{"id":"https://openalex.org/W2015081269","doi":"https://doi.org/10.4028/www.scientific.net/ddf.323-325.215","title":"Molecular Dynamics Study of Grain Boundary Diffusion of Fission Gas in Uranium Dioxide","display_name":"Molecular Dynamics Study of Grain Boundary Diffusion of Fission Gas in Uranium Dioxide","publication_year":2012,"publication_date":"2012-04-12","ids":{"openalex":"https://openalex.org/W2015081269","doi":"https://doi.org/10.4028/www.scientific.net/ddf.323-325.215","mag":"2015081269"},"language":"en","primary_location":{"id":"doi:10.4028/www.scientific.net/ddf.323-325.215","doi":"https://doi.org/10.4028/www.scientific.net/ddf.323-325.215","is_oa":false,"landing_page_url":"https://doi.org/10.4028/www.scientific.net/ddf.323-325.215","pdf_url":null,"source":{"id":"https://openalex.org/S82754758","display_name":"Defect and diffusion forum/Diffusion and defect data, solid state data. Part A, Defect and diffusion forum","issn_l":"1012-0386","issn":["1012-0386","1662-9507","1662-9515"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","jufo-1","norway-1","poland-20","russia-white-list-2"],"host_organization":"https://openalex.org/P4310317839","host_organization_name":"Trans Tech Publications","host_organization_lineage":["https://openalex.org/P4310317839"],"host_organization_lineage_names":["Trans Tech Publications"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Defect and Diffusion Forum","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/A5085857159","display_name":"Kevin Govers","orcid":"https://orcid.org/0000-0003-2196-3124","observed_orcids":["https://orcid.org/0000-0003-2196-3124"]},"institutions":[{"id":"https://openalex.org/I4210114391","display_name":"Belgian Nuclear Research Centre","ror":"https://ror.org/020xs5r81","country_code":"BE","type":"facility","lineage":["https://openalex.org/I4210114391"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Kevin Govers","raw_affiliation_strings":["Belgian Nuclear Research Center (SCK\u2022CEN)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Belgian Nuclear Research Center (SCK\u2022CEN)","institution_ids":["https://openalex.org/I4210114391"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057972849","display_name":"Sergei E. Lemehov","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114391","display_name":"Belgian Nuclear Research Centre","ror":"https://ror.org/020xs5r81","country_code":"BE","type":"facility","lineage":["https://openalex.org/I4210114391"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Sergei E. Lemehov","raw_affiliation_strings":["Belgian Nuclear Research Center (SCK\u2022CEN)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Belgian Nuclear Research Center (SCK\u2022CEN)","institution_ids":["https://openalex.org/I4210114391"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5084650182","display_name":"Marc Verwerft","orcid":"https://orcid.org/0000-0002-2385-6093","observed_orcids":["https://orcid.org/0000-0002-2385-6093"]},"institutions":[{"id":"https://openalex.org/I4210114391","display_name":"Belgian Nuclear Research Centre","ror":"https://ror.org/020xs5r81","country_code":"BE","type":"facility","lineage":["https://openalex.org/I4210114391"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Marc Verwerft","raw_affiliation_strings":["Belgian Nuclear Research Center (SCK\u2022CEN)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Belgian Nuclear Research Center (SCK\u2022CEN)","institution_ids":["https://openalex.org/I4210114391"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I4210114391"],"apc_list":null,"apc_paid":null,"fwci":0.3911,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.52253514,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":95},"biblio":{"volume":"323-325","issue":null,"first_page":"215","last_page":"220"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11242","display_name":"Nuclear Materials and Properties","score":0.9994999766349792,"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/T11242","display_name":"Nuclear Materials and Properties","score":0.9994999766349792,"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":0.0003000000142492354,"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/T13465","display_name":"Graphite, nuclear technology, radiation studies","score":0.0,"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/grain-boundary-diffusion","display_name":"grain boundary diffusion","score":0.8379999995231628},{"id":"https://openalex.org/keywords/fission-gas","display_name":"fission gas","score":0.9509999752044678},{"id":"https://openalex.org/keywords/uranium-dioxide","display_name":"uranium dioxide","score":0.8190000057220459},{"id":"https://openalex.org/keywords/xenon-diffusion","display_name":"xenon diffusion","score":0.8880000114440918},{"id":"https://openalex.org/keywords/voronoi-cells","display_name":"Voronoi cells","score":0.7860000133514404},{"id":"https://openalex.org/keywords/fission-gas-release","display_name":"fission gas release","score":0.7450000047683716},{"id":"https://openalex.org/keywords/nuclear-fuel","display_name":"nuclear fuel","score":0.48399999737739563},{"id":"https://openalex.org/keywords/noble-gases","display_name":"noble gases","score":0.36399999260902405}],"concepts":[{"id":"https://openalex.org/C12294094","wikidata":"https://www.wikidata.org/wiki/Q929080","display_name":"Fission","level":3,"score":0.785466730594635},{"id":"https://openalex.org/C2778472420","wikidata":"https://www.wikidata.org/wiki/Q378379","display_name":"Uranium dioxide","level":3,"score":0.7525972127914429},{"id":"https://openalex.org/C103522932","wikidata":"https://www.wikidata.org/wiki/Q55611724","display_name":"Fission