{"id":"https://openalex.org/W2332720007","doi":"https://doi.org/10.1166/jctn.2010.1486","title":"Modeling of Dislocation Interaction with Solutes, Nano-Precipitates and Interfaces: A Multiscale Challenge","display_name":"Modeling of Dislocation Interaction with Solutes, Nano-Precipitates and Interfaces: A Multiscale Challenge","publication_year":2010,"publication_date":"2010-05-27","ids":{"openalex":"https://openalex.org/W2332720007","doi":"https://doi.org/10.1166/jctn.2010.1486","mag":"2332720007"},"language":"en","primary_location":{"id":"doi:10.1166/jctn.2010.1486","doi":"https://doi.org/10.1166/jctn.2010.1486","is_oa":false,"landing_page_url":"https://doi.org/10.1166/jctn.2010.1486","pdf_url":null,"source":{"id":"https://openalex.org/S6195976","display_name":"Journal of Computational and Theoretical Nanoscience","issn_l":"1546-1955","issn":["1546-1955","1546-1963"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310321646","host_organization_name":"American Scientific Publishers","host_organization_lineage":["https://openalex.org/P4310321646"],"host_organization_lineage_names":["American Scientific Publishers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational and Theoretical Nanoscience","raw_type":"journal-article"},"volume":null,"type":"article","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/A5056810686","display_name":"Nicholas Kioussis","orcid":"https://orcid.org/0000-0002-3277-3716","observed_orcids":["https://orcid.org/0000-0002-3277-3716"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nicholas G. Kioussis","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5046922232","display_name":"Nasr M. Ghoniem","orcid":"https://orcid.org/0000-0002-3549-646X","observed_orcids":["https://orcid.org/0000-0002-3549-646X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nasr M. Ghoniem","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.6288,"has_fulltext":false,"cited_by_count":27,"citation_normalized_percentile":{"value":0.67878365,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"7","issue":"8","first_page":"1317","last_page":"1346"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10204","display_name":"Microstructure and mechanical properties","score":0.951200008392334,"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/T10204","display_name":"Microstructure and mechanical properties","score":0.951200008392334,"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/T10592","display_name":"Fusion materials and technologies","score":0.034699998795986176,"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/T11100","display_name":"Intermetallics and Advanced Alloy Properties","score":0.00279999990016222,"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/dislocation-interactions","display_name":"dislocation interactions","score":0.6650000214576721},{"id":"https://openalex.org/keywords/solute-dislocation-interaction","display_name":"dislocation-solute interaction","score":0.6949999928474426},{"id":"https://openalex.org/keywords/nanoprecipitates","display_name":"nanoprecipitates","score":0.906000018119812},{"id":"https://openalex.org/keywords/dislocation-interface-interaction","display_name":"dislocation-interface interaction","score":0.8519999980926514},{"id":"https://openalex.org/keywords/multiscale-modeling","display_name":"multiscale modeling","score":0.8270000219345093},{"id":"https://openalex.org/keywords/dislocation-core-structure","display_name":"dislocation core structure","score":0.8119999766349792},{"id":"https://openalex.org/keywords/screw-dislocation-mobility","display_name":"screw dislocation mobility","score":0.8460000157356262},{"id":"https://openalex.org/keywords/edge-dislocations","display_name":"edge dislocations","score":0.609000027179718},{"id":"https://openalex.org/keywords/peierls-nabarro-model","display_name":"Peierls-Nabarro