{"id":"https://openalex.org/W1988223938","doi":"https://doi.org/10.1002/adem.201200092","title":"Ab Initio\u2010Based Prediction of Phase Diagrams: Application to Magnetic Shape Memory Alloys","display_name":"Ab Initio\u2010Based Prediction of Phase Diagrams: Application to Magnetic Shape Memory Alloys","publication_year":2012,"publication_date":"2012-07-12","ids":{"openalex":"https://openalex.org/W1988223938","doi":"https://doi.org/10.1002/adem.201200092","mag":"1988223938"},"language":"en","primary_location":{"id":"doi:10.1002/adem.201200092","doi":"https://doi.org/10.1002/adem.201200092","is_oa":false,"landing_page_url":"https://doi.org/10.1002/adem.201200092","pdf_url":null,"source":{"id":"https://openalex.org/S156255550","display_name":"Advanced Engineering Materials","issn_l":"1438-1656","issn":["1438-1656","1527-2648"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-100","russia-white-list-1"],"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":"Advanced Engineering Materials","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/A5009822181","display_name":"Tilmann Hickel","orcid":"https://orcid.org/0000-0003-0698-4891","observed_orcids":["https://orcid.org/0000-0003-0698-4891"]},"institutions":[{"id":"https://openalex.org/I149899117","display_name":"Max Planck Society","ror":"https://ror.org/01hhn8329","country_code":"DE","type":"nonprofit","lineage":["https://openalex.org/I149899117"]},{"id":"https://openalex.org/I4210106926","display_name":"Max-Planck-Institut f\u00fcr Nachhaltige Materialien","ror":"https://ror.org/01ngpvg12","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210106926"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Tilmann Hickel","raw_affiliation_strings":["Max-Planck-Institut fu\u0308r Eisenforschung GmbH Max-Planck-Stra\u00dfe 1, 40237 Du\u0308sseldorf, Germany","Computational Phase Studies, Computational Materials Design, Max-Planck-Institut f\u00fcr Eisenforschung GmbH, Max Planck Society"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Max-Planck-Institut fu\u0308r Eisenforschung GmbH Max-Planck-Stra\u00dfe 1, 40237 Du\u0308sseldorf, Germany","institution_ids":["https://openalex.org/I4210106926"]},{"raw_affiliation_string":"Computational Phase Studies, Computational Materials Design, Max-Planck-Institut f\u00fcr Eisenforschung GmbH, Max Planck Society","institution_ids":["https://openalex.org/I149899117","https://openalex.org/I4210106926"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025143865","display_name":"Matthe A. Uijttewaal","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I43980791","display_name":"Clausthal University of Technology","ror":"https://ror.org/04qb8nc58","country_code":"DE","type":"education","lineage":["https://openalex.org/I43980791"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Matth\u00e9 Uijttewaal","raw_affiliation_strings":["Technische Universita\u0308t Clausthal, 38678 Clausthal-Zellerfeld, Germany","Technische Universit\u00e4t Clausthal, 38678 Clausthal-Zellerfeld, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Technische Universita\u0308t Clausthal, 38678 Clausthal-Zellerfeld, Germany","institution_ids":["https://openalex.org/I43980791"]},{"raw_affiliation_string":"Technische Universit\u00e4t Clausthal, 38678 Clausthal-Zellerfeld, Germany","institution_ids":["https://openalex.org/I43980791"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020884995","display_name":"A. Al\u2010Zubi","orcid":"https://orcid.org/0000-0002-5268-709X","observed_orcids":["https://orcid.org/0000-0002-5268-709X"]},"institutions":[{"id":"https://openalex.org/I149899117","display_name":"Max Planck Society","ror":"https://ror.org/01hhn8329","country_code":"DE","type":"nonprofit","lineage":["https://openalex.org/I149899117"]},{"id":"https://openalex.org/I4210106926","display_name":"Max-Planck-Institut f\u00fcr Nachhaltige Materialien","ror":"https://ror.org/01ngpvg12","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210106926"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Ali Al\u2010Zubi","raw_affiliation_strings":["Max-Planck-Institut fu\u0308r Eisenforschung GmbH Max-Planck-Stra\u00dfe 1, 40237 Du\u0308sseldorf, Germany","Computational