{"id":"https://openalex.org/W2986778298","doi":"https://doi.org/10.1002/jrs.5751","title":"Quantitative analysis on the microstructure of molten binary KF\u2010AlF3 system by in situ Raman spectroscopy assisted with first principles method","display_name":"Quantitative analysis on the microstructure of molten binary KF\u2010AlF3 system by in situ Raman spectroscopy assisted with first principles method","publication_year":2019,"publication_date":"2019-11-07","ids":{"openalex":"https://openalex.org/W2986778298","doi":"https://doi.org/10.1002/jrs.5751","mag":"2986778298"},"language":"en","primary_location":{"id":"doi:10.1002/jrs.5751","doi":"https://doi.org/10.1002/jrs.5751","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jrs.5751","pdf_url":null,"source":{"id":"https://openalex.org/S4206644","display_name":"Journal of Raman Spectroscopy","issn_l":"0377-0486","issn":["0377-0486","1097-4555"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-b","jufo-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Raman Spectroscopy","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/A5022861348","display_name":"Nan Ma","orcid":"https://orcid.org/0000-0002-8165-0085","observed_orcids":["https://orcid.org/0000-0002-8165-0085"]},"institutions":[{"id":"https://openalex.org/I113940042","display_name":"Shanghai University","ror":"https://ror.org/006teas31","country_code":"CN","type":"education","lineage":["https://openalex.org/I113940042"]},{"id":"https://openalex.org/I198357462","display_name":"Changsha University","ror":"https://ror.org/011d8sm39","country_code":"CN","type":"education","lineage":["https://openalex.org/I198357462"]},{"id":"https://openalex.org/I4405271926","display_name":"State Key Laboratory of Advanced Special Steel","ror":"https://ror.org/039099j03","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4405271926"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Nan Ma","raw_affiliation_strings":["Hunan Key Laboratory of Applied Environmental Photocatalysis, Changsha University, Changsha, 410022 China","State Key Laboratory of Advanced Special Steel, Shanghai Key Laboratory of Advanced Ferrometallurgy, School of Materials Science and Engineering, Shanghai University, Shanghai, 200072 China"],"raw_orcid":"https://orcid.org/0000-0002-8165-0085","affiliations":[{"raw_affiliation_string":"Hunan Key Laboratory of Applied Environmental Photocatalysis, Changsha University, Changsha, 410022 China","institution_ids":["https://openalex.org/I198357462"]},{"raw_affiliation_string":"State Key Laboratory of Advanced Special Steel, Shanghai Key Laboratory of Advanced Ferrometallurgy, School of Materials Science and Engineering, Shanghai University, Shanghai, 200072 China","institution_ids":["https://openalex.org/I113940042","https://openalex.org/I4405271926"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060766835","display_name":"Jinglin You","orcid":"https://orcid.org/0000-0002-7727-243X","observed_orcids":["https://orcid.org/0000-0002-7727-243X"]},"institutions":[{"id":"https://openalex.org/I113940042","display_name":"Shanghai University","ror":"https://ror.org/006teas31","country_code":"CN","type":"education","lineage":["https://openalex.org/I113940042"]},{"id":"https://openalex.org/I4405271926","display_name":"State Key Laboratory of Advanced Special Steel","ror":"https://ror.org/039099j03","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4405271926"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jinglin You","raw_affiliation_strings":["State Key Laboratory of Advanced Special Steel, Shanghai Key Laboratory of Advanced Ferrometallurgy, School of Materials Science and Engineering, Shanghai University, Shanghai, 200072 China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Advanced Special Steel, Shanghai Key Laboratory of Advanced Ferrometallurgy, School of Materials Science and Engineering, Shanghai University, Shanghai, 200072 China","institution_ids":["https://openalex.org/I113940042","https://openalex.org/I4405271926"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042855179","display_name":"Liming L\u00fc","orcid":"https://orcid.org/0000-0002-5327-1440","observed_orcids":["https://orcid.org/0000-0002-5327-1440"]},"institutions":[{"id":"https://openalex.org/I1292875679","display_name":"Commonwealth Scientific and Industrial Research Organisation","ror":"https://ror.org/03qn8fb07","country_code":"AU","type":"government","lineage":["https://openalex.org/I1292875679","https://openalex.org/I2801453606","https://openalex.org/I4387156119"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Liming Lu","raw_affiliation_strings":["CSIRO Mineral Resources, Technology Court, Pullenvale, QLD, 4069 Australia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CSIRO Mineral Resources, Technology Court, Pullenvale, QLD, 4069 Australia","institution_ids":["https://openalex.org/I1292875679"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102001202","display_name":"Yingfang Xie","orcid":"https://orcid.org/0000-0002-9016-808X","observed_orcids":["https://orcid.org/0000-0002-9016-808X"]},"institutions":[{"id":"https://openalex.org/I113940042","display_name":"Shanghai