{"id":"https://openalex.org/W4414993147","doi":"https://doi.org/10.1007/s10853-025-11542-w","title":"Oxidation behavior of CrAlN: ab initio molecular dynamics simulations and experiments","display_name":"Oxidation behavior of CrAlN: ab initio molecular dynamics simulations and experiments","publication_year":2025,"publication_date":"2025-10-09","ids":{"openalex":"https://openalex.org/W4414993147","doi":"https://doi.org/10.1007/s10853-025-11542-w"},"language":"en","primary_location":{"id":"doi:10.1007/s10853-025-11542-w","doi":"https://doi.org/10.1007/s10853-025-11542-w","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10853-025-11542-w","pdf_url":null,"source":{"id":"https://openalex.org/S26125866","display_name":"Journal of Materials Science","issn_l":"0022-2461","issn":["0022-2461","1573-4803"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Materials Science","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5031588891","display_name":"Ergeng Zhang","orcid":"https://orcid.org/0000-0002-5868-6389","observed_orcids":["https://orcid.org/0000-0002-5868-6389"]},"institutions":[{"id":"https://openalex.org/I67001856","display_name":"Shanghai Institute of Technology","ror":"https://ror.org/00fjzqj15","country_code":"CN","type":"education","lineage":["https://openalex.org/I67001856"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ergeng Zhang","raw_affiliation_strings":["Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China","institution_ids":["https://openalex.org/I67001856"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Jingjing Xu","orcid":"https://orcid.org/0009-0007-0658-0623","observed_orcids":["https://orcid.org/0009-0007-0658-0623"]},"institutions":[{"id":"https://openalex.org/I67001856","display_name":"Shanghai Institute of Technology","ror":"https://ror.org/00fjzqj15","country_code":"CN","type":"education","lineage":["https://openalex.org/I67001856"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jingjing Xu","raw_affiliation_strings":["Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China"],"raw_orcid":"https://orcid.org/0009-0007-0658-0623","affiliations":[{"raw_affiliation_string":"Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China","institution_ids":["https://openalex.org/I67001856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101647222","display_name":"Biao Huang","orcid":"https://orcid.org/0000-0002-4504-3528","observed_orcids":["https://orcid.org/0000-0002-4504-3528"]},"institutions":[{"id":"https://openalex.org/I67001856","display_name":"Shanghai Institute of Technology","ror":"https://ror.org/00fjzqj15","country_code":"CN","type":"education","lineage":["https://openalex.org/I67001856"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Biao Huang","raw_affiliation_strings":["Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China","institution_ids":["https://openalex.org/I67001856"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Qiong Zhou","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I67001856","display_name":"Shanghai Institute of Technology","ror":"https://ror.org/00fjzqj15","country_code":"CN","type":"education","lineage":["https://openalex.org/I67001856"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Qiong Zhou","raw_affiliation_strings":["Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China","institution_ids":["https://openalex.org/I67001856"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Qiang Chen","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I67001856","display_name":"Shanghai Institute of Technology","ror":"https://ror.org/00fjzqj15","country_code":"CN","type":"education","lineage":["https://openalex.org/I67001856"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qiang Chen","raw_affiliation_strings":["Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China","institution_ids":["https://openalex.org/I67001856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101827095","display_name":"Dandan Liang","orcid":"https://orcid.org/0000-0001-9701-5054","observed_orcids":["https://orcid.org/0000-0001-9701-5054"]},"institutions":[{"id":"https://openalex.org/I67001856","display_name":"Shanghai Institute of Technology","ror":"https://ror.org/00fjzqj15","country_code":"CN","type":"education","lineage":["https://openalex.org/I67001856"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Dandan Liang","raw_affiliation_strings":["Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Engineering Research Center of Physical Vapor Deposition (PVD) Superhard Coating and Equipment, Shanghai