{"id":"https://openalex.org/W7223700382","doi":"https://doi.org/10.1088/1361-651x/aeb95c","title":"Modelling oxidation kinetics of half-Heusler thermoelectric materials and the role of protective coatings","display_name":"Modelling oxidation kinetics of half-Heusler thermoelectric materials and the role of protective coatings","publication_year":2026,"publication_date":"2026-10-26","ids":{"openalex":"https://openalex.org/W7223700382","doi":"https://doi.org/10.1088/1361-651x/aeb95c"},"language":"en","primary_location":{"id":"doi:10.1088/1361-651x/aeb95c","doi":"https://doi.org/10.1088/1361-651x/aeb95c","is_oa":true,"landing_page_url":"https://doi.org/10.1088/1361-651x/aeb95c","pdf_url":"https://iopscience.iop.org/article/10.1088/1361-651X/aeb95c/pdf","source":{"id":"https://openalex.org/S117777245","display_name":"Modelling and Simulation in Materials Science and Engineering","issn_l":"0965-0393","issn":["0965-0393","1361-651X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Modelling and Simulation in Materials Science and Engineering","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://iopscience.iop.org/article/10.1088/1361-651X/aeb95c/pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5072810726","display_name":"Ekrem Ekici","orcid":"https://orcid.org/0000-0002-5885-790X","observed_orcids":["https://orcid.org/0000-0002-5885-790X"]},"institutions":[{"id":"https://openalex.org/I134085113","display_name":"King Fahd University of Petroleum and Minerals","ror":"https://ror.org/03yez3163","country_code":"SA","type":"education","lineage":["https://openalex.org/I134085113"]},{"id":"https://openalex.org/I4405392","display_name":"Bo\u011fazi\u00e7i University","ror":"https://ror.org/03z9tma90","country_code":"TR","type":"education","lineage":["https://openalex.org/I4405392"]}],"countries":["SA","TR"],"is_corresponding":false,"raw_author_name":"Ekrem Ekici","raw_affiliation_strings":["Bogazici University","King Fahd University of Petroleum and Minerals"],"raw_orcid":"https://orcid.org/0000-0002-5885-790X","affiliations":[{"raw_affiliation_string":"Bogazici University","institution_ids":["https://openalex.org/I4405392"]},{"raw_affiliation_string":"King Fahd University of Petroleum and Minerals","institution_ids":["https://openalex.org/I134085113"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5081978733","display_name":"Mikdat Gurtaran","orcid":"https://orcid.org/0000-0002-8953-7458","observed_orcids":["https://orcid.org/0000-0002-8953-7458"]},"institutions":[{"id":"https://openalex.org/I120217413","display_name":"Izmir Institute of Technology","ror":"https://ror.org/03stptj97","country_code":"TR","type":"education","lineage":["https://openalex.org/I120217413"]},{"id":"https://openalex.org/I134085113","display_name":"King Fahd University of Petroleum and Minerals","ror":"https://ror.org/03yez3163","country_code":"SA","type":"education","lineage":["https://openalex.org/I134085113"]}],"countries":["SA","TR"],"is_corresponding":true,"raw_author_name":"Mikdat Gurtaran","raw_affiliation_strings":["Izmir Institute of Technology","King Fahd University of Petroleum and Minerals"],"raw_orcid":"https://orcid.org/0000-0002-8953-7458","affiliations":[{"raw_affiliation_string":"Izmir Institute of Technology","institution_ids":["https://openalex.org/I120217413"]},{"raw_affiliation_string":"King Fahd University of Petroleum and Minerals","institution_ids":["https://openalex.org/I134085113"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5081978733"],"corresponding_institution_ids":["https://openalex.org/I120217413","https://openalex.org/I134085113"],"apc_list":{"value":3325,"currency":"USD","value_usd":3325},"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.65457721,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"34","issue":"8","first_page":"085001","last_page":"085001"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.9965999722480774,"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"}},"topics":[{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.9965999722480774,"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/T10626","display_name":"High-Temperature Coating Behaviors","score":0.001500000013038516,"subfield":{"id":"https://openalex.org/subfields/2508","display_name":"Surfaces, Coatings and Films"},"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/T12200","display_name":"Heusler alloys: electronic and magnetic properties","score":0.000699999975040555,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/oxidation-kinetics","display_name":"oxidation