Phase Studies, Computational Materials Design, Max-Planck-Institut f\u00fcr Eisenforschung GmbH, Max Planck Society"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Max-Planck-Institut fu\u0308r Eisenforschung GmbH Max-Planck-Stra\u00dfe 1, 40237 Du\u0308sseldorf, Germany","institution_ids":["https://openalex.org/I4210106926"]},{"raw_affiliation_string":"Computational Phase Studies, Computational Materials Design, Max-Planck-Institut f\u00fcr Eisenforschung GmbH, Max Planck Society","institution_ids":["https://openalex.org/I149899117","https://openalex.org/I4210106926"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000013611","display_name":"Biswanath Dutta","orcid":"https://orcid.org/0000-0003-4675-1646","observed_orcids":["https://orcid.org/0000-0003-4675-1646"]},"institutions":[{"id":"https://openalex.org/I149899117","display_name":"Max Planck Society","ror":"https://ror.org/01hhn8329","country_code":"DE","type":"nonprofit","lineage":["https://openalex.org/I149899117"]},{"id":"https://openalex.org/I4210106926","display_name":"Max-Planck-Institut f\u00fcr Nachhaltige Materialien","ror":"https://ror.org/01ngpvg12","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210106926"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Biswanath Dutta","raw_affiliation_strings":["Max-Planck-Institut fu\u0308r Eisenforschung GmbH Max-Planck-Stra\u00dfe 1, 40237 Du\u0308sseldorf, Germany","Computational Phase Studies, Computational Materials Design, Max-Planck-Institut f\u00fcr Eisenforschung GmbH, Max Planck Society"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Max-Planck-Institut fu\u0308r Eisenforschung GmbH Max-Planck-Stra\u00dfe 1, 40237 Du\u0308sseldorf, Germany","institution_ids":["https://openalex.org/I4210106926"]},{"raw_affiliation_string":"Computational Phase Studies, Computational Materials Design, Max-Planck-Institut f\u00fcr Eisenforschung GmbH, Max Planck Society","institution_ids":["https://openalex.org/I149899117","https://openalex.org/I4210106926"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063712375","display_name":"Blazej Grabowski","orcid":"https://orcid.org/0000-0003-4281-5665","observed_orcids":["https://orcid.org/0000-0003-4281-5665"]},"institutions":[{"id":"https://openalex.org/I149899117","display_name":"Max Planck Society","ror":"https://ror.org/01hhn8329","country_code":"DE","type":"nonprofit","lineage":["https://openalex.org/I149899117"]},{"id":"https://openalex.org/I4210106926","display_name":"Max-Planck-Institut f\u00fcr Nachhaltige Materialien","ror":"https://ror.org/01ngpvg12","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210106926"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Blazej Grabowski","raw_affiliation_strings":["Max-Planck-Institut fu\u0308r Eisenforschung GmbH Max-Planck-Stra\u00dfe 1, 40237 Du\u0308sseldorf, Germany","Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut f\u00fcr Eisenforschung GmbH, Max Planck Society"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Max-Planck-Institut fu\u0308r Eisenforschung GmbH Max-Planck-Stra\u00dfe 1, 40237 Du\u0308sseldorf, Germany","institution_ids":["https://openalex.org/I4210106926"]},{"raw_affiliation_string":"Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut f\u00fcr Eisenforschung GmbH, Max Planck Society","institution_ids":["https://openalex.org/I149899117","https://openalex.org/I4210106926"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5010019307","display_name":"J\u00f6rg Neugebauer","orcid":"https://orcid.org/0000-0002-7903-2472","observed_orcids":["https://orcid.org/0000-0002-7903-2472"]},"institutions":[{"id":"https://openalex.org/I149899117","display_name":"Max Planck Society","ror":"https://ror.org/01hhn8329","country_code":"DE","type":"nonprofit","lineage":["https://openalex.org/I149899117"]},{"id":"https://openalex.org/I4210106926","display_name":"Max-Planck-Institut f\u00fcr Nachhaltige Materialien","ror":"https://ror.org/01ngpvg12","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210106926"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"J\u00f6rg Neugebauer","raw_affiliation_strings":["Max-Planck-Institut fu\u0308r Eisenforschung GmbH