Institute of Technology, Shanghai, 201418, China","institution_ids":["https://openalex.org/I67001856"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5031282439","display_name":"Zhibin Lou","orcid":"https://orcid.org/0009-0007-4159-4510","observed_orcids":["https://orcid.org/0009-0007-4159-4510"]},"institutions":[{"id":"https://openalex.org/I4210120203","display_name":"Shanghai Academy of Science & Technology","ror":"https://ror.org/02mg3as63","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210120203"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhibin Lou","raw_affiliation_strings":["Shanghai Academy of Science & Technology, Shanghai, 200031, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Academy of Science & Technology, Shanghai, 200031, China","institution_ids":["https://openalex.org/I4210120203"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5101647222"],"corresponding_institution_ids":["https://openalex.org/I67001856"],"apc_list":{"value":3590,"currency":"USD","value_usd":3590},"apc_paid":null,"fwci":0.6773,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.53982579,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":97},"biblio":{"volume":"60","issue":"42","first_page":"20406","last_page":"20425"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10626","display_name":"High-Temperature Coating Behaviors","score":0.9609000086784363,"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"}},"topics":[{"id":"https://openalex.org/T10626","display_name":"High-Temperature Coating Behaviors","score":0.9609000086784363,"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/T10377","display_name":"Metal and Thin Film Mechanics","score":0.02459999918937683,"subfield":{"id":"https://openalex.org/subfields/2211","display_name":"Mechanics of Materials"},"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/T10132","display_name":"Advanced ceramic materials synthesis","score":0.004699999932199717,"subfield":{"id":"https://openalex.org/subfields/2503","display_name":"Ceramics and Composites"},"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/craln-coatings","display_name":"CrAlN coatings","score":0.9890000224113464},{"id":"https://openalex.org/keywords/high-temperature-oxidation","display_name":"high-temperature oxidation","score":0.9290000200271606},{"id":"https://openalex.org/keywords/aluminum-content","display_name":"aluminum content","score":0.6320000290870667},{"id":"https://openalex.org/keywords/alumina","display_name":"alumina","score":0.6970000267028809},{"id":"https://openalex.org/keywords/oxygen-diffusion","display_name":"oxygen diffusion","score":0.8479999899864197},{"id":"https://openalex.org/keywords/oxidation-resistance","display_name":"oxidation resistance","score":0.656000018119812},{"id":"https://openalex.org/keywords/ab-initio-molecular-dynamics","display_name":"ab initio molecular dynamics","score":0.7940000295639038}],"concepts":[{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.801800012588501},{"id":"https://openalex.org/C2779851234","wikidata":"https://www.wikidata.org/wiki/Q50690","display_name":"Oxide","level":2,"score":0.7745000123977661},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7102000117301941},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.6819000244140625},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.5633000135421753},{"id":"https://openalex.org/C2781448156","wikidata":"https://www.wikidata.org/wiki/Q1570182","display_name":"Coating","level":2,"score":0.5360999703407288},{"id":"https://openalex.org/C2779227376","wikidata":"https://www.wikidata.org/wiki/Q6505497","display_name":"Layer (electronics)","level":2,"score":0.5328999757766724},{"id":"https://openalex.org/C513153333","wikidata":"https://www.wikidata.org/wiki/Q663","display_name":"Aluminium","level":2,"score":0.512499988079071},{"id":"https://openalex.org/C540031477","wikidata":"https://www.wikidata.org/wiki/Q629","display_name":"Oxygen","level":2,"score":0.4952000081539154},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.48980000615119934},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4578000009059906},{"id":"https://openalex.org/C175708663","wikidata":"https://www.wikidata.org/wiki/Q899559","display_name":"X-ray photoelectron spectroscopy","level":2,"score":0.45739999413490295},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.429500013589859},{"id":"https://openalex.org/C2910700394","wikidata":"https://www.wikidata.org/wiki/Q177342","display_name":"Aluminum