j.jpowsour.2026.241790","doi":"https://doi.org/10.1016/j.jpowsour.2026.241790","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.jpowsour.2026.241790","pdf_url":null,"source":{"id":"https://openalex.org/S177147899","display_name":"Journal of Power Sources","issn_l":"0378-7753","issn":["0378-7753","1873-2755"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","ki-jl-1","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Power Sources","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1016/j.jpowsour.2026.241790","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5043234096","display_name":"Azamat Zhaksylykov","orcid":"https://orcid.org/0009-0003-4007-6413","observed_orcids":["https://orcid.org/0009-0003-4007-6413"]},"institutions":[{"id":"https://openalex.org/I60559429","display_name":"Nazarbayev University","ror":"https://ror.org/052bx8q98","country_code":"KZ","type":"education","lineage":["https://openalex.org/I60559429"]}],"countries":["KZ"],"is_corresponding":false,"raw_author_name":"Azamat Zhaksylykov","raw_affiliation_strings":["Department of Chemistry, School of Sciences and Humanities, Nazarbayev University, Astana, Kazakhstan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, School of Sciences and Humanities, Nazarbayev University, Astana, Kazakhstan","institution_ids":["https://openalex.org/I60559429"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5145702745","display_name":"Daulet Tazhbagambetov","orcid":"https://orcid.org/0009-0004-2601-0335","observed_orcids":["https://orcid.org/0009-0004-2601-0335"]},"institutions":[{"id":"https://openalex.org/I60559429","display_name":"Nazarbayev University","ror":"https://ror.org/052bx8q98","country_code":"KZ","type":"education","lineage":["https://openalex.org/I60559429"]}],"countries":["KZ"],"is_corresponding":false,"raw_author_name":"Daulet Tazhbagambetov","raw_affiliation_strings":["School of Computing and Artificial Intelligence, Nazarbayev University, Astana, Kazakhstan"],"raw_orcid":"https://orcid.org/0009-0004-2601-0335","affiliations":[{"raw_affiliation_string":"School of Computing and Artificial Intelligence, Nazarbayev University, Astana, Kazakhstan","institution_ids":["https://openalex.org/I60559429"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5122346969","display_name":"Diar Demeubay","orcid":"https://orcid.org/0009-0006-7885-2678","observed_orcids":["https://orcid.org/0009-0006-7885-2678"]},"institutions":[{"id":"https://openalex.org/I60559429","display_name":"Nazarbayev University","ror":"https://ror.org/052bx8q98","country_code":"KZ","type":"education","lineage":["https://openalex.org/I60559429"]}],"countries":["KZ"],"is_corresponding":false,"raw_author_name":"Diar Demeubay","raw_affiliation_strings":["School of Computing and Artificial Intelligence, Nazarbayev University, Astana, Kazakhstan"],"raw_orcid":"https://orcid.org/0009-0006-7885-2678","affiliations":[{"raw_affiliation_string":"School of Computing and Artificial Intelligence, Nazarbayev University, Astana, Kazakhstan","institution_ids":["https://openalex.org/I60559429"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020425954","display_name":"Aliya Toleuova","orcid":"https://orcid.org/0000-0001-6563-8038","observed_orcids":["https://orcid.org/0000-0001-6563-8038"]},"institutions":[{"id":"https://openalex.org/I60559429","display_name":"Nazarbayev University","ror":"https://ror.org/052bx8q98","country_code":"KZ","type":"education","lineage":["https://openalex.org/I60559429"]}],"countries":["KZ"],"is_corresponding":false,"raw_author_name":"Aliya Toleuova","raw_affiliation_strings":["Department of Chemistry, School of Sciences and Humanities, Nazarbayev University, Astana, Kazakhstan"],"raw_orcid":"https://orcid.org/0000-0001-6563-8038","affiliations":[{"raw_affiliation_string":"Department of Chemistry, School of Sciences and Humanities, Nazarbayev University, Astana, Kazakhstan","institution_ids":["https://openalex.org/I60559429"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013760704","display_name":"Iliyas