{"id":"https://openalex.org/W2139504098","doi":"https://doi.org/10.1080/08927029608024061","title":"Dynamics of Small Molecules in a Dense Polymer Matrix: Molecular Dynamics Studies","display_name":"Dynamics of Small Molecules in a Dense Polymer Matrix: Molecular Dynamics Studies","publication_year":1996,"publication_date":"1996-01-01","ids":{"openalex":"https://openalex.org/W2139504098","doi":"https://doi.org/10.1080/08927029608024061","mag":"2139504098"},"language":"en","primary_location":{"id":"doi:10.1080/08927029608024061","doi":"https://doi.org/10.1080/08927029608024061","is_oa":false,"landing_page_url":"https://doi.org/10.1080/08927029608024061","pdf_url":null,"source":{"id":"https://openalex.org/S45504773","display_name":"Molecular Simulation","issn_l":"0892-7022","issn":["0892-7022","1026-7638","1029-0435"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Simulation","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/A5032068475","display_name":"Hisao Takeuchi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I168192097","display_name":"Mitsubishi Chemical (Japan)","ror":"https://ror.org/05d8avs16","country_code":"JP","type":"company","lineage":["https://openalex.org/I168192097"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Hisao Takeuchi","raw_affiliation_strings":["Yokohama Research Center, Mitsubishi Chemical Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama, 227, JAPAN"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Yokohama Research Center, Mitsubishi Chemical Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama, 227, JAPAN","institution_ids":["https://openalex.org/I168192097"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5081960013","display_name":"Keiji Okazaki","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I168192097","display_name":"Mitsubishi Chemical (Japan)","ror":"https://ror.org/05d8avs16","country_code":"JP","type":"company","lineage":["https://openalex.org/I168192097"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Keiji Okazaki","raw_affiliation_strings":["Yokohama Research Center, Mitsubishi Chemical Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama, 227, JAPAN"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Yokohama Research Center, Mitsubishi Chemical Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama, 227, JAPAN","institution_ids":["https://openalex.org/I168192097"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I168192097"],"apc_list":null,"apc_paid":null,"fwci":2.2529,"has_fulltext":false,"cited_by_count":26,"citation_normalized_percentile":{"value":0.88328912,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"16","issue":"1-3","first_page":"59","last_page":"74"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10474","display_name":"Material Dynamics and Properties","score":0.9653000235557556,"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/T10474","display_name":"Material Dynamics and Properties","score":0.9653000235557556,"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/T10288","display_name":"Fractional Differential Equations Solutions","score":0.010400000028312206,"subfield":{"id":"https://openalex.org/subfields/2611","display_name":"Modeling and Simulation"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.004100000020116568,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/anomalous-diffusion","display_name":"anomalous diffusion","score":0.9679999947547913},{"id":"https://openalex.org/keywords/self-diffusion","display_name":"self-diffusion","score":0.9160000085830688},{"id":"https://openalex.org/keywords/amorphous-polymers","display_name":"amorphous polymers","score":0.8619999885559082},{"id":"https://openalex.org/keywords/polymer-matrix","display_name":"polymer matrix","score":0.5080000162124634},{"id":"https://openalex.org/keywords/oxygen-diffusion","display_name":"oxygen diffusion","score":0.6990000009536743},{"id":"https://openalex.org/keywords/helium-diffusion","display_name":"helium diffusion","score":0.9980000257492065},{"id":"https://openalex.org/keywords/mean-square-displacement","display_name":"mean square displacement","score":0.9480000138282776},{"id":"https://openalex.org/keywords/einstein-relation","display_name":"Einstein