{"id":"https://openalex.org/W4388722709","doi":"https://doi.org/10.1103/physrevmaterials.7.113607","title":"Thermodynamic stability of \u03b2 -phases in Zr-Nb alloys","display_name":"Thermodynamic stability of \u03b2 -phases in Zr-Nb alloys","publication_year":2023,"publication_date":"2023-11-16","ids":{"openalex":"https://openalex.org/W4388722709","doi":"https://doi.org/10.1103/physrevmaterials.7.113607"},"language":"en","primary_location":{"id":"doi:10.1103/physrevmaterials.7.113607","doi":"https://doi.org/10.1103/physrevmaterials.7.113607","is_oa":false,"landing_page_url":"https://doi.org/10.1103/physrevmaterials.7.113607","pdf_url":null,"source":{"id":"https://openalex.org/S2786256796","display_name":"Physical Review Materials","issn_l":"2475-9953","issn":["2475-9953","2476-0455"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","ki-jl-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review Materials","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://upcommons.upc.edu/bitstreams/1f8a14cd-6fc3-4903-be46-6701e43268b6/download","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5035405538","display_name":"Vidur Tuli","orcid":"https://orcid.org/0000-0003-1726-4814","observed_orcids":["https://orcid.org/0000-0003-1726-4814"]},"institutions":[{"id":"https://openalex.org/I31746571","display_name":"UNSW Sydney","ror":"https://ror.org/03r8z3t63","country_code":"AU","type":"education","lineage":["https://openalex.org/I31746571"]}],"countries":["AU"],"is_corresponding":true,"raw_author_name":"Vidur Tuli","raw_affiliation_strings":["School of Mechanical and Manufacturing Engineering, University of New South Wales, Kensington NSW 2033, Australia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Mechanical and Manufacturing Engineering, University of New South Wales, Kensington NSW 2033, Australia","institution_ids":["https://openalex.org/I31746571"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009562147","display_name":"Patrick A. Burr","orcid":"https://orcid.org/0000-0003-4796-9110","observed_orcids":["https://orcid.org/0000-0003-4796-9110"]},"institutions":[{"id":"https://openalex.org/I31746571","display_name":"UNSW Sydney","ror":"https://ror.org/03r8z3t63","country_code":"AU","type":"education","lineage":["https://openalex.org/I31746571"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Patrick Burr","raw_affiliation_strings":["School of Mechanical and Manufacturing Engineering, University of New South Wales, Kensington NSW 2033, Australia"],"raw_orcid":"https://orcid.org/0000-0003-4796-9110","affiliations":[{"raw_affiliation_string":"School of Mechanical and Manufacturing Engineering, University of New South Wales, Kensington NSW 2033, Australia","institution_ids":["https://openalex.org/I31746571"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082619106","display_name":"Antoine J. Claisse","orcid":"https://orcid.org/0000-0002-4158-0123","observed_orcids":["https://orcid.org/0000-0002-4158-0123"]},"institutions":[{"id":"https://openalex.org/I31746571","display_name":"UNSW Sydney","ror":"https://ror.org/03r8z3t63","country_code":"AU","type":"education","lineage":["https://openalex.org/I31746571"]},{"id":"https://openalex.org/I4210134465","display_name":"Westinghouse Electric (Sweden)","ror":"https://ror.org/03htten57","country_code":"SE","type":"company","lineage":["https://openalex.org/I4210134465","https://openalex.org/I9217761"]}],"countries":["AU","SE"],"is_corresponding":false,"raw_author_name":"Antoine Claisse","raw_affiliation_strings":["School of Mechanical and Manufacturing Engineering, University of New South Wales, Kensington NSW 2033, Australia","Westinghouse Electric Sweden, V\u00e4ster\u00e5s SE 72163, Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Mechanical and Manufacturing Engineering, University of New South Wales, Kensington NSW 2033, Australia","institution_ids":["https://openalex.org/I31746571"]},{"raw_affiliation_string":"Westinghouse Electric Sweden, V\u00e4ster\u00e5s SE 