University","ror":"https://ror.org/006teas31","country_code":"CN","type":"education","lineage":["https://openalex.org/I113940042"]},{"id":"https://openalex.org/I4405271926","display_name":"State Key Laboratory of Advanced Special Steel","ror":"https://ror.org/039099j03","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4405271926"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yingfang Xie","raw_affiliation_strings":["State Key Laboratory of Advanced Special Steel, Shanghai Key Laboratory of Advanced Ferrometallurgy, School of Materials Science and Engineering, Shanghai University, Shanghai, 200072 China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Advanced Special Steel, Shanghai Key Laboratory of Advanced Ferrometallurgy, School of Materials Science and Engineering, Shanghai University, Shanghai, 200072 China","institution_ids":["https://openalex.org/I113940042","https://openalex.org/I4405271926"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028526696","display_name":"Songming Wan","orcid":"https://orcid.org/0000-0002-8923-7914","observed_orcids":["https://orcid.org/0000-0002-8923-7914"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210134251","display_name":"Anhui Institute of Optics and Fine Mechanics","ror":"https://ror.org/03bzbv419","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I2802624667","https://openalex.org/I4210134251"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Songming Wan","raw_affiliation_strings":["Anhui Key Laboratory for Photonic Devices and Materials, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei, 230031 China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Anhui Key Laboratory for Photonic Devices and Materials, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei, 230031 China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210134251"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5060766835"],"corresponding_institution_ids":["https://openalex.org/I113940042","https://openalex.org/I4405271926"],"apc_list":{"value":4200,"currency":"USD","value_usd":4200},"apc_paid":null,"fwci":0.8657,"has_fulltext":false,"cited_by_count":14,"citation_normalized_percentile":{"value":0.64997496,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":97},"biblio":{"volume":"51","issue":"1","first_page":"187","last_page":"192"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11947","display_name":"Molten salt chemistry and electrochemical processes","score":0.9355000257492065,"subfield":{"id":"https://openalex.org/subfields/1603","display_name":"Electrochemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11947","display_name":"Molten salt chemistry and electrochemical processes","score":0.9355000257492065,"subfield":{"id":"https://openalex.org/subfields/1603","display_name":"Electrochemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12646","display_name":"Inorganic Fluorides and Related Compounds","score":0.059700001031160355,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10544","display_name":"Glass properties and applications","score":0.0017000000225380063,"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/molten-salts","display_name":"molten salts","score":0.6669999957084656},{"id":"https://openalex.org/keywords/aluminum-fluoride","display_name":"aluminum fluoride","score":0.5849999785423279},{"id":"https://openalex.org/keywords/potassium-fluoride","display_name":"potassium fluoride","score":0.8159999847412109},{"id":"https://openalex.org/keywords/hall-heroult-process","display_name":"Hall-H\u00e9roult process","score":0.8309999704360962},{"id":"https://openalex.org/keywords/electrolyte-properties","display_name":"electrolyte properties","score":0.4350000023841858},{"id":"https://openalex.org/keywords/in-situ-raman-spectroscopy","display_name":"in situ Raman spectroscopy","score":0.7300000190734863}],"concepts":[{"id":"https://openalex.org/C40003534","wikidata":"https://www.wikidata.org/wiki/Q862228","display_name":"Raman spectroscopy","level":2,"score":0.8589308857917786},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6531044244766235},{"id":"https://openalex.org/C182283691","wikidata":"https://www.wikidata.org/wiki/Q978297","display_name":"Binary system","level":3,"score":0.5960042476654053},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.559318482875824},{"id":"https://openalex.org/C198819137","wikidata":"https://www.wikidata.org/wiki/Q188884","display_name":"Octahedron","level":3,"score":0.5139443278312683},{"id":"https://openalex.org/C87976508","wikidata":"https://www.wikidata.org/wiki/Q1498213","display_name":"Microstructure","level":2,"score":0.4914647340774536},{"id":"https://openalex.org/C2779546866","wikidata":"https://www.wikidata.org/wiki/Q531306","display_name":"Dimer","level":2,"score":0.46793410181999207},{"id":"https://openalex.org/C513153333","wikidata":"https://www.wikidata.org/wiki/Q663","display_name":"Aluminium","level":2,"score":0.44273579120635986},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.41847503185272217},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.36163246631622314},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.2730756998062134},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.09708160161972046},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.06984859704971313},{"id":"https://openalex.org/C94375191","wikidata":"https://www.wikidata.org/wiki/Q11205","display_name":"Arithmetic","level":1,"score":0.0},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/jrs.5751","doi":"https://doi.org/10.1002/jrs.5751","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jrs.5751","pdf_url":null,"source":{"id":"https://openalex.org/S4206644","display_name":"Journal