kinetics","score":0.9010000228881836},{"id":"https://openalex.org/keywords/protective-coatings","display_name":"protective coatings","score":0.8960000276565552},{"id":"https://openalex.org/keywords/oxygen-diffusion","display_name":"oxygen diffusion","score":0.746999979019165},{"id":"https://openalex.org/keywords/oxide-scale-growth","display_name":"oxide scale growth","score":0.7480000257492065},{"id":"https://openalex.org/keywords/mass-gain","display_name":"mass gain","score":0.7509999871253967},{"id":"https://openalex.org/keywords/thermal-stability","display_name":"thermal stability","score":0.8009999990463257},{"id":"https://openalex.org/keywords/finite-element-analysis","display_name":"finite element analysis","score":0.8009999990463257},{"id":"https://openalex.org/keywords/fick-s-law","display_name":"Fick's law","score":0.6779999732971191},{"id":"https://openalex.org/keywords/model-calibration","display_name":"model calibration","score":0.4569999873638153}],"concepts":[{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.8788999915122986},{"id":"https://openalex.org/C37668627","wikidata":"https://www.wikidata.org/wiki/Q3381809","display_name":"Thermal diffusivity","level":2,"score":0.6553999781608582},{"id":"https://openalex.org/C43214815","wikidata":"https://www.wikidata.org/wiki/Q7310987","display_name":"Reliability (semiconductor)","level":3,"score":0.5892999768257141},{"id":"https://openalex.org/C2781448156","wikidata":"https://www.wikidata.org/wiki/Q1570182","display_name":"Coating","level":2,"score":0.5383999943733215},{"id":"https://openalex.org/C63024428","wikidata":"https://www.wikidata.org/wiki/Q552456","display_name":"Thermoelectric effect","level":2,"score":0.5217999815940857},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.49549999833106995},{"id":"https://openalex.org/C59061564","wikidata":"https://www.wikidata.org/wiki/Q7783071","display_name":"Thermal stability","level":2,"score":0.47589999437332153},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.4747999906539917},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.46560001373291016},{"id":"https://openalex.org/C207365445","wikidata":"https://www.wikidata.org/wiki/Q15020929","display_name":"Thermoelectric materials","level":3,"score":0.4253000020980835},{"id":"https://openalex.org/C2777289219","wikidata":"https://www.wikidata.org/wiki/Q7632154","display_name":"Substrate (aquarium)","level":2,"score":0.4090999960899353},{"id":"https://openalex.org/C117127486","wikidata":"https://www.wikidata.org/wiki/Q11569191","display_name":"Thermoelectric generator","level":3,"score":0.3865000009536743},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.37389999628067017},{"id":"https://openalex.org/C202787564","wikidata":"https://www.wikidata.org/wiki/Q6510488","display_name":"Heat equation","level":2,"score":0.34929999709129333},{"id":"https://openalex.org/C107861326","wikidata":"https://www.wikidata.org/wiki/Q209233","display_name":"Thermal energy","level":2,"score":0.34220001101493835},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","level":1,"score":0.33889999985694885},{"id":"https://openalex.org/C148898269","wikidata":"https://www.wikidata.org/wiki/Q1108792","display_name":"Kinetics","level":2,"score":0.33820000290870667},{"id":"https://openalex.org/C116915560","wikidata":"https://www.wikidata.org/wiki/Q83504","display_name":"Nuclear engineering","level":1,"score":0.3262999951839447},{"id":"https://openalex.org/C21880701","wikidata":"https://www.wikidata.org/wiki/Q2144042","display_name":"Process engineering","level":1,"score":0.3231000006198883},{"id":"https://openalex.org/C31555180","wikidata":"https://www.wikidata.org/wiki/Q3523867","display_name":"Material properties","level":2,"score":0.3133000135421753},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.310699999332428},{"id":"https://openalex.org/C423512","wikidata":"https://www.wikidata.org/wiki/Q383973","display_name":"Electricity generation","level":3,"score":0.29760000109672546},{"id":"https://openalex.org/C95121573","wikidata":"https://www.wikidata.org/wiki/Q190474","display_name":"Activation energy","level":2,"score":0.2957000136375427},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.2824999988079071},{"id":"https://openalex.org/C206658404","wikidata":"https://www.wikidata.org/wiki/Q12725","display_name":"Electricity","level":2,"score":0.2768000066280365},{"id":"https://openalex.org/C97346530","wikidata":"https://www.wikidata.org/wiki/Q487005","display_name":"Thermal