relation","score":0.8500000238418579},{"id":"https://openalex.org/keywords/cage-size","display_name":"cage size","score":0.6890000104904175},{"id":"https://openalex.org/keywords/polymer-microstructure","display_name":"polymer microstructure","score":0.8159999847412109}],"concepts":[{"id":"https://openalex.org/C187128312","wikidata":"https://www.wikidata.org/wiki/Q1565055","display_name":"Mean squared displacement","level":3,"score":0.6435767412185669},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.6278901696205139},{"id":"https://openalex.org/C164602753","wikidata":"https://www.wikidata.org/wiki/Q567544","display_name":"Anomalous diffusion","level":3,"score":0.5970935821533203},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.5615318417549133},{"id":"https://openalex.org/C192239200","wikidata":"https://www.wikidata.org/wiki/Q7448071","display_name":"Self-diffusion","level":3,"score":0.5325571298599243},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5303438901901245},{"id":"https://openalex.org/C2780790625","wikidata":"https://www.wikidata.org/wiki/Q900855","display_name":"Einstein relation","level":3,"score":0.5266143083572388},{"id":"https://openalex.org/C56052488","wikidata":"https://www.wikidata.org/wiki/Q103382","display_name":"Amorphous solid","level":2,"score":0.4924968183040619},{"id":"https://openalex.org/C546029482","wikidata":"https://www.wikidata.org/wiki/Q560","display_name":"Helium","level":2,"score":0.4806869924068451},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.45464643836021423},{"id":"https://openalex.org/C5297727","wikidata":"https://www.wikidata.org/wiki/Q786970","display_name":"Autocorrelation","level":2,"score":0.4372822940349579},{"id":"https://openalex.org/C53622274","wikidata":"https://www.wikidata.org/wiki/Q2496679","display_name":"Correlation function (quantum field theory)","level":3,"score":0.4203539490699768},{"id":"https://openalex.org/C57736034","wikidata":"https://www.wikidata.org/wiki/Q17104113","display_name":"Molecular diffusion","level":3,"score":0.4185924530029297},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4064335227012634},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.39290356636047363},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.38072478771209717},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.31136080622673035},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.268452912569046},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.18156003952026367},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.15790608525276184},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.12621325254440308},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.09135636687278748},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C133386390","wikidata":"https://www.wikidata.org/wiki/Q184996","display_name":"Dielectric","level":2,"score":0.0},{"id":"https://openalex.org/C176217482","wikidata":"https://www.wikidata.org/wiki/Q860554","display_name":"Metric (unit)","level":2,"score":0.0},{"id":"https://openalex.org/C2775906791","wikidata":"https://www.wikidata.org/wiki/Q1369310","display_name":"Self-service","level":2,"score":0.0},{"id":"https://openalex.org/C56739046","wikidata":"https://www.wikidata.org/wiki/Q192060","display_name":"Knowledge management","level":1,"score":0.0},{"id":"https://openalex.org/C144133560","wikidata":"https://www.wikidata.org/wiki/Q4830453","display_name":"Business","level":0,"score":0.0},{"id":"https://openalex.org/C3017618536","wikidata":"https://www.wikidata.org/wiki/Q304994","display_name":"Innovation diffusion","level":2,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0},{"id":"https://openalex.org/C162853370","wikidata":"https://www.wikidata.org/wiki/Q39809","display_name":"Marketing","level":1,"score":0.0},{"id":"https://openalex.org/C21547014","wikidata":"https://www.wikidata.org/wiki/Q1423657","display_name":"Operations management","level":1,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1080/08927029608024061","doi":"https://doi.org/10.1080/08927029608024061","is_oa":false,"landing_page_url":"https://doi.org/10.1080/08927029608024061","pdf_url":null,"source":{"id":"https://openalex.org/S45504773","display_name":"Molecular