Max-Planck-Stra\u00dfe 1, 40237 Du\u0308sseldorf, Germany","Computational Materials Design, Max-Planck-Institut f\u00fcr Eisenforschung GmbH, Max Planck Society"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Max-Planck-Institut fu\u0308r Eisenforschung GmbH Max-Planck-Stra\u00dfe 1, 40237 Du\u0308sseldorf, Germany","institution_ids":["https://openalex.org/I4210106926"]},{"raw_affiliation_string":"Computational Materials Design, Max-Planck-Institut f\u00fcr Eisenforschung GmbH, Max Planck Society","institution_ids":["https://openalex.org/I149899117","https://openalex.org/I4210106926"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5009822181"],"corresponding_institution_ids":["https://openalex.org/I149899117","https://openalex.org/I4210106926"],"apc_list":{"value":4520,"currency":"USD","value_usd":4520},"apc_paid":null,"fwci":1.0431,"has_fulltext":false,"cited_by_count":39,"citation_normalized_percentile":{"value":0.72611414,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"14","issue":"8","first_page":"547","last_page":"561"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10865","display_name":"Shape Memory Alloy Transformations","score":0.9990000128746033,"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/T10865","display_name":"Shape Memory Alloy Transformations","score":0.9990000128746033,"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/T11948","display_name":"Machine Learning in Materials Science","score":9.999999747378752e-05,"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/T10386","display_name":"Microstructure and Mechanical Properties of Steels","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical 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/phase-diagram-prediction","display_name":"phase diagram prediction","score":0.7379999756813049},{"id":"https://openalex.org/keywords/magnetic-shape-memory-alloys","display_name":"magnetic shape memory alloys","score":0.9139999747276306},{"id":"https://openalex.org/keywords/ni-mn-ga","display_name":"Ni-Mn-Ga","score":0.8330000042915344},{"id":"https://openalex.org/keywords/heusler-alloys","display_name":"Heusler alloys","score":0.9929999709129333},{"id":"https://openalex.org/keywords/martensitic-transition-temperature","display_name":"martensitic transition temperature","score":0.9340000152587891},{"id":"https://openalex.org/keywords/exchange-coupling","display_name":"exchange coupling","score":0.9580000042915344},{"id":"https://openalex.org/keywords/first-principles-thermodynamics","display_name":"first-principles thermodynamics","score":0.8050000071525574},{"id":"https://openalex.org/keywords/composition-dependence","display_name":"composition dependence","score":0.6499999761581421},{"id":"https://openalex.org/keywords/phase-transitions","display_name":"phase transitions","score":0.5260000228881836}],"concepts":[{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6910406351089478},{"id":"https://openalex.org/C49097943","wikidata":"https://www.wikidata.org/wiki/Q898455","display_name":"Shape-memory alloy","level":2,"score":0.6659871935844421},{"id":"https://openalex.org/C2780026712","wikidata":"https://www.wikidata.org/wiki/Q37756","display_name":"Alloy","level":2,"score":0.5514972805976868},{"id":"https://openalex.org/C24169881","wikidata":"https://www.wikidata.org/wiki/Q186608","display_name":"Phonon","level":2,"score":0.5210687518119812},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5100696682929993},{"id":"https://openalex.org/C100454173","wikidata":"https://www.wikidata.org/wiki/Q17141429","display_name":"Magnetic shape-memory alloy","level":5,"score":0.5092955827713013},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.4982917308807373},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4716493487358093},{"id":"https://openalex.org/C85906118","wikidata":"https://www.wikidata.org/wiki/Q186693","display_name":"Phase diagram","level":3,"score":0.46630632877349854},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.4530073404312134},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.4242200255393982},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3760293126106262},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.30578115582466125},{"id":"https://openalex.org/C115260700","wikidata":"https://www.wikidata.org/wiki/Q11408","display_name":"Magnetic