oxide","level":3,"score":0.41530001163482666},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.391400009393692},{"id":"https://openalex.org/C178213299","wikidata":"https://www.wikidata.org/wiki/Q44424","display_name":"Chemical bond","level":2,"score":0.38449999690055847},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3652999997138977},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.36309999227523804},{"id":"https://openalex.org/C2780907538","wikidata":"https://www.wikidata.org/wiki/Q4737397","display_name":"Aluminium oxides","level":3,"score":0.3386000096797943},{"id":"https://openalex.org/C198664488","wikidata":"https://www.wikidata.org/wiki/Q191390","display_name":"Metallic bonding","level":3,"score":0.3312000036239624},{"id":"https://openalex.org/C2779990138","wikidata":"https://www.wikidata.org/wiki/Q6883999","display_name":"Mixed oxide","level":3,"score":0.3206999897956848},{"id":"https://openalex.org/C2992086430","wikidata":"https://www.wikidata.org/wiki/Q428653","display_name":"Molecular oxygen","level":3,"score":0.3003000020980835},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2858000099658966},{"id":"https://openalex.org/C2994492776","wikidata":"https://www.wikidata.org/wiki/Q629","display_name":"Oxygen atom","level":3,"score":0.2840000092983246},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.27959999442100525},{"id":"https://openalex.org/C87976508","wikidata":"https://www.wikidata.org/wiki/Q1498213","display_name":"Microstructure","level":2,"score":0.2734000086784363},{"id":"https://openalex.org/C2777047311","wikidata":"https://www.wikidata.org/wiki/Q177342","display_name":"Aluminium oxide","level":2,"score":0.26269999146461487}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/s10853-025-11542-w","doi":"https://doi.org/10.1007/s10853-025-11542-w","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10853-025-11542-w","pdf_url":null,"source":{"id":"https://openalex.org/S26125866","display_name":"Journal of Materials Science","issn_l":"0022-2461","issn":["0022-2461","1573-4803"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Materials Science","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320335796","display_name":"Program of Shanghai Academic Research Leader","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":52,"referenced_works":["https://openalex.org/W751038627","https://openalex.org/W1629190390","https://openalex.org/W1970513321","https://openalex.org/W1981368803","https://openalex.org/W1999104433","https://openalex.org/W2003295299","https://openalex.org/W2017654795","https://openalex.org/W2024461726","https://openalex.org/W2026450834","https://openalex.org/W2029535336","https://openalex.org/W2047800787","https://openalex.org/W2069628723","https://openalex.org/W2073972569","https://openalex.org/W2082995049","https://openalex.org/W2086886298","https://openalex.org/W2094159114","https://openalex.org/W2099650063","https://openalex.org/W2100993201","https://openalex.org/W2109758852","https://openalex.org/W2133849258","https://openalex.org/W2169344365","https://openalex.org/W2289053918","https://openalex.org/W2322288929","https://openalex.org/W2597084555","https://openalex.org/W2753548759","https://openalex.org/W2757572647","https://openalex.org/W2771452027","https://openalex.org/W2799348087","https://openalex.org/W2888547319","https://openalex.org/W2888793882","https://openalex.org/W2901848267","https://openalex.org/W2946084578","https://openalex.org/W2972018314","https://openalex.org/W2990509329","https://openalex.org/W3021455473","https://openalex.org/W3159358483","https://openalex.org/W3165481575","https://openalex.org/W3174800089","https://openalex.org/W3193526196","https://openalex.org/W4210444373","https://openalex.org/W4295962119","https://openalex.org/W4312220293","https://openalex.org/W4317369907","https://openalex.org/W4386273707","https://openalex.org/W4392435172","https://openalex.org/W4399519643","https://openalex.org/W4399709360","https://openalex.org/W4401324638","https://openalex.org/W4402577994","https://openalex.org/W4408283985","https://openalex.org/W4409908217","https://openalex.org/W4412009369"],"related_works":["https://openalex.org/W4317369907","https://openalex.org/W4389921207","https://openalex.org/W4319791802","https://openalex.org/W2280815774","https://openalex.org/W4413099351","https://openalex.org/W7139135995","https://openalex.org/W2901848267","https://openalex.org/W4408169554","https://openalex.org/W1629190390","https://openalex.org/W2624899074"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":3}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2025-10-10T00:00:00"}