of Raman Spectroscopy","issn_l":"0377-0486","issn":["0377-0486","1097-4555"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-b","jufo-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Raman Spectroscopy","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1290495791","display_name":"\u94a8\u9178\u76d0\u548c\u94bc\u9178\u76d0\u529f\u80fd\u6676\u4f53\u7194\u4f53\u7ed3\u6784\u53ca\u5176\u6676\u4f53\u751f\u957f\u673a\u5236\u7684\u9ad8\u6e29\u539f\u4f4d\u62c9\u66fc\u5149\u8c31\u7814\u7a76","funder_award_id":"21773152","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G2572344091","display_name":null,"funder_award_id":"D17002","funder_id":"https://openalex.org/F4320327912","funder_display_name":"Higher Education Discipline Innovation Project"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320327912","display_name":"Higher Education Discipline Innovation Project","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":26,"referenced_works":["https://openalex.org/W1966182479","https://openalex.org/W1969593932","https://openalex.org/W1972132369","https://openalex.org/W1976059606","https://openalex.org/W1981368803","https://openalex.org/W1988675106","https://openalex.org/W1991588206","https://openalex.org/W1997590753","https://openalex.org/W2006974795","https://openalex.org/W2008906659","https://openalex.org/W2044490585","https://openalex.org/W2045596260","https://openalex.org/W2048835561","https://openalex.org/W2058227766","https://openalex.org/W2062675591","https://openalex.org/W2076858582","https://openalex.org/W2093429859","https://openalex.org/W2129579634","https://openalex.org/W2139014245","https://openalex.org/W2159752439","https://openalex.org/W2166244948","https://openalex.org/W2592339122","https://openalex.org/W2606914717","https://openalex.org/W2611073028","https://openalex.org/W2805672854","https://openalex.org/W3161595665"],"related_works":["https://openalex.org/W2805672854","https://openalex.org/W4382655337","https://openalex.org/W1977602674","https://openalex.org/W2973707112","https://openalex.org/W2982478000","https://openalex.org/W3118824261","https://openalex.org/W1994260380","https://openalex.org/W2954397355","https://openalex.org/W2095495909","https://openalex.org/W2058227766"],"abstract_inverted_index":{"Abstract":[0],"In":[1],"order":[2],"to":[3,34,64,83,109,138,150,160],"help":[4],"predict":[5],"the":[6,18,25,66,75,94,100,102,113,118,125,131,140,145,154,174],"properties":[7],"of":[8,27,71,96,121,142],"molten":[9,36,55,78],"salts":[10],"electrolytes":[11],"and":[12,21,89,164],"aluminium":[13,23],"brazing":[14],"flux":[15],"used":[16,63],"in":[17,22,41,46,54,74,99,124,144,170,173],"Hall\u2013H\u00e9roult":[19],"process":[20],"brazing,":[24],"microstructure":[26],"binary":[28],"KF\u2010AlF3":[29,79],"system":[30,80,126],"from":[31,106,136,148,158],"298":[32],"K":[33],"its":[35],"states":[37],"was":[38,81,134],"explored":[39],"by":[40],"situ":[42],"high\u2010temperature":[43],"Raman":[44,52,116],"spectroscopy":[45],"argon":[47],"atmosphere.":[48],"Comparing":[49],"with":[50],"experimental":[51],"spectra":[53],"system,":[56],"quantum":[57],"chemistry":[58],"ab":[59],"initio":[60],"simulations":[61],"were":[62,127,167],"calculate":[65],"symmetric":[67],"stretching":[68],"vibrational":[69],"modes":[70],"probable":[72],"clusters":[73,123,166],"melts.":[76,175],"The":[77],"found":[82,169],"comprise":[84],"monomer":[85],"[AlF6]3\u2212,":[86],"[AlF5]2\u2212,":[87],"[AlF4]\u2212,":[88],"dimer":[90],"[Al2F7]\u2212":[91,165],"clusters.":[92],"With":[93],"increase":[95],"KF":[97],"content":[98,141,156],"melts,":[101],"major":[103],"species":[104],"changes":[105],"[AlF4]\u2212":[107,155],"tetrahedra":[108],"[AlF6]3\u2212":[110,143],"octahedra.":[111],"From":[112],"deconvoluted":[114],"measured":[115],"spectra,":[117],"mole":[119],"fractions":[120],"varied":[122],"also":[128,168],"calculated.":[129],"As":[130],"KF:AlF3":[132],"ratio":[133],"increased":[135,147],"1":[137],"3,":[139],"melt":[146],"22.30":[149],"98.83":[151],"mol%,":[152],"whereas":[153],"decreased":[157],"68.92":[159],"0.33":[161],"mol%.":[162],"[AlF5]2\u2212":[163],"small":[171],"amounts":[172]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":2},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":2}],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2019-11-22T00:00:00"}