field","level":2,"score":0.2502362132072449},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.17410001158714294},{"id":"https://openalex.org/C182260160","wikidata":"https://www.wikidata.org/wiki/Q1069637","display_name":"Magnetic domain","level":4,"score":0.15973836183547974},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.15364500880241394},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.06918132305145264},{"id":"https://openalex.org/C32546565","wikidata":"https://www.wikidata.org/wiki/Q856711","display_name":"Magnetization","level":3,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1002/adem.201200092","doi":"https://doi.org/10.1002/adem.201200092","is_oa":false,"landing_page_url":"https://doi.org/10.1002/adem.201200092","pdf_url":null,"source":{"id":"https://openalex.org/S156255550","display_name":"Advanced Engineering Materials","issn_l":"1438-1656","issn":["1438-1656","1527-2648"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-100","russia-white-list-1"],"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":"Advanced Engineering Materials","raw_type":"journal-article"},{"id":"pmh:oai:edoc.mpg.de:582048","doi":null,"is_oa":false,"landing_page_url":"http://edoc.mpg.de/582048","pdf_url":null,"source":{"id":"https://openalex.org/S4406922265","display_name":"Max Planck Institute for Plasma Physics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Talk at Event"},{"id":"pmh:oai:edoc.mpg.de:618220","doi":null,"is_oa":false,"landing_page_url":"http://edoc.mpg.de/618220","pdf_url":null,"source":{"id":"https://openalex.org/S4406922265","display_name":"Max Planck Institute for Plasma Physics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Advanced Engineering Materials, v.14, 547-561 (2012)","raw_type":"Article"},{"id":"pmh:oai:escidoc.org:escidoc:2014091","doi":null,"is_oa":false,"landing_page_url":"http://hdl.handle.net/11858/00-001M-0000-0019-2872-2","pdf_url":null,"source":{"id":"https://openalex.org/S7407052962","display_name":"Max Planck Digital Library","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4210088280","host_organization_name":"Max Planck Digital Library","host_organization_lineage":["https://openalex.org/I4210088280"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:pure.mpg.de:item_2014091","doi":null,"is_oa":false,"landing_page_url":"http://hdl.handle.net/11858/00-001M-0000-0019-2872-2","pdf_url":null,"source":{"id":"https://openalex.org/S4306400654","display_name":"MPG.PuRe (Max Planck Society)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I149899117","host_organization_name":"Max Planck Society","host_organization_lineage":["https://openalex.org/I149899117"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Advanced Engineering Materials","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":91,"referenced_works":["https://openalex.org/W285749399","https://openalex.org/W1514657703","https://openalex.org/W1538337607","https://openalex.org/W1543891172","https://openalex.org/W1550186202","https://openalex.org/W1637902066","https://openalex.org/W1643516036","https://openalex.org/W1678298750","https://openalex.org/W1966144756","https://openalex.org/W1966350438","https://openalex.org/W1967168966","https://openalex.org/W1970127494","https://openalex.org/W1970520267","https://openalex.org/W1970840937","https://openalex.org/W1971541700","https://openalex.org/W1976211035","https://openalex.org/W1976281209","https://openalex.org/W1976820661","https://openalex.org/W1979544533","https://openalex.org/W1981368803","https://openalex.org/W1981653705","https://openalex.org/W1982067377","https://openalex.org/W1984934823","https://openalex.org/W1985065108","https://openalex.org/W1990841280","https://openalex.org/W1991349854","https://openalex.org/W1993401047","https://openalex.org/W1994589790","https://openalex.org/W1998907965","https://openalex.org/W2002088883","https://openalex.org/W2002117414","https://openalex.org/W2005389936","https://openalex.org/W2007995670","https://openalex.org/W2008217599","https://openalex