72163, Sweden","institution_ids":["https://openalex.org/I4210134465"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087568082","display_name":"Claudio Cazorla","orcid":"https://orcid.org/0000-0002-6501-4513","observed_orcids":["https://orcid.org/0000-0002-6501-4513"]},"institutions":[{"id":"https://openalex.org/I31746571","display_name":"UNSW Sydney","ror":"https://ror.org/03r8z3t63","country_code":"AU","type":"education","lineage":["https://openalex.org/I31746571"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["AU","ES"],"is_corresponding":false,"raw_author_name":"Claudio Cazorla","raw_affiliation_strings":["Department of Physics, Universitat Polit\u00e8cnica de Catalunya (UPC), Barcelona, Catalonia B4-203, Spain","School of Mechanical and Manufacturing Engineering, University of New South Wales, Kensington NSW 2033, Australia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Universitat Polit\u00e8cnica de Catalunya (UPC), Barcelona, Catalonia B4-203, Spain","institution_ids":["https://openalex.org/I9617848"]},{"raw_affiliation_string":"School of Mechanical and Manufacturing Engineering, University of New South Wales, Kensington NSW 2033, Australia","institution_ids":["https://openalex.org/I31746571"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5035405538"],"corresponding_institution_ids":["https://openalex.org/I31746571"],"apc_list":null,"apc_paid":null,"fwci":0.4103,"has_fulltext":true,"cited_by_count":6,"citation_normalized_percentile":{"value":0.46839949,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"7","issue":"11","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10592","display_name":"Fusion materials and technologies","score":0.8008000254631042,"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/T10592","display_name":"Fusion materials and technologies","score":0.8008000254631042,"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/T11242","display_name":"Nuclear Materials and Properties","score":0.19580000638961792,"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/T12506","display_name":"Nuclear materials and radiation effects","score":0.0005000000237487257,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/zr-nb-alloys","display_name":"Zr-Nb alloys","score":0.9470000267028809},{"id":"https://openalex.org/keywords/beta-phase","display_name":"beta phase","score":0.5640000104904175},{"id":"https://openalex.org/keywords/thermodynamic-stability","display_name":"thermodynamic stability","score":0.8880000114440918},{"id":"https://openalex.org/keywords/vibrational-entropy","display_name":"vibrational entropy","score":0.8230000138282776},{"id":"https://openalex.org/keywords/vibrational-free-energy","display_name":"vibrational free energy","score":0.9259999990463257},{"id":"https://openalex.org/keywords/heat-of-mixing","display_name":"excess enthalpy","score":0.9629999995231628},{"id":"https://openalex.org/keywords/configurational-entropy","display_name":"configurational entropy","score":1.0},{"id":"https://openalex.org/keywords/electronic-entropy","display_name":"electronic entropy","score":0.9369999766349792},{"id":"https://openalex.org/keywords/neutron-irradiation","display_name":"neutron irradiation","score":0.8169999718666077},{"id":"https://openalex.org/keywords/proton-irradiation","display_name":"proton irradiation","score":0.9559999704360962},{"id":"https://openalex.org/keywords/phase-stability","display_name":"phase stability","score":0.46700000762939453}],"concepts":[{"id":"https://openalex.org/C3288061","wikidata":"https://www.wikidata.org/wiki/Q161064","display_name":"Enthalpy","level":2,"score":0.6125580072402954},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6106906533241272},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.5992037057876587},{"id":"https://openalex.org/C124589349","wikidata":"https://www.wikidata.org/wiki/Q3726376","display_name":"Configuration