{"id":"https://openalex.org/W2003018689","doi":"https://doi.org/10.1063/1.3042211","title":"Effect of dopants on grain boundary decohesion of Ni: A first-principles study","display_name":"Effect of dopants on grain boundary decohesion of Ni: A first-principles study","publication_year":2008,"publication_date":"2008-12-01","ids":{"openalex":"https://openalex.org/W2003018689","doi":"https://doi.org/10.1063/1.3042211","mag":"2003018689"},"language":"en","primary_location":{"id":"doi:10.1063/1.3042211","doi":"https://doi.org/10.1063/1.3042211","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.3042211","pdf_url":null,"source":{"id":"https://openalex.org/S105243760","display_name":"Applied Physics Letters","issn_l":"0003-6951","issn":["0003-6951","1077-3118","1520-8842"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-1","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Applied Physics Letters","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/A5110746558","display_name":"Suchismita Sanyal","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210142581","display_name":"General Electric (India)","ror":"https://ror.org/04dd9ss52","country_code":"IN","type":"company","lineage":["https://openalex.org/I1332737386","https://openalex.org/I4210142581"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Suchismita Sanyal","raw_affiliation_strings":["GE Global Research 1 , Hoodi Village, Whitefield Road, Bangalore 560066, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"GE Global Research 1 , Hoodi Village, Whitefield Road, Bangalore 560066, India","institution_ids":["https://openalex.org/I4210142581"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016399730","display_name":"Umesh Vasudeo Waghmare","orcid":"https://orcid.org/0000-0002-9378-155X","observed_orcids":["https://orcid.org/0000-0002-9378-155X"]},"institutions":[{"id":"https://openalex.org/I147481903","display_name":"Jawaharlal Nehru Centre for Advanced Scientific Research","ror":"https://ror.org/0538gdx71","country_code":"IN","type":"facility","lineage":["https://openalex.org/I147481903","https://openalex.org/I2799351866","https://openalex.org/I4210098748","https://openalex.org/I4210134808"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Umesh V. Waghmare","raw_affiliation_strings":["Jawaharlal Nehru Centre for Advanced Scientific Research 2 Theoretical Sciences Unit, , Jakkur, Bangalore 560 064, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Jawaharlal Nehru Centre for Advanced Scientific Research 2 Theoretical Sciences Unit, , Jakkur, Bangalore 560 064, India","institution_ids":["https://openalex.org/I147481903"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005180960","display_name":"P. R. Subramanian","orcid":"https://orcid.org/0000-0002-0454-2021","observed_orcids":["https://orcid.org/0000-0002-0454-2021"]},"institutions":[{"id":"https://openalex.org/I4210134512","display_name":"GE Global Research (United States)","ror":"https://ror.org/03e06qt98","country_code":"US","type":"company","lineage":["https://openalex.org/I4210134512"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"P. R. Subramanian","raw_affiliation_strings":["GE Global Research 3 , 1 Research Circle, Niskayuna, New York 12309, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"GE Global Research 3 , 1 Research Circle, Niskayuna, New York 12309, USA","institution_ids":["https://openalex.org/I4210134512"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5026876473","display_name":"Michael F. X. Gigliotti","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210134512","display_name":"GE Global Research (United States)","ror":"https://ror.org/03e06qt98","country_code":"US","type":"company","lineage":["https://openalex.org/I4210134512"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael F. X. Gigliotti","raw_affiliation_strings":["GE Global Research 3 , 1 Research Circle, Niskayuna, New York 12309, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"GE Global Research 3 , 1 Research Circle, Niskayuna, New York 12309, USA","institution_ids":["https://openalex.org/I4210134512"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":2.1497,"has_fulltext":false,"cited_by_count":60,"citation_normalized_percentile":{"value":0.85471429,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":98},"biblio":{"volume":"93","issue":"22","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10204","display_name":"Microstructure and mechanical properties","score":0.9916999936103821,"subfield":{"id":"https://openalex.org/subfields/2506","display_name":"Metals and Alloys"},"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/T10204","display_name":"Microstructure and mechanical properties","score":0.9916999936103821,"subfield":{"id":"https://openalex.org/subfields/2506","display_name":"Metals and Alloys"},"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/T10592","display_name":"Fusion materials and technologies","score":0.004000000189989805,"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/T11143","display_name":"High Entropy Alloys Studies","score":0.001500000013038516,"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/grain-boundary-decohesion","display_name":"grain boundary decohesion","score":0.9430000185966492},{"id":"https://openalex.org/keywords/nickel","display_name":"nickel","score":0.878000020980835},{"id":"https://openalex.org/keywords/doping-effects","display_name":"dopant effects","score":0.8130000233650208},{"id":"https://openalex.org/keywords/cleavage-energy","display_name":"cleavage energy","score":0.7250000238418579},{"id":"https://openalex.org/keywords/grain-boundary-strengthening","display_name":"grain