products","level":2,"score":0.6217604875564575},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.5993536710739136},{"id":"https://openalex.org/C47908070","wikidata":"https://www.wikidata.org/wiki/Q900515","display_name":"Grain boundary","level":3,"score":0.5424237251281738},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4830192029476166},{"id":"https://openalex.org/C2778260006","wikidata":"https://www.wikidata.org/wiki/Q306811","display_name":"Burnup","level":2,"score":0.4787268340587616},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.47213345766067505},{"id":"https://openalex.org/C137637335","wikidata":"https://www.wikidata.org/wiki/Q899604","display_name":"Crystallite","level":2,"score":0.4544012248516083},{"id":"https://openalex.org/C2779819667","wikidata":"https://www.wikidata.org/wiki/Q194523","display_name":"Nuclear fuel","level":2,"score":0.42102959752082825},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3729061186313629},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.3425915241241455},{"id":"https://openalex.org/C555451288","wikidata":"https://www.wikidata.org/wiki/Q1098","display_name":"Uranium","level":2,"score":0.3246306777000427},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2738794684410095},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.20599240064620972},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.19294771552085876},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.12040537595748901},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.1027224063873291},{"id":"https://openalex.org/C87976508","wikidata":"https://www.wikidata.org/wiki/Q1498213","display_name":"Microstructure","level":2,"score":0.09983363747596741},{"id":"https://openalex.org/C152568617","wikidata":"https://www.wikidata.org/wiki/Q2348","display_name":"Neutron","level":2,"score":0.08726939558982849}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.4028/www.scientific.net/ddf.323-325.215","doi":"https://doi.org/10.4028/www.scientific.net/ddf.323-325.215","is_oa":false,"landing_page_url":"https://doi.org/10.4028/www.scientific.net/ddf.323-325.215","pdf_url":null,"source":{"id":"https://openalex.org/S82754758","display_name":"Defect and diffusion forum/Diffusion and defect data, solid state data. Part A, Defect and diffusion forum","issn_l":"1012-0386","issn":["1012-0386","1662-9507","1662-9515"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","jufo-1","norway-1","poland-20","russia-white-list-2"],"host_organization":"https://openalex.org/P4310317839","host_organization_name":"Trans Tech Publications","host_organization_lineage":["https://openalex.org/P4310317839"],"host_organization_lineage_names":["Trans Tech Publications"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Defect and Diffusion Forum","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":12,"referenced_works":["https://openalex.org/W1533081299","https://openalex.org/W1970776500","https://openalex.org/W1974215311","https://openalex.org/W2011984317","https://openalex.org/W2012836569","https://openalex.org/W2018220728","https://openalex.org/W2018447179","https://openalex.org/W2022235442","https://openalex.org/W2045677467","https://openalex.org/W2065739787","https://openalex.org/W2082438193","https://openalex.org/W2089635348"],"related_works":["https://openalex.org/W4365444560","https://openalex.org/W2519614793","https://openalex.org/W2168802222","https://openalex.org/W2029468541","https://openalex.org/W775298776","https://openalex.org/W4231873092","https://openalex.org/W4393029482","https://openalex.org/W2155895589","https://openalex.org/W2795557408","https://openalex.org/W3094059600"],"abstract_inverted_index":{"Among":[0],"the":[1,8,40,47,57,73,80,83,122],"various":[2,29,84],"products":[3],"originating":[4],"from":[5,39,136],"fission":[6,21,69,89],"events,":[7],"noble":[9],"gas":[10,25,70,90],"elements":[11],"Xe":[12,149],"and,":[13],"in":[14,27,35,131,139],"a":[15,43,140],"lesser":[16],"extent,":[17],"Kr":[18],"present":[19],"important":[20],"yields.":[22],"The":[23],"accumulated":[24],"inventory":[26],"its":[28],"states":[30],"(e.g.":[31],"atomically":[32],"dissolved,":[33],"precipitated":[34],"cavities":[36],"or":[37],"released":[38],"fuel)":[41],"has":[42,146],"strong":[44],"impact":[45],"on":[46,148],"performance":[48],"of":[49,56,68,82,99],"LWR":[50],"fuel":[51,61],"and":[52,92,112,152],"is":[53],"presently":[54],"one":[55],"limiting":[58],"factors":[59],"for":[60],"burnup":[62],"extension.":[63],"A":[64],"more":[65],"fundamental":[66],"understanding":[67],"behaviour":[71],"at":[72,151],"atomic":[74],"scale":[75],"would":[76],"enable":[77],"to":[78,88,93,121,154],"improve":[79],"modelling":[81],"mechanisms":[85],"ultimately":[86],"leading":[87],"release":[91],"refine":[94],"conservative":[95],"safety":[96],"margins.":[97],"Lots":[98],"efforts":[100],"have":[101],"already":[102],"been":[103],"undertaken":[104],"using":[105],"atomistic":[106],"computer":[107],"simulations,":[108],"ab":[109],"initio":[110],"calculations":[111],"Empirical":[113],"Potential":[114],"Molecular":[115],"Dynamics":[116],"(EP-MD)":[117],"techniques,":[118],"that":[119],"relate":[120],"bulk":[123],"behaviour.":[124],"This":[125,144],"article":[126],"will":[127],"discuss":[128],"EP-MD":[129],"investigations":[130],"nanosized":[132],"polycrystalline":[133],"UO2,":[134],"constructed":[135],"Voronoi":[137],"cells":[138],"3-D":[141],"periodic":[142],"environment.":[143],"study":[145],"focused":[147],"diffusion":[150],"close":[153],"grain":[155],"boundaries.":[156]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}