entropy","level":2,"score":0.4585549235343933},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.4567088484764099},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.22527378797531128},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.09988826513290405}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1103/physrevmaterials.7.113607","doi":"https://doi.org/10.1103/physrevmaterials.7.113607","is_oa":false,"landing_page_url":"https://doi.org/10.1103/physrevmaterials.7.113607","pdf_url":null,"source":{"id":"https://openalex.org/S2786256796","display_name":"Physical Review Materials","issn_l":"2475-9953","issn":["2475-9953","2476-0455"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","ki-jl-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review Materials","raw_type":"journal-article"},{"id":"pmh:oai:upcommons.upc.edu:2117/405396","doi":null,"is_oa":true,"landing_page_url":"https://hdl.handle.net/2117/405396","pdf_url":"https://upcommons.upc.edu/bitstreams/1f8a14cd-6fc3-4903-be46-6701e43268b6/download","source":{"id":"https://openalex.org/S4377196262","display_name":"UPCommons institutional repository (Universitat Polit\u00e8cnica de Catalunya)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I9617848","host_organization_name":"Universitat Polit\u00e8cnica de Catalunya","host_organization_lineage":["https://openalex.org/I9617848"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Article"}],"best_oa_location":{"id":"pmh:oai:upcommons.upc.edu:2117/405396","doi":null,"is_oa":true,"landing_page_url":"https://hdl.handle.net/2117/405396","pdf_url":"https://upcommons.upc.edu/bitstreams/1f8a14cd-6fc3-4903-be46-6701e43268b6/download","source":{"id":"https://openalex.org/S4377196262","display_name":"UPCommons institutional repository (Universitat Polit\u00e8cnica de Catalunya)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I9617848","host_organization_name":"Universitat Polit\u00e8cnica de Catalunya","host_organization_lineage":["https://openalex.org/I9617848"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G523881754","display_name":null,"funder_award_id":"RYC2018- 024947-I","funder_id":"https://openalex.org/F4320322930","funder_display_name":"Ministerio de Ciencia e Innovaci\u00f3n"},{"id":"https://openalex.org/G901749711","display_name":null,"funder_award_id":"RYC2018\u2010024947\u2010I","funder_id":"https://openalex.org/F4320315062","funder_display_name":"Ministerio de Ciencia, Innovaci\u00f3n y Universidades"}],"funders":[{"id":"https://openalex.org/F4320312169","display_name":"National Computational Infrastructure","ror":"https://ror.org/04yx6dh41"},{"id":"https://openalex.org/F4320315062","display_name":"Ministerio de Ciencia, Innovaci\u00f3n y Universidades","ror":null},{"id":"https://openalex.org/F4320315885","display_name":"Australian Government","ror":"https://ror.org/0314h5y94"},{"id":"https://openalex.org/F4320322930","display_name":"Ministerio de Ciencia e Innovaci\u00f3n","ror":null},{"id":"https://openalex.org/F4320326768","display_name":"Government of Western Australia","ror":"https://ror.org/00wqdbc63"},{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4388722709.pdf","grobid_xml":"https://content.openalex.org/works/W4388722709.grobid-xml"},"referenced_works_count":80,"referenced_works":["https://openalex.org/W650166415","https://openalex.org/W832976576","https://openalex.org/W1747506881","https://openalex.org/W1916057355","https://openalex.org/W1944397539","https://openalex.org/W1964322274","https://openalex.org/W1965127276","https://openalex.org/W1966144756","https://openalex.org/W1966889575","https://openalex.org/W1970871968","https://openalex.org/W1971451600","https://openalex.org/W1972615337","https://openalex.org/W1973397546","https://openalex.org/W1977086245","https://openalex.org/W1982490938","https://openalex.org/W1986551381","https://openalex.org/W1991794210","https://openalex.org/W1994423825","https://openalex.org/W1997080030","https://openalex.org/W1999463389","https://openalex.org/W1999982574","https://openalex.org/W2006983547","https://openalex.org/W2007395042","https://openalex.org/W2009387250","https://openalex.org/W2013940717","https://openalex.org/W2021182328","https://openalex.org/W2