boundary strengthening","score":0.7900000214576721},{"id":"https://openalex.org/keywords/boron-doping","display_name":"boron doping","score":0.7580000162124634},{"id":"https://openalex.org/keywords/chromium-doping","display_name":"chromium doping","score":0.8709999918937683},{"id":"https://openalex.org/keywords/hafnium-doping","display_name":"hafnium doping","score":0.9980000257492065},{"id":"https://openalex.org/keywords/sulfur-doping","display_name":"sulfur doping","score":0.8090000152587891},{"id":"https://openalex.org/keywords/carbon-doping","display_name":"carbon doping","score":0.9909999966621399},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"electronic structure","score":0.7889999747276306}],"concepts":[{"id":"https://openalex.org/C191952053","wikidata":"https://www.wikidata.org/wiki/Q15119237","display_name":"Dopant","level":3,"score":0.8709009289741516},{"id":"https://openalex.org/C47908070","wikidata":"https://www.wikidata.org/wiki/Q900515","display_name":"Grain boundary","level":3,"score":0.7998975515365601},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.7839910387992859},{"id":"https://openalex.org/C57863236","wikidata":"https://www.wikidata.org/wiki/Q1130571","display_name":"Doping","level":2,"score":0.6638583540916443},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6138016581535339},{"id":"https://openalex.org/C175156509","wikidata":"https://www.wikidata.org/wiki/Q1990218","display_name":"Cleavage (geology)","level":3,"score":0.4724051356315613},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.4326988756656647},{"id":"https://openalex.org/C192191005","wikidata":"https://www.wikidata.org/wiki/Q466491","display_name":"Grain size","level":2,"score":0.4323594570159912},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.41833487153053284},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.35527801513671875},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.3229712247848511},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.29841911792755127},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.17368242144584656},{"id":"https://openalex.org/C87976508","wikidata":"https://www.wikidata.org/wiki/Q1498213","display_name":"Microstructure","level":2,"score":0.16416415572166443},{"id":"https://openalex.org/C43369102","wikidata":"https://www.wikidata.org/wiki/Q2307625","display_name":"Fracture (geology)","level":2,"score":0.15136131644248962},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1350579857826233},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.06044363975524902},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.05446982383728027}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1063/1.3042211","doi":"https://doi.org/10.1063/1.3042211","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.3042211","pdf_url":null,"source":{"id":"https://openalex.org/S105243760","display_name":"Applied Physics Letters","issn_l":"0003-6951","issn":["0003-6951","1077-3118","1520-8842"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-1","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Applied Physics Letters","raw_type":"journal-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":20,"referenced_works":["https://openalex.org/W285749399","https://openalex.org/W1970127494","https://openalex.org/W1975874773","https://openalex.org/W1998866028","https://openalex.org/W2000220498","https://openalex.org/W2000345135","https://openalex.org/W2000852379","https://openalex.org/W2015073138","https://openalex.org/W2034135639","https://openalex.org/W2045080857","https://openalex.org/W2060080048","https://openalex.org/W2083222334","https://openalex.org/W2110639779","https://openalex.org/W2117868972","https://openalex.org/W2154939351","https://openalex.org/W2171123244","https://openalex.org/W2230728100","https://openalex.org/W2289276300","https://openalex.org/W3206606417","https://openalex.org/W4255993635"],"related_works":["https://openalex.org/W1990019638","https://openalex.org/W2078578916","https://openalex.org/W2019143962","https://openalex.org/W2094406283","https://openalex.org/W4200510246","https://openalex.org/W1981013200","https://openalex.org/W2347146988","https://openalex.org/W2016800858","https://openalex.org/W2041319731","https://openalex.org/W3215577883"],"abstract_inverted_index":{"First-principles":[0],"density":[1],"functional":[2],"theory":[3],"(DFT)":[4],"calculations":[5],"were":[6,36],"used":[7,41],"to":[8,42],"determine":[9],"decohesion":[10],"properties":[11,45],"of":[12,16,29,48,54,61,92],"\u03a35(012)":[13],"grain":[14,64,76],"boundary":[15,65,77],"Ni":[17,63],"with":[18,52,79,97],"dopants":[19],"B,":[20,69],"C,":[21],"S,":[22],"Cr,":[23],"and":[24,33,70,81],"Hf.":[25],"The":[26],"relative":[27],"stability":[28],"sites":[30],"was":[31,40,57],"evaluated":[32],"cleavage":[34],"energies":[35],"calculated.":[37],"Electronic":[38],"structure":[39],"understand":[43],"these":[44],"in":[46,50,89],"terms":[47],"changes":[49],"bonding":[51],"addition":[53],"dopants.":[55],"It":[56],"found":[58],"that":[59],"strengthening":[60],"the":[62,75,90],"results":[66,85],"from":[67],"Hf,":[68],"Cr":[71],"doping.":[72,83],"In":[73],"contrast,":[74],"weakens":[78],"S":[80],"C":[82],"These":[84],"should":[86],"be":[87],"useful":[88],"design":[91],"next-generation":[93],"nanostructured":[94],"Ni-based":[95],"alloys":[96],"improved":[98],"mechanical":[99],"behavior.":[100]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":7},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":6},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":4},{"year":2012,"cited_by_count":3}],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2016-06-24T00:00:00"}