model","score":0.9810000061988831},{"id":"https://openalex.org/keywords/stacking-fault-energy","display_name":"stacking fault energy","score":0.7990000247955322},{"id":"https://openalex.org/keywords/dislocation-strengthening","display_name":"dislocation strengthening","score":0.6639999747276306},{"id":"https://openalex.org/keywords/superdislocations","display_name":"superdislocations","score":0.6549999713897705},{"id":"https://openalex.org/keywords/nickel-based-superalloy","display_name":"nickel-based superalloy","score":0.7599999904632568}],"concepts":[{"id":"https://openalex.org/C159122135","wikidata":"https://www.wikidata.org/wiki/Q737571","display_name":"Dislocation","level":2,"score":0.7400665283203125},{"id":"https://openalex.org/C2780357685","wikidata":"https://www.wikidata.org/wiki/Q154357","display_name":"Nano-","level":2,"score":0.6629223823547363},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5965664982795715},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4297429919242859},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.34119439125061035},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.32362180948257446},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.23891764879226685},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1395285725593567},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.1120385229587555}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1166/jctn.2010.1486","doi":"https://doi.org/10.1166/jctn.2010.1486","is_oa":false,"landing_page_url":"https://doi.org/10.1166/jctn.2010.1486","pdf_url":null,"source":{"id":"https://openalex.org/S6195976","display_name":"Journal of Computational and Theoretical Nanoscience","issn_l":"1546-1955","issn":["1546-1955","1546-1963"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310321646","host_organization_name":"American Scientific Publishers","host_organization_lineage":["https://openalex.org/P4310321646"],"host_organization_lineage_names":["American Scientific Publishers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational and Theoretical Nanoscience","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[{"score":0.6399999856948853,"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":5,"referenced_works":["https://openalex.org/W407669220","https://openalex.org/W577523505","https://openalex.org/W1510559768","https://openalex.org/W2007427596","https://openalex.org/W2790541846"],"related_works":["https://openalex.org/W2252755468","https://openalex.org/W1981838699","https://openalex.org/W2165216322","https://openalex.org/W4394662713","https://openalex.org/W1990726503","https://openalex.org/W3163488017","https://openalex.org/W4408231147","https://openalex.org/W2125057563","https://openalex.org/W6980602276","https://openalex.org/W1491886829"],"abstract_inverted_index":{"We":[0,128,143,175],"review":[1,19],"here":[2],"several":[3],"multiscale":[4,226],"methods":[5],"that":[6,177,301,442],"we":[7],"have":[8,144],"developed":[9],"to":[10,87,148,266,320,354,380,412],"determine":[11],"dislocation":[12,22,43,158,165,193,203,221,245,250,293,314,375,409,423],"properties":[13,24,124],"and":[14,27,52,57,65,74,141,153,161,172,195,270,336,419,421,434,459],"interactions":[15,108],"in":[16,25,44,54,109,159,166,184,219,251,304,317,322,366,385,416],"metals.":[17,174,253],"The":[18,223,254,296,344,374],"includes:":[20],"(1)":[21],"core":[23,151,246,309,334,376,424],"fcc":[26,171],"bcc":[28,45,173,252],"metals;":[29,46],"(2)":[30],"the":[31,38,48,59,69,80,122,131,134,150,178,192,202,211,241,244,263,268,271,275,283,291,308,333,338,356,367,387,399,405,408,422,428,431,443,446,453,456,463],"effect":[32,189],"of":[33,40,61,125,155,162,181,207,215,234,243,247,262,282,311,358,370,445,455,465],"solutes":[34,183,200],"or":[35,117],"nanoprecipitates":[36],"on":[37,191,259,393],"mobility":[39,154,194],