Simulation","issn_l":"0892-7022","issn":["0892-7022","1026-7638","1029-0435"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Simulation","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":37,"referenced_works":["https://openalex.org/W1509129333","https://openalex.org/W1527277989","https://openalex.org/W1671860850","https://openalex.org/W1965438743","https://openalex.org/W1967451421","https://openalex.org/W1973517344","https://openalex.org/W1974263035","https://openalex.org/W1976377104","https://openalex.org/W1977351823","https://openalex.org/W1985802487","https://openalex.org/W1990037362","https://openalex.org/W2007553441","https://openalex.org/W2010793745","https://openalex.org/W2012260221","https://openalex.org/W2022114287","https://openalex.org/W2026764906","https://openalex.org/W2031341472","https://openalex.org/W2039104451","https://openalex.org/W2041902442","https://openalex.org/W2047529578","https://openalex.org/W2053055347","https://openalex.org/W2054688834","https://openalex.org/W2054741222","https://openalex.org/W2055450143","https://openalex.org/W2056293512","https://openalex.org/W2063303494","https://openalex.org/W2066838827","https://openalex.org/W2067842623","https://openalex.org/W2069480183","https://openalex.org/W2076732651","https://openalex.org/W2113247147","https://openalex.org/W2153163709","https://openalex.org/W2156851029","https://openalex.org/W2256148939","https://openalex.org/W2332243733","https://openalex.org/W4234347480","https://openalex.org/W4251490948"],"related_works":["https://openalex.org/W2113247147","https://openalex.org/W2094310680","https://openalex.org/W2066838827","https://openalex.org/W2069452249","https://openalex.org/W2089051910","https://openalex.org/W2389096050","https://openalex.org/W4241816919","https://openalex.org/W2010033667","https://openalex.org/W2034373322","https://openalex.org/W7039816618"],"abstract_inverted_index":{"The":[0,187],"anomalous":[1,81,128,220],"diffusion":[2,82,129,221],"regime":[3,83,100,222],"appearing":[4],"in":[5,11,85,102],"the":[6,58,61,68,72,80,94,103,107,127,135,139,148,158,161,171,174,178,182,191,195,212,219,225,229],"self-diffusion":[7,104,213],"of":[8,27,71,106,109,160,173,190,194,228],"small":[9],"molecules":[10,44],"bulk":[12],"amorphous":[13],"polymers":[14],"has":[15],"been":[16],"extensively":[17],"studied":[18],"by":[19,170,202],"molecular":[20],"dynamics":[21],"simulations.":[22],"A":[23],"rather":[24],"long":[25],"simulation":[26],"duration":[28],"\u223c":[29,110],"10":[30],"\u22128":[31],"s":[32],"is":[33,76,115,132,152,209,216],"performed":[34],"on":[35],"a":[36,49,86],"polyethylene-like":[37],"simple":[38],"polymer":[39,175,230],"model":[40],"containing":[41],"either":[42],"oxygen":[43,91],"or":[45],"helium":[46,119],"atoms":[47],"as":[48,150,207],"diffusant.":[50],"Dynamic":[51],"properties":[52],"evaluated":[53],"for":[54,90,118,138],"these":[55,203],"diffusants":[56,141,197],"are":[57,167],"mean-square":[59,192],"displacement,":[60],"van":[62],"Hove":[63],"self":[64,69],"correlation":[65,136],"function,":[66],"and":[67,145,181],"part":[70],"density":[73],"autocorrelation.":[74],"It":[75,215],"first":[77],"confirmed":[78],"that":[79,120,134,218],"appears":[84],"few":[87],"hundred":[88],"picoseconds":[89],"molecule,":[92],"while":[93],"Einstein":[95],"relation":[96],"adopted":[97],"beyond":[98],"this":[99],"results":[101],"coefficient":[105],"order":[108],"10\u22125":[111],"cm2/s.":[112],"This":[113],"anomaly":[114],"still":[116],"observed":[117],"diffuses":[121],"much":[122],"faster":[123],"than":[124],"oxygen.":[125],"In":[126],"regime,":[130],"it":[131],"found":[133],"functions":[137],"two":[140,162,196],"show":[142],"characteristic":[143,163,204],"features":[144,156],"become":[146],"essentially":[147],"same":[149],"time":[151,188,208],"scaled":[153,210],"appropriately.":[154],"These":[155],"allow":[157],"estimation":[159],"spatial":[164,205],"scales":[165,206],"which":[166],"probably":[168],"dominated":[169],"microstructure":[172,227],"matrix,":[176],"namely,":[177],"cage":[179],"size":[180],"distance":[183],"between":[184],"adjacent":[185],"cages.":[186],"dependence":[189],"displacements":[193],"can":[198],"be":[199],"well":[200],"interpreted":[201],"with":[211],"coefficients.":[214],"shown":[217],"arises":[223],"from":[224],"inhomogeneous":[226],"matrix.":[231]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}