{"id":"https://openalex.org/W2546558347","doi":"https://doi.org/10.1515/htmp-2015-0137","title":"Investigation of Oxygen Diffusion in Irradiated UO2 with MD Simulation","display_name":"Investigation of Oxygen Diffusion in Irradiated UO2 with MD Simulation","publication_year":2016,"publication_date":"2016-02-01","ids":{"openalex":"https://openalex.org/W2546558347","doi":"https://doi.org/10.1515/htmp-2015-0137","mag":"2546558347"},"language":"en","primary_location":{"id":"doi:10.1515/htmp-2015-0137","doi":"https://doi.org/10.1515/htmp-2015-0137","is_oa":true,"landing_page_url":"https://doi.org/10.1515/htmp-2015-0137","pdf_url":null,"source":{"id":"https://openalex.org/S12653085","display_name":"High Temperature Materials and Processes","issn_l":"0334-6455","issn":["0334-6455","2191-0324"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","norway-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310315730","host_organization_name":"Begell House","host_organization_lineage":["https://openalex.org/P4310315730"],"host_organization_lineage_names":["Begell House"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"High Temperature Materials and Processes","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1515/htmp-2015-0137","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5040191450","display_name":"Se\u00e7kin D. G\u00fcnay","orcid":"https://orcid.org/0000-0003-0507-0166","observed_orcids":["https://orcid.org/0000-0003-0507-0166"]},"institutions":[{"id":"https://openalex.org/I4101805","display_name":"Y\u0131ld\u0131z Technical University","ror":"https://ror.org/0547yzj13","country_code":"TR","type":"education","lineage":["https://openalex.org/I4101805"]}],"countries":["TR"],"is_corresponding":true,"raw_author_name":"Se\u00e7kin D. G\u00fcnay","raw_affiliation_strings":["1Department of Physics, Faculty of Science, Y\u0131ld\u0131z Technical University, Esenler, 34210 Istanbul, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1Department of Physics, Faculty of Science, Y\u0131ld\u0131z Technical University, Esenler, 34210 Istanbul, Turkey","institution_ids":["https://openalex.org/I4101805"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5040191450"],"corresponding_institution_ids":["https://openalex.org/I4101805"],"apc_list":{"value":1050,"currency":"EUR","value_usd":1187},"apc_paid":{"value":1050,"currency":"EUR","value_usd":1187},"fwci":0.0,"has_fulltext":true,"cited_by_count":5,"citation_normalized_percentile":{"value":0.09221896,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"35","issue":"10","first_page":"981","last_page":"987"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11242","display_name":"Nuclear Materials and Properties","score":0.9980000257492065,"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":0.9980000257492065,"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":0.0017999999690800905,"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/T12506","display_name":"Nuclear materials and radiation effects","score":0.00019999999494757503,"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/oxygen-diffusion","display_name":"oxygen diffusion","score":0.7699999809265137},{"id":"https://openalex.org/keywords/uranium-dioxide","display_name":"uranium dioxide","score":0.7490000128746033},{"id":"https://openalex.org/keywords/radiation-damage","display_name":"radiation damage","score":0.7480000257492065},{"id":"https://openalex.org/keywords/frenkel-defects","display_name":"Frenkel defects","score":0.7900000214576721},{"id":"https://openalex.org/keywords/schottky-defects","display_name":"Schottky defects","score":0.996999979019165},{"id":"https://openalex.org/keywords/vacancy-defects","display_name":"vacancy defects","score":0.5450000166893005},{"id":"https://openalex.org/keywords/interstitials","display_name":"interstitials","score":0.9909999966621399},{"id":"https://openalex.org/keywords/irradiation-induced-swelling","display_name":"irradiation swelling","score":0.7110000252723694},{"id":"https://openalex.org/keywords/alpha-particle-irradiation","display_name":"alpha