.org/W2010785223","https://openalex.org/W2011034835","https://openalex.org/W2012717830","https://openalex.org/W2016450582","https://openalex.org/W2027995436","https://openalex.org/W2029509672","https://openalex.org/W2029682294","https://openalex.org/W2034780906","https://openalex.org/W2035865124","https://openalex.org/W2036113194","https://openalex.org/W2038319002","https://openalex.org/W2041386534","https://openalex.org/W2044667749","https://openalex.org/W2044740984","https://openalex.org/W2045124708","https://openalex.org/W2046413705","https://openalex.org/W2046505730","https://openalex.org/W2050729144","https://openalex.org/W2055640326","https://openalex.org/W2057516990","https://openalex.org/W2058268842","https://openalex.org/W2058332750","https://openalex.org/W2061641877","https://openalex.org/W2062256400","https://openalex.org/W2063542065","https://openalex.org/W2064234754","https://openalex.org/W2064965436","https://openalex.org/W2068515368","https://openalex.org/W2069508748","https://openalex.org/W2069726283","https://openalex.org/W2071581795","https://openalex.org/W2071877199","https://openalex.org/W2073254784","https://openalex.org/W2073276525","https://openalex.org/W2073298292","https://openalex.org/W2077026980","https://openalex.org/W2080822770","https://openalex.org/W2083222334","https://openalex.org/W2084607663","https://openalex.org/W2086580165","https://openalex.org/W2089107579","https://openalex.org/W2090661327","https://openalex.org/W2090764010","https://openalex.org/W2092572573","https://openalex.org/W2093531344","https://openalex.org/W2093906431","https://openalex.org/W2094334400","https://openalex.org/W2110223140","https://openalex.org/W2125021373","https://openalex.org/W2126129112","https://openalex.org/W2139233668","https://openalex.org/W2143287969","https://openalex.org/W2230728100","https://openalex.org/W2315843238","https://openalex.org/W2329037629","https://openalex.org/W3013766240","https://openalex.org/W3021318801"],"related_works":["https://openalex.org/W2007531240","https://openalex.org/W2044667749","https://openalex.org/W3210127697","https://openalex.org/W2617681074","https://openalex.org/W3013766240","https://openalex.org/W2752549046","https://openalex.org/W7128597883","https://openalex.org/W2084607663","https://openalex.org/W2010994355","https://openalex.org/W7051891121"],"abstract_inverted_index":{"Abstract":[0],"An":[1],"ultimate":[2],"goal":[3,93],"of":[4,10,13,45,63,77,94,103,124],"material":[5],"scientists":[6],"is":[7,97],"the":[8,11,43,53,100,104,114,121],"prediction":[9],"thermodynamics":[12],"tailored":[14],"materials":[15],"solely":[16],"based":[17],"on":[18],"first":[19,88],"principles":[20,89],"methods.":[21],"The":[22,91],"present":[23],"work":[24],"reviews":[25],"recent":[26],"methodological":[27],"developments":[28],"and":[29,42,74,113,126],"advancements":[30],"providing":[31],"thereby":[32],"an":[33,38,72],"up\u2010to\u2010date":[34],"basis":[35],"for":[36,67,86],"such":[37],"approach.":[39,90],"Key":[40],"ideas":[41],"performance":[44],"these":[46,109],"methods":[47],"are":[48,129],"discussed":[49],"with":[50],"respect":[51],"to":[52,98],"Heusler":[54],"alloy":[55,62],"Ni\u2013Mn\u2013Ga":[56,70],"\u2013":[57],"a":[58,82],"prototype":[59],"magnetic":[60,115,127],"shape\u2010memory":[61],"great":[64],"technological":[65],"interest":[66],"various":[68],"applications.":[69],"shows":[71],"interesting":[73],"complex":[75],"sequence":[76],"phase":[78],"transitions,":[79],"rendering":[80],"it":[81],"significant":[83],"theoretical":[84],"challenge":[85],"any":[87],"primary":[92],"this":[95],"investigation":[96],"determine":[99],"composition":[101],"dependence":[102],"martensitic":[105],"transition":[106],"temperature":[107],"in":[108],"alloys.":[110],"Quasiharmonic":[111],"phonons":[112],"exchange":[116],"interactions":[117],"as":[118,120],"well":[119],"delicate":[122],"interplay":[123],"vibrational":[125],"excitations":[128],"taken":[130],"into":[131],"account":[132],"employing":[133],"density":[134],"functional":[135],"theory.":[136]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":4}],"updated_date":"2026-10-14T16:39:01.820549","created_date":"2016-06-24T00:00:00"}