Tursynbek","orcid":"https://orcid.org/0000-0003-3753-9969","observed_orcids":["https://orcid.org/0000-0003-3753-9969"]},"institutions":[{"id":"https://openalex.org/I60559429","display_name":"Nazarbayev University","ror":"https://ror.org/052bx8q98","country_code":"KZ","type":"education","lineage":["https://openalex.org/I60559429"]}],"countries":["KZ"],"is_corresponding":false,"raw_author_name":"Iliyas Tursynbek","raw_affiliation_strings":["School of Computing and Artificial Intelligence, Nazarbayev University, Astana, Kazakhstan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computing and Artificial Intelligence, Nazarbayev University, Astana, Kazakhstan","institution_ids":["https://openalex.org/I60559429"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5026632762","display_name":"Assiya Yermukhambetova","orcid":"https://orcid.org/0000-0003-2912-6806","observed_orcids":["https://orcid.org/0000-0003-2912-6806"]},"institutions":[{"id":"https://openalex.org/I60559429","display_name":"Nazarbayev University","ror":"https://ror.org/052bx8q98","country_code":"KZ","type":"education","lineage":["https://openalex.org/I60559429"]}],"countries":["KZ"],"is_corresponding":true,"raw_author_name":"Assiya Yermukhambetova","raw_affiliation_strings":["Department of Chemical and Materials Engineering, School of Engineering, Nazarbayev University, Astana, Kazakhstan","PI Nazarbayev University Research Administration, Nazarbayev University, Astana, Kazakhstan"],"raw_orcid":"https://orcid.org/0000-0003-2912-6806","affiliations":[{"raw_affiliation_string":"Department of Chemical and Materials Engineering, School of Engineering, Nazarbayev University, Astana, Kazakhstan","institution_ids":["https://openalex.org/I60559429"]},{"raw_affiliation_string":"PI Nazarbayev University Research Administration, Nazarbayev University, Astana, Kazakhstan","institution_ids":["https://openalex.org/I60559429"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5026632762"],"corresponding_institution_ids":["https://openalex.org/I60559429"],"apc_list":{"value":4230,"currency":"USD","value_usd":4230},"apc_paid":{"value":4230,"currency":"USD","value_usd":4230},"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.74868981,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"699","issue":null,"first_page":"241790","last_page":"241790"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10018","display_name":"Advancements in Battery Materials","score":0.9199000000953674,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10018","display_name":"Advancements in Battery Materials","score":0.9199000000953674,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.050999999046325684,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10663","display_name":"Advanced Battery Technologies Research","score":0.026200000196695328,"subfield":{"id":"https://openalex.org/subfields/2203","display_name":"Automotive Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/lithium-ion-battery-electrodes","display_name":"lithium-ion battery electrodes","score":0.7540000081062317},{"id":"https://openalex.org/keywords/generative-adversarial-networks","display_name":"generative adversarial networks","score":0.7580000162124634},{"id":"https://openalex.org/keywords/nmc532-cathode","display_name":"NMC532 cathode","score":0.9729999899864197},{"id":"https://openalex.org/keywords/porous-electrode-microstructure","display_name":"porous electrode microstructure","score":0.7730000019073486},{"id":"https://openalex.org/keywords/tortuosity","display_name":"tortuosity","score":0.8899999856948853},{"id":"https://openalex.org/keywords/porosity","display_name":"porosity","score":0.9120000004768372},{"id":"https://openalex.org/keywords/structure-transport-relationship","display_name":"structure-transport relationship","score":0.9509999752044678},{"id":"https://openalex.org/keywords/digital-twin","display_name":"digital twin","score":0.5910000205039978}],"concepts":[{"id":"https://openalex.org/C555008776","wikidata":"https://www.wikidata.org/wiki/Q267298","display_name":"Battery (electricity)","level":3,"score":0.6879000067710876},{"id":"https://openalex.org/C39890363","wikidata":"https://www.wikidata.org/wiki/Q36108","display_name":"Generative