particle irradiation","score":0.6029999852180481},{"id":"https://openalex.org/keywords/neutron-irradiation","display_name":"neutron irradiation","score":0.996999979019165},{"id":"https://openalex.org/keywords/diffusion-coefficient","display_name":"diffusion coefficient","score":0.40400001406669617}],"concepts":[{"id":"https://openalex.org/C111337013","wikidata":"https://www.wikidata.org/wiki/Q2737837","display_name":"Irradiation","level":2,"score":0.8386962413787842},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.7622960805892944},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.7518375515937805},{"id":"https://openalex.org/C164675345","wikidata":"https://www.wikidata.org/wiki/Q898226","display_name":"Crystallographic defect","level":2,"score":0.7264528870582581},{"id":"https://openalex.org/C540031477","wikidata":"https://www.wikidata.org/wiki/Q629","display_name":"Oxygen","level":2,"score":0.696631908416748},{"id":"https://openalex.org/C117915434","wikidata":"https://www.wikidata.org/wiki/Q542144","display_name":"Frenkel defect","level":3,"score":0.696153998374939},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.5792214274406433},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.48554179072380066},{"id":"https://openalex.org/C114221277","wikidata":"https://www.wikidata.org/wiki/Q899743","display_name":"Vacancy defect","level":2,"score":0.4852025806903839},{"id":"https://openalex.org/C20563779","wikidata":"https://www.wikidata.org/wiki/Q6497109","display_name":"Lattice diffusion coefficient","level":4,"score":0.4489881992340088},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.43417662382125854},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.38160592317581177},{"id":"https://openalex.org/C70816921","wikidata":"https://www.wikidata.org/wiki/Q258852","display_name":"Effective diffusion coefficient","level":3,"score":0.36530986428260803},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.24676281213760376},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.20968422293663025},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1526269018650055},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.1445048749446869},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.06935018301010132},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.061583101749420166},{"id":"https://openalex.org/C126838900","wikidata":"https://www.wikidata.org/wiki/Q77604","display_name":"Radiology","level":1,"score":0.0},{"id":"https://openalex.org/C143409427","wikidata":"https://www.wikidata.org/wiki/Q161238","display_name":"Magnetic resonance imaging","level":2,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1515/htmp-2015-0137","doi":"https://doi.org/10.1515/htmp-2015-0137","is_oa":true,"landing_page_url":"https://doi.org/10.1515/htmp-2015-0137","pdf_url":null,"source":{"id":"https://openalex.org/S12653085","display_name":"High Temperature Materials and Processes","issn_l":"0334-6455","issn":["0334-6455","2191-0324"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","norway-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310315730","host_organization_name":"Begell House","host_organization_lineage":["https://openalex.org/P4310315730"],"host_organization_lineage_names":["Begell House"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"High Temperature Materials and Processes","raw_type":"journal-article"},{"id":"pmh:2767237b-98c1-4a9e-87b5-976e1038cd0b","doi":null,"is_oa":true,"landing_page_url":"https://avesis.yildiz.edu.tr/publication/details/2767237b-98c1-4a9e-87b5-976e1038cd0b/oai","pdf_url":"https://avesis.yildiz.edu.tr/publication/details/2767237b-98c1-4a9e-87b5-976e1038cd0b/oai/document.pdf","source":{"id":"https://openalex.org/S7407055331","display_name":"Yildiz Technical University - AVESIS","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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1515/htmp-2015-0137","doi":"https://doi.org/10.1515/htmp-2015-0137","is_oa":true,"landing_page_url":"https://doi.org/10.1515/htmp-2015-0137","pdf_url":null,"source":{"id":"https://openalex.org/S12653085","display_name":"High