"a":[41,88,93,110,126,163,187,229,248,312,359,362,371],"screw":[42,164,249,313],"(3)":[47],"interaction":[49,350,357],"between":[50],"dislocations":[51,62],"precipitates":[53],"intermetallic":[55],"compounds;":[56],"(4)":[58],"transmission":[60],"through":[63],"coherent":[64],"incoherent":[66],"interfaces.":[67],"In":[68,326],"concurrent":[70],"quantum":[71,81,106],"mechanical":[72,76,82,107],"(QM)":[73],"molecular":[75],"(MM)":[77],"coupling":[78,132],"approach,":[79,257],"treatment":[83],"is":[84,100,228,410,425,440],"spatially":[85],"confined":[86],"small":[89,111],"region,":[90,112],"surrounded":[91],"by":[92,452,462],"larger":[94],"classical":[95],"atomistic":[96,276],"region.":[97],"This":[98],"approach":[99,227,233],"particularly":[101],"useful":[102],"for":[103,398],"systems":[104],"where":[105],"such":[113],"as":[114],"lattice":[115],"defects":[116],"chemical":[118],"impurities,":[119],"can":[120,137,448],"affect":[121],"macroscopic":[123],"material.":[127],"discuss":[129],"how":[130],"across":[133],"different":[135,349],"scales":[136],"be":[138,449],"accomplished":[139],"efficiently":[140],"accurately.":[142],"applied":[145,353],"this":[146],"method":[147,346],"study":[149,242,267,355],"structure":[152,310,377],"an":[156,260,382,436],"edge":[157],"Al":[160],"Ta,":[167],"which":[168,239],"are":[169,402],"prototypical":[170],"find":[176],"local":[179],"environment":[180],"W":[182,199,205],"Ta":[185],"has":[186],"dramatic":[188],"both":[190,417],"slip":[196],"paths.":[197],"Isolated":[198],"enhance":[201],"mobility,":[204],"nanoclusters":[206],"triangular":[208],"shape":[209,217],"pin":[210],"dislocation,":[212,458],"while":[213],"those":[214],"hexagonal":[216],"result":[218],"spontaneous":[220],"glide.":[222],"first":[224],"sequential":[225],"hybrid":[230,256,345],"ab":[231,279,297],"initio-based":[232,298],"Suzuki\u2019s":[235],"atomic-row":[236],"(AR)":[237],"model,":[238],"allows":[240],"second":[255],"based":[258],"extension":[261],"Peierls-Nabarro":[264],"model":[265],"dislocation-interface":[269],"dislocation-precipitate":[272],"interactions,":[273],"integrates":[274],"nature":[277],"from":[278,315],"initio":[280],"calculations":[281,299],"generalized":[284],"stacking":[285],"fault":[286],"energy":[287],"surface":[288],"(GSFS)":[289],"into":[290,414],"parametric":[292],"dynamics":[294],"method.":[295],"reveal":[300],"Cu":[302,418],"nano-clusters":[303],"-Fe":[305],"dramatically":[306],"alter":[307],"non-polarized":[316],"pure":[318],"Fe":[319],"polarized,":[321],"agreement":[323],"with":[324,347,361],"experiments.":[325],"contrast,":[327],"Cr":[328],"clusters":[329],"do":[330],"not":[331],"change":[332],"polarization":[335],"increase":[337],"Peierls":[339],"stress,":[340],"thus":[341],"hardening":[342],"Fe.":[343],"four":[348],"models":[351],"was":[352,378],"superdislocation":[360],"spherical":[363],"-precipitate":[364],"embedded":[365],"\ufffd":[368],"-matrix":[369],"nickel-based":[372],"superalloy.":[373],"found":[379,411],"play":[381],"important":[383],"role":[384],"determining":[386],"critical":[388],"resolved":[389],"shear":[390],"stress.":[391],"Based":[392],"these":[394],"simulations,":[395],"analytical":[396],"equations":[397],"precipitate":[400],"strengthening":[401],"derived.":[403],"For":[404],"Cu/Ni":[406],"interface,":[407],"dissociate":[413],"partials":[415],"Ni,":[420],"squeezed":[426],"near":[427],"interface":[429],"facilitating":[430],"spreading":[432,454],"process,":[433],"leaving":[435],"interfacial":[437],"ledge.":[438],"It":[439],"shown":[441],"strength":[444],"bimaterial":[447],"greatly":[450],"enhanced":[451],"glide":[457],"also":[460],"increased":[461],"pre-existence":[464],"misfit":[466],"dislocations.":[467]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":3}],"updated_date":"2026-08-12T21:12:35.861297","created_date":"2016-06-24T00:00:00"}