conductivity","level":2,"score":0.267300009727478},{"id":"https://openalex.org/C61696701","wikidata":"https://www.wikidata.org/wiki/Q770766","display_name":"Engineering physics","level":1,"score":0.2624000012874603},{"id":"https://openalex.org/C571446","wikidata":"https://www.wikidata.org/wiki/Q6510183","display_name":"Diffusion equation","level":3,"score":0.26190000772476196},{"id":"https://openalex.org/C76969082","wikidata":"https://www.wikidata.org/wiki/Q486902","display_name":"Mathematical model","level":2,"score":0.2590999901294708},{"id":"https://openalex.org/C55037315","wikidata":"https://www.wikidata.org/wiki/Q5421151","display_name":"Experimental data","level":2,"score":0.25049999356269836}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1088/1361-651x/aeb95c","doi":"https://doi.org/10.1088/1361-651x/aeb95c","is_oa":true,"landing_page_url":"https://doi.org/10.1088/1361-651x/aeb95c","pdf_url":"https://iopscience.iop.org/article/10.1088/1361-651X/aeb95c/pdf","source":{"id":"https://openalex.org/S117777245","display_name":"Modelling and Simulation in Materials Science and Engineering","issn_l":"0965-0393","issn":["0965-0393","1361-651X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Modelling and Simulation in Materials Science and Engineering","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1088/1361-651x/aeb95c","doi":"https://doi.org/10.1088/1361-651x/aeb95c","is_oa":true,"landing_page_url":"https://doi.org/10.1088/1361-651x/aeb95c","pdf_url":"https://iopscience.iop.org/article/10.1088/1361-651X/aeb95c/pdf","source":{"id":"https://openalex.org/S117777245","display_name":"Modelling and Simulation in Materials Science and Engineering","issn_l":"0965-0393","issn":["0965-0393","1361-651X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Modelling and Simulation in Materials Science and Engineering","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.75,"display_name":"Affordable and clean energy"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7223700382.pdf","grobid_xml":"https://content.openalex.org/works/W7223700382.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4401913414","https://openalex.org/W7125572993","https://openalex.org/W4316126709","https://openalex.org/W4415290119","https://openalex.org/W4417348291","https://openalex.org/W3042737115","https://openalex.org/W4387667079","https://openalex.org/W7219290959","https://openalex.org/W4411935248","https://openalex.org/W2912505498"],"abstract_inverted_index":{"Abstract":[0],"Thermoelectric":[1],"(TE)":[2],"materials":[3,48,149],"are":[4,55],"increasingly":[5],"utilised":[6],"for":[7,29,75,113,141],"electricity":[8],"generation":[9],"by":[10,151],"harvesting":[11],"waste":[12],"heat":[13],"in":[14,20,49,97],"various":[15],"practical":[16],"applications.":[17],"When":[18],"deployed":[19],"high-temperature":[21],"environments,":[22],"their":[23],"long-term":[24,59,144],"thermal":[25,145],"stability":[26,146],"is":[27,83,106,126],"crucial":[28],"ensuring":[30],"high":[31],"reliability":[32],"and":[33,101,115,132,135],"minimised":[34],"mechanical":[35],"degradation.":[36],"While":[37],"state-of-the-art":[38],"experimental":[39,52],"studies":[40],"have":[41],"highlighted":[42],"the":[43,76,99,121,124,143],"potential":[44],"of":[45,78,147],"half-Heusler":[46,117],"TE":[47,118,148],"energy":[50],"harvesting,":[51],"testing":[53],"durations":[54],"often":[56],"limited,":[57],"leaving":[58],"performance":[60],"uncertain.":[61],"This":[62],"paper":[63],"addresses":[64],"these":[65],"gaps":[66],"through":[67],"finite":[68],"element-based":[69],"oxidation":[70],"modelling,":[71],"which":[72],"explicitly":[73],"accounts":[74],"influence":[77],"protective":[79],"coatings.":[80,153],"Oxygen":[81],"diffusion":[82],"modelled":[84],"with":[85,91,93],"a":[86,94,139],"1D":[87],"Fick\u2019s":[88],"equation":[89],"solved":[90],"FEniCSx,":[92],"time-decaying":[95],"diffusivity":[96],"both":[98],"substrate":[100],"coating":[102],"domains.":[103],"The":[104],"model":[105],"calibrated":[107,122],"against":[108],"50":[109],"h":[110],"mass-gain":[111],"data":[112],"uncoated":[114],"CrSi-coated":[116],"materials.":[119],"With":[120],"parameters,":[123],"framework":[125],"used":[127],"to":[128],"extrapolate":[129],"mass":[130],"gain":[131],"oxide-scale":[133],"growth,":[134],"can":[136],"serve":[137],"as":[138],"tool":[140],"estimating":[142],"protected":[150],"oxidation-resistant":[152]},"counts_by_year":[],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2026-10-27T00:00:00"}