Temperature Materials and Processes","issn_l":"0334-6455","issn":["0334-6455","2191-0324"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","norway-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310315730","host_organization_name":"Begell House","host_organization_lineage":["https://openalex.org/P4310315730"],"host_organization_lineage_names":["Begell House"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"High Temperature Materials and Processes","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2546558347.pdf","grobid_xml":"https://content.openalex.org/works/W2546558347.grobid-xml"},"referenced_works_count":23,"referenced_works":["https://openalex.org/W1785288184","https://openalex.org/W1978985811","https://openalex.org/W1981476758","https://openalex.org/W1982178146","https://openalex.org/W1989009682","https://openalex.org/W1995435843","https://openalex.org/W2008219174","https://openalex.org/W2013812605","https://openalex.org/W2018447179","https://openalex.org/W2023997717","https://openalex.org/W2030063301","https://openalex.org/W2044735394","https://openalex.org/W2057054012","https://openalex.org/W2057502998","https://openalex.org/W2058400495","https://openalex.org/W2065739787","https://openalex.org/W2078070632","https://openalex.org/W2079977147","https://openalex.org/W2082438193","https://openalex.org/W2086954874","https://openalex.org/W2115864365","https://openalex.org/W2134334217","https://openalex.org/W2165582075"],"related_works":["https://openalex.org/W2134334217","https://openalex.org/W2404520757","https://openalex.org/W3164506104","https://openalex.org/W2023997717","https://openalex.org/W1972538478","https://openalex.org/W2033886377","https://openalex.org/W2035423044","https://openalex.org/W5083531","https://openalex.org/W196756142","https://openalex.org/W2086954874"],"abstract_inverted_index":{"Abstract":[0],"In":[1,161],"this":[2,20],"study,":[3],"irradiated":[4,103,139,147],"UO2":[5,104],"is":[6,42,49,84,107,117,142],"analyzed":[7],"by":[8],"atomistic":[9],"simulation":[10],"method":[11],"to":[12,51,72,95,174],"obtain":[13],"diffusion":[14,56,76,136,156],"coefficient":[15],"of":[16,24,46,120],"oxygen":[17,55,75,125,135,155,176],"ions.":[18],"For":[19],"purpose,":[21],"a":[22],"couple":[23],"molecular":[25],"dynamics":[26],"(MD)":[27],"supercells":[28],"containing":[29],"Frenkel,":[30],"Schottky,":[31],"vacancy":[32],"and":[33,39,60,102],"interstitial":[34],"types":[35],"for":[36,57],"both":[37,58],"anion":[38],"cation":[40],"defects":[41,68,111,121,152,169],"constructed":[43],"individually.":[44],"Each":[45],"their":[47],"contribution":[48,173],"used":[50],"calculate":[52],"the":[53,70,73,123,131,145,154],"total":[54],"intrinsic":[59],"extrinsic":[61],"ranges.":[62],"The":[63],"results":[64],"display":[65],"that":[66],"irradiation-induced":[67,99,124],"contribute":[69],"most":[71],"overall":[74,175],"at":[77],"temperatures":[78],"below":[79],"800\u20131,200":[80],"K.":[81,160],"This":[82],"result":[83],"quite":[85],"sensible":[86],"because":[87,110],"experimental":[88],"data":[89,157],"shows":[90],"that,":[91,118],"from":[92],"room":[93],"temperature":[94,164],"about":[96],"1,500":[97],"K,":[98],"swelling":[100],"decreases":[101],"lattice":[105],"parameter":[106],"gradually":[108],"recovered":[109],"annihilate":[112],"each":[113],"other.":[114],"Another":[115],"point":[116],"concentration":[119],"enhances":[122],"diffusion.":[126,177],"Irradiation":[127],"type":[128],"also":[129],"has":[130],"similar":[132],"effect,":[133],"namely":[134],"in":[137],"crystals":[138,146],"with":[140,148],"\u03b1-particles":[141],"more":[143],"than":[144],"neutrons.":[149],"Dynamic":[150],"Frenkel":[151,168],"dominate":[153],"above":[158],"1,500\u20141,800":[159],"all":[162],"these":[163],"ranges,":[165],"thermally":[166],"induced":[167],"make":[170],"no":[171],"significant":[172]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-11-11T00:00:00"}