{"id":"https://openalex.org/W2272864591","doi":"https://doi.org/10.1038/sdata.2016.54","title":"High-throughput ab-initio dilute solute diffusion database","display_name":"High-throughput ab-initio dilute solute diffusion database","publication_year":2016,"publication_date":"2016-07-18","ids":{"openalex":"https://openalex.org/W2272864591","doi":"https://doi.org/10.1038/sdata.2016.54","mag":"2272864591","pmid":"https://pubmed.ncbi.nlm.nih.gov/27434308"},"language":"en","primary_location":{"id":"doi:10.1038/sdata.2016.54","doi":"https://doi.org/10.1038/sdata.2016.54","is_oa":true,"landing_page_url":"https://doi.org/10.1038/sdata.2016.54","pdf_url":"https://www.nature.com/articles/sdata201654.pdf","source":{"id":"https://openalex.org/S2607323502","display_name":"Scientific Data","issn_l":"2052-4463","issn":["2052-4463"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-b","jufo-1","ki-jl-1","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Data","raw_type":"journal-article"},"volume":null,"type":"data-paper","indexed_in":["arxiv","crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.nature.com/articles/sdata201654.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Henry Wu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Henry Wu","raw_affiliation_strings":["Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Tam Mayeshiba","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tam Mayeshiba","raw_affiliation_strings":["Materials Science Program, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Materials Science Program, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA","institution_ids":["https://openalex.org/I135310074"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028372112","display_name":"Dane D. Morgan","orcid":"https://orcid.org/0000-0002-4911-0046","observed_orcids":["https://orcid.org/0000-0002-4911-0046"]},"institutions":[{"id":"https://openalex.org/I135310074","display_name":"University of Wisconsin\u2013Madison","ror":"https://ror.org/01y2jtd41","country_code":"US","type":"education","lineage":["https://openalex.org/I135310074"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Dane Morgan","raw_affiliation_strings":["Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA"],"raw_orcid":"https://orcid.org/0000-0002-4911-0046","affiliations":[{"raw_affiliation_string":"Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA","institution_ids":["https://openalex.org/I135310074"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5028372112"],"corresponding_institution_ids":["https://openalex.org/I135310074"],"apc_list":{"value":2490,"currency":"USD","value_usd":2490},"apc_paid":{"value":2490,"currency":"USD","value_usd":2490},"fwci":null,"has_fulltext":true,"cited_by_count":137,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":"3","issue":"1","first_page":"160054","last_page":"160054"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13645","display_name":"Thermodynamic and Structural Properties of Metals and Alloys","score":0.6557999849319458,"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"}},"topics":[{"id":"https://openalex.org/T13645","display_name":"Thermodynamic and Structural Properties of Metals and Alloys","score":0.6557999849319458,"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"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.3043999969959259,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.010900000110268593,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/solute-diffusion","display_name":"solute diffusion","score":0.9750000238418579},{"id":"https://openalex.org/keywords/dilute-alloys","display_name":"dilute alloys","score":0.7950000166893005},{"id":"https://openalex.org/keywords/activation-barrier","display_name":"activation barrier","score":0.7300000190734863},{"id":"https://openalex.org/keywords/magnesium","display_name":"magnesium","score":0.34599998593330383},{"id":"https://openalex.org/keywords/aluminum","display_name":"aluminum","score":0.9549999833106995},{"id":"https://openalex.org/keywords/copper","display_name":"copper","score":1.0},{"id":"https://openalex.org/keywords/nickel","display_name":"nickel","score":1.0},{"id":"https://openalex.org/keywords/palladium","display_name":"palladium","score":0.9980000257492065},{"id":"https://openalex.org/keywords/platinum","display_name":"platinum","score":0.9900000095367432}],"concepts":[{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.8425999879837036},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.5390999913215637},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.5321999788284302},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4562999904155731},{"id":"https://openalex.org/C70816921","wikidata":"https://www.wikidata.org/wiki/Q258852","display_name":"Effective diffusion coefficient","level":3,"score":0.4327000081539154},{"id":"https://openalex.org/C192239200","wikidata":"https://www.wikidata.org/wiki/Q7448071","display_name":"Self-diffusion","level":3,"score":0.3828999996185303},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3774999976158142},{"id":"https://openalex.org/C55037315","wikidata":"https://www.wikidata.org/wiki/Q5421151","display_name":"Experimental data","level":2,"score":0.33149999380111694},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.32589998841285706},{"id":"https://openalex.org/C2986659545","wikidata":"https://www.wikidata.org/wiki/Q7280376","display_name":"Diffusion