grammar","level":2,"score":0.5637999773025513},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5591999888420105},{"id":"https://openalex.org/C207467116","wikidata":"https://www.wikidata.org/wiki/Q4385666","display_name":"Inverse","level":2,"score":0.48820000886917114},{"id":"https://openalex.org/C135252773","wikidata":"https://www.wikidata.org/wiki/Q1567213","display_name":"Inverse problem","level":2,"score":0.40540000796318054},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.398499995470047},{"id":"https://openalex.org/C49110097","wikidata":"https://www.wikidata.org/wiki/Q175233","display_name":"Cathode","level":2,"score":0.382099986076355},{"id":"https://openalex.org/C185250623","wikidata":"https://www.wikidata.org/wiki/Q2301683","display_name":"Tortuosity","level":3,"score":0.36820000410079956},{"id":"https://openalex.org/C62126406","wikidata":"https://www.wikidata.org/wiki/Q1681365","display_name":"Consumables","level":2,"score":0.3662000000476837},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3481000065803528},{"id":"https://openalex.org/C87976508","wikidata":"https://www.wikidata.org/wiki/Q1498213","display_name":"Microstructure","level":2,"score":0.34709998965263367},{"id":"https://openalex.org/C167966045","wikidata":"https://www.wikidata.org/wiki/Q5532625","display_name":"Generative model","level":3,"score":0.32580000162124634},{"id":"https://openalex.org/C2780992000","wikidata":"https://www.wikidata.org/wiki/Q17016113","display_name":"Generator (circuit theory)","level":3,"score":0.32510000467300415},{"id":"https://openalex.org/C2776036281","wikidata":"https://www.wikidata.org/wiki/Q48769818","display_name":"Constraint (computer-aided design)","level":2,"score":0.31850001215934753},{"id":"https://openalex.org/C6648577","wikidata":"https://www.wikidata.org/wiki/Q622669","display_name":"Porosity","level":2,"score":0.30160000920295715},{"id":"https://openalex.org/C17525397","wikidata":"https://www.wikidata.org/wiki/Q176140","display_name":"Electrode","level":2,"score":0.2944999933242798},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","level":1,"score":0.2906999886035919},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.28999999165534973},{"id":"https://openalex.org/C133731056","wikidata":"https://www.wikidata.org/wiki/Q4917288","display_name":"Control engineering","level":1,"score":0.2685000002384186},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.2646999955177307},{"id":"https://openalex.org/C117251300","wikidata":"https://www.wikidata.org/wiki/Q1849855","display_name":"Parametric statistics","level":2,"score":0.25920000672340393},{"id":"https://openalex.org/C113843644","wikidata":"https://www.wikidata.org/wiki/Q901882","display_name":"Interface (matter)","level":4,"score":0.25760000944137573},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.2558000087738037},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.2529999911785126}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.jpowsour.2026.241790","doi":"https://doi.org/10.1016/j.jpowsour.2026.241790","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.jpowsour.2026.241790","pdf_url":null,"source":{"id":"https://openalex.org/S177147899","display_name":"Journal of Power Sources","issn_l":"0378-7753","issn":["0378-7753","1873-2755"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","ki-jl-1","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Power Sources","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1016/j.jpowsour.2026.241790","doi":"https://doi.org/10.1016/j.jpowsour.2026.241790","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.jpowsour.2026.241790","pdf_url":null,"source":{"id":"https://openalex.org/S177147899","display_name":"Journal of Power Sources","issn_l":"0378-7753","issn":["0378-7753","1873-2755"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","ki-jl-1","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Power Sources","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.9090999960899353,"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7"},{"score":0.5378999710083008,"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9"}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4162953165","display_name":"Ministry