022644649","https://openalex.org/W2026613278","https://openalex.org/W2028625702","https://openalex.org/W2041063181","https://openalex.org/W2041760161","https://openalex.org/W2042922831","https://openalex.org/W2051923595","https://openalex.org/W2052875750","https://openalex.org/W2054812570","https://openalex.org/W2055757203","https://openalex.org/W2058352527","https://openalex.org/W2059593642","https://openalex.org/W2061832213","https://openalex.org/W2064547159","https://openalex.org/W2078369649","https://openalex.org/W2080764193","https://openalex.org/W2081524860","https://openalex.org/W2083222334","https://openalex.org/W2086435114","https://openalex.org/W2086438073","https://openalex.org/W2089364979","https://openalex.org/W2093157284","https://openalex.org/W2109207645","https://openalex.org/W2109333419","https://openalex.org/W2123370386","https://openalex.org/W2163968698","https://openalex.org/W2278557551","https://openalex.org/W2320684256","https://openalex.org/W2550853739","https://openalex.org/W2569038645","https://openalex.org/W2766591156","https://openalex.org/W2791322101","https://openalex.org/W2803409658","https://openalex.org/W2804486420","https://openalex.org/W2885795267","https://openalex.org/W2888036493","https://openalex.org/W2908739325","https://openalex.org/W2963575230","https://openalex.org/W2964546429","https://openalex.org/W2968568150","https://openalex.org/W3011938354","https://openalex.org/W3097576262","https://openalex.org/W3109891999","https://openalex.org/W3120046912","https://openalex.org/W3128648805","https://openalex.org/W3141553458","https://openalex.org/W3172038076","https://openalex.org/W3190021301","https://openalex.org/W3195966519","https://openalex.org/W3198356411","https://openalex.org/W3207911150","https://openalex.org/W4283170547","https://openalex.org/W4296121927","https://openalex.org/W4385073084"],"related_works":["https://openalex.org/W2509991298","https://openalex.org/W2028398500","https://openalex.org/W2054735474","https://openalex.org/W1970871968","https://openalex.org/W2766591156","https://openalex.org/W2011819676","https://openalex.org/W3159039087","https://openalex.org/W938239728","https://openalex.org/W2899211125","https://openalex.org/W7154846297"],"abstract_inverted_index":{"We":[0],"investigate":[1],"the":[2,15,44,52,58,113,135],"contribution":[3],"of":[4,18,27,47,57,116,137],"mixing":[5],"enthalpy,":[6,32],"configurational":[7,33],"entropy,":[8,10,34],"vibrational":[9,59,72],"and":[11,35,82,103,110,124],"electronic":[12,36],"entropy":[13],"towards":[14,134],"thermodynamic":[16],"stability":[17,46,136],"$\\ensuremath{\\beta}$-(Zr,Nb)":[19],"phases,":[20],"to":[21,42,80],"explain":[22,43,112],"discrepancies":[23],"in":[24,79,89,122],"experimental":[25,92],"observation":[26],"irradiated":[28,126],"Zr-Nb":[29,127],"alloys.":[30,128],"Mixing":[31],"free":[37,60,73],"energy":[38,61,74,96],"alone":[39],"are":[40,140],"insufficient":[41],"relative":[45,95],"these":[48,138],"phases.":[49],"This":[50],"emphasises":[51],"need":[53],"for":[54],"accurate":[55],"determination":[56],"contributions,":[62],"which":[63],"we":[64],"calculated":[65],"using":[66],"ab":[67],"initio":[68],"molecular":[69],"dynamics.":[70],"Including":[71],"contributions":[75],"predicts":[76],"$\\ensuremath{\\beta}$-Zr":[77,99],"decomposition":[78,100],"HCP-Zr":[81],"$\\ensuremath{\\beta}$-Nb":[83],"at":[84],"temperatures":[85],"below":[86],"$\\ensuremath{\\sim}880$":[87],"K,":[88],"line":[90],"with":[91],"observations.":[93],"The":[94],"difference":[97],"between":[98,101],"600":[102],"1200":[104],"K":[105],"is":[106],"small":[107],"($<0.1$":[108],"eV/atom)":[109],"may":[111,132],"wide":[114],"range":[115],"apparently":[117],"stable":[118],"$\\ensuremath{\\beta}$":[119],"phases":[120,139],"observed":[121],"neutron":[123],"proton":[125],"Other":[129],"factors":[130],"that":[131],"contribute":[133],"also":[141],"discussed.":[142]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":1}],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2023-11-17T00:00:00"}