theory","level":3,"score":0.32100000977516174},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.29589998722076416},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.25760000944137573}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1038/sdata.2016.54","doi":"https://doi.org/10.1038/sdata.2016.54","is_oa":true,"landing_page_url":"https://doi.org/10.1038/sdata.2016.54","pdf_url":"https://www.nature.com/articles/sdata201654.pdf","source":{"id":"https://openalex.org/S2607323502","display_name":"Scientific Data","issn_l":"2052-4463","issn":["2052-4463"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-b","jufo-1","ki-jl-1","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Data","raw_type":"journal-article"},{"id":"pmid:27434308","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/27434308","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific data","raw_type":"Journal Article"},{"id":"pmh:oai:arXiv.org:1602.01725","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/1602.01725","pdf_url":"https://arxiv.org/pdf/1602.01725","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"pmh:oai:europepmc.org:3924725","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4950524","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:4950524","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4950524","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Sci Data","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1038/sdata.2016.54","doi":"https://doi.org/10.1038/sdata.2016.54","is_oa":true,"landing_page_url":"https://doi.org/10.1038/sdata.2016.54","pdf_url":"https://www.nature.com/articles/sdata201654.pdf","source":{"id":"https://openalex.org/S2607323502","display_name":"Scientific Data","issn_l":"2052-4463","issn":["2052-4463"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-b","jufo-1","ki-jl-1","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Data","raw_type":"journal-article"},"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G8051870129","display_name":"GRADUATE RESEARCH FELLOWSHIP PROGRAM","funder_award_id":"0718123","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G8954587725","display_name":"SI2-SSI: Collaborative Research:  A Computational Materials Data and Design Environment","funder_award_id":"1148011","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320309825","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2272864591.pdf","grobid_xml":"https://content.openalex.org/works/W2272864591.grobid-xml"},"referenced_works_count":28,"referenced_works":["https://openalex.org/W1970127494","https://openalex.org/W1973350951","https://openalex.org/W1976908831","https://openalex.org/W1979544533","https://openalex.org/W1981368803","https://openalex.org/W1997785673","https://openalex.org/W1998141434","https://openalex.org/W2004214438","https://openalex.org/W2004356761","https://openalex.org/W2007395042","https://openalex.org/W2014497244","https://openalex.org/W2015197254","https://openalex.org/W2021262992","https://openalex.org/W2025964168","https://openalex.org/W2051717851","https://openalex.org/W2054704030","https://openalex.org/W2060653320","https://openalex.org/W2079105963","https://openalex.org/W2083222334","https://openalex.org/W2084828962","https://openalex.org/W2087698390","https://openalex.org/W2095340137","https://openalex.org/W2097912463","https://openalex.org/W2114425363","https://openalex.org/W2145074167","https://openalex.org/W4299136476","https://openalex.org/W4394561897","https://openalex.org/W6968977584"],"related_works":[],"abstract_inverted_index":{"We":[0,41,59],"demonstrate":[1],"automated":[2],"generation":[3],"of":[4,16,56,75,92],"diffusion":[5,22,39,48,66,97],"databases":[6],"from":[7],"high-throughput":[8],"density":[9],"functional":[10],"theory":[11],"(DFT)":[12],"calculations.":[13],"A":[14],"total":[15],"more":[17],"than":[18],"230":[19],"dilute":[20],"solute":[21,47,65,96],"systems":[23],"in":[24,49,82,99],"Mg,":[25],"Al,":[26],"Cu,":[27],"Ni,":[28],"Pd,":[29],"and":[30,53],"Pt":[31],"host":[32,57],"lattices":[33],"have":[34],"been":[35],"determined":[36],"using":[37,51],"multi-frequency":[38],"models.":[40],"apply":[42],"a":[43,69],"correction":[44],"method":[45],"for":[46],"alloys":[50],"experimental":[52,64],"simulated":[54],"values":[55],"self-diffusivity.":[58],"find":[60],"good":[61],"agreement":[62],"with":[63],"data,":[67],"obtaining":[68],"weighted":[70],"activation":[71],"barrier":[72],"RMS":[73],"error":[74],"0.176":[76],"eV":[77],"when":[78],"excluding":[79],"magnetic":[80],"solutes":[81],"non-magnetic":[83],"alloys.":[84],"The":[85],"compiled":[86],"database":[87],"is":[88],"the":[89,100],"largest":[90],"collection":[91],"consistently":[93],"calculated":[94],"ab-initio":[95],"data":[98],"world.":[101]},"counts_by_year":[{"year":2026,"cited_by_count":10},{"year":2025,"cited_by_count":12},{"year":2024,"cited_by_count":14},{"year":2023,"cited_by_count":13},{"year":2022,"cited_by_count":18},{"year":2021,"cited_by_count":15},{"year":2020,"cited_by_count":21},{"year":2019,"cited_by_count":12},{"year":2018,"cited_by_count":9},{"year":2017,"cited_by_count":9},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":1}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2016-06-24T00:00:00"}