of Science and Higher Education of the Republic of Kazakhstan","ror":"https://ror.org/05tyne317"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":21,"referenced_works":["https://openalex.org/W1949231392","https://openalex.org/W2066988889","https://openalex.org/W2113449668","https://openalex.org/W2158531968","https://openalex.org/W2796568833","https://openalex.org/W2898767632","https://openalex.org/W2999340876","https://openalex.org/W3023688594","https://openalex.org/W3037979004","https://openalex.org/W3125934115","https://openalex.org/W3151042244","https://openalex.org/W4384993245","https://openalex.org/W4385698695","https://openalex.org/W4391890455","https://openalex.org/W4404694238","https://openalex.org/W4409979833","https://openalex.org/W4414104642","https://openalex.org/W4416197552","https://openalex.org/W4416767372","https://openalex.org/W7140173445","https://openalex.org/W7147100949"],"related_works":["https://openalex.org/W7165193039","https://openalex.org/W7199050221","https://openalex.org/W4417160798","https://openalex.org/W3116211238","https://openalex.org/W4414104642","https://openalex.org/W3123825553","https://openalex.org/W4402741065","https://openalex.org/W7160400827","https://openalex.org/W3013588461","https://openalex.org/W6927007621"],"abstract_inverted_index":{"The":[0,85],"electrochemical":[1,165],"performance":[2],"of":[3,14,28,67,105,158,173],"lithium-ion":[4],"batteries":[5],"is":[6],"strongly":[7],"governed":[8],"by":[9,122],"the":[10,64,115,152,162],"complex":[11],"three-dimensional":[12],"architecture":[13],"porous":[15],"electrodes.":[16,160],"While":[17],"recent":[18],"advances":[19],"in":[20],"generative":[21,59],"artificial":[22],"intelligence":[23],"have":[24],"enabled":[25],"realistic":[26],"reconstruction":[27],"battery":[29,159,181],"microstructures,":[30],"existing":[31],"approaches":[32],"primarily":[33],"focus":[34],"on":[35,81],"reproducing":[36],"morphology":[37,113],"or":[38],"correlating":[39],"manufacturing":[40,167],"parameters":[41],"with":[42,108,164,183],"structural":[43],"characteristics,":[44],"providing":[45],"limited":[46],"control":[47],"over":[48],"transport-relevant":[49],"properties.":[50],"In":[51],"this":[52],"work,":[53],"we":[54],"develop":[55],"a":[56,88,137],"physics-constrained":[57],"conditional":[58],"adversarial":[60],"network":[61,91],"(PC-cGAN)":[62],"for":[63,154],"inverse":[65,119],"generation":[66,104],"LiNi":[68],"0.5":[69],"Mn":[70],"0.3":[71],"Co":[72],"0.2":[73],"O":[74],"2":[75],",":[76],"NMC532":[77],"cathode":[78],"microstructures":[79,106],"conditioned":[80],"target":[82],"physical":[83,89],"descriptors.":[84],"framework":[86,116,163],"integrates":[87],"constraint":[90],"that":[92,143],"enforces":[93],"porosity,":[94],"active-material":[95],"volume":[96],"fraction,":[97],"and":[98,166,178],"tortuosity":[99],"during":[100],"training,":[101],"enabling":[102],"direct":[103],"consistent":[107,131],"desired":[109],"transport":[110,125],"characteristics.":[111],"Beyond":[112],"reconstruction,":[114],"also":[117],"supports":[118],"microstructure":[120],"design":[121,182],"mapping":[123],"user-specified":[124],"properties":[126],"directly":[127],"into":[128],"three-dimensional,":[129],"physically":[130],"electrode":[132],"architectures.":[133],"This":[134],"functionality":[135],"opens":[136],"pathway":[138],"to":[139,147],"probe":[140],"structure-transport":[141],"relationships":[142],"are":[144],"otherwise":[145],"challenging":[146],"isolate":[148],"experimentally,":[149],"while":[150],"laying":[151],"groundwork":[153],"AI-enabled":[155],"digital":[156],"twins":[157],"Coupling":[161],"simulations":[168],"will":[169],"enable":[170],"virtual":[171],"screening":[172],"architectures,":[174],"accelerate":[175],"optimization":[176],"cycles,":[177],"advance":[179],"physics-guided":[180],"reduced":[184],"experimental":[185],"effort.":[186]},"counts_by_year":[],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2026-10-29T00:00:00"}