{"id":"https://openalex.org/W64558761","doi":null,"title":"Polymer failure modeled by Molecular Dynamics","display_name":"Polymer failure modeled by Molecular Dynamics","publication_year":2014,"publication_date":"2014-01-01","ids":{"openalex":"https://openalex.org/W64558761","mag":"64558761"},"language":"en","primary_location":{"id":"pmh:oai:brage.bibsys.no:11250/249557","doi":null,"is_oa":false,"landing_page_url":"http://hdl.handle.net/11250/249557","pdf_url":null,"source":{"id":"https://openalex.org/S4306400255","display_name":"BIBSYS Brage (BIBSYS (Norway))","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I173212132","host_organization_name":"Vilnius University","host_organization_lineage":["https://openalex.org/I173212132"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"141","raw_type":"Master thesis"},"volume":null,"type":"dissertation","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://hdl.handle.net/11250/249557","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5072994149","display_name":"Kristian Berg Keilen","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Kristian Berg Keilen","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5072994149"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.7919999957084656,"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"}},"topics":[{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.7919999957084656,"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"}},{"id":"https://openalex.org/T10389","display_name":"Polymer crystallization and properties","score":0.12309999763965607,"subfield":{"id":"https://openalex.org/subfields/2507","display_name":"Polymers and Plastics"},"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/T10204","display_name":"Microstructure and mechanical properties","score":0.012000000104308128,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/polymer-failure","display_name":"polymer failure","score":0.9190000295639038},{"id":"https://openalex.org/keywords/bond-breaking","display_name":"bond cleavage","score":0.8830000162124634},{"id":"https://openalex.org/keywords/polyethylene","display_name":"polyethylene","score":0.9440000057220459},{"id":"https://openalex.org/keywords/finite-strain","display_name":"finite strain","score":0.8289999961853027},{"id":"https://openalex.org/keywords/morse-potential","display_name":"Morse potential","score":0.9120000004768372},{"id":"https://openalex.org/keywords/united-atom-model","display_name":"united atom model","score":0.9399999976158142},{"id":"https://openalex.org/keywords/lammps","display_name":"LAMMPS","score":0.8230000138282776},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.7289999723434448}],"concepts":[{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.4729682505130768},{"id":"https://openalex.org/C99874945","wikidata":"https://www.wikidata.org/wiki/Q188715","display_name":"Statistical mechanics","level":2,"score":0.45919740200042725},{"id":"https://openalex.org/C124600460","wikidata":"https://www.wikidata.org/wiki/Q842809","display_name":"Bond order","level":4,"score":0.4373595118522644},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.37631264328956604},{"id":"https://openalex.org/C155860418","wikidata":"https://www.wikidata.org/wiki/Q863695","display_name":"Bond length","level":3,"score":0.3632001280784607},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3502303957939148},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.34831535816192627},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.23064938187599182},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.22945228219032288}],"mesh":[],"locations_count":3,"locations":[{"id":"pmh:oai:brage.bibsys.no:11250/249557","doi":null,"is_oa":false,"landing_page_url":"http://hdl.handle.net/11250/249557","pdf_url":null,"source":{"id":"https://openalex.org/S4306400255","display_name":"BIBSYS Brage (BIBSYS (Norway))","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I173212132","host_organization_name":"Vilnius University","host_organization_lineage":["https://openalex.org/I173212132"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"141","raw_type":"Master thesis"},{"id":"pmh:oai:ntnuopen.ntnu.no:11250/249557","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/11250/249557","pdf_url":null,"source":{"id":"https://openalex.org/S7407064446","display_name":"NORA - Norwegian Open Research Archives","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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"141","raw_type":"info:eu-repo/semantics/masterThesis"},{"id":"mag:64558761","doi":null,"is_oa":false,"landing_page_url":"https://brage.bibsys.no/xmlui/handle/11250/249557","pdf_url":null,"source":{"id":"https://openalex.org/S4363607021","display_name":"141","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":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"141","raw_type":null}],"best_oa_location":{"id":"pmh:oai:ntnuopen.ntnu.no:11250/249557","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/11250/249557","pdf_url":null,"source":{"id":"https://openalex.org/S7407064446","display_name":"NORA - Norwegian Open Research Archives","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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"141","raw_type":"info:eu-repo/semantics/masterThesis"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":39,"referenced_works":["https://openalex.org/W150175414","https://openalex.org/W1484215465","https://openalex.org/W1521042556","https://openalex.org/W1529401294","https://openalex.org/W1703910647","https://openalex.org/W1965403619","https://openalex.org/W1966078827","https://openalex.org/W1979239187","https://openalex.org/W1981853521","https://openalex.org/W1994782028","https://openalex.org/W2003301106","https://openalex.org/W2005886497","https://openalex.org/W2013979082","https://openalex.org/W2017835622","https://openalex.org/W2020487350","https://openalex.org/W2022202756","https://openalex.org/W2028046413","https://openalex.org/W2033658921","https://openalex.org/W2038026680","https://openalex.org/W2040643460","https://openalex.org/W2055762937","https://openalex.org/W2058151041","https://openalex.org/W2069651853","https://openalex.org/W2070529599","https://openalex.org/W2077237797","https://openalex.org/W2077703436","https://openalex.org/W2083504163","https://openalex.org/W2085758571","https://openalex.org/W2086875810","https://openalex.org/W2088571920","https://openalex.org/W2091654157","https://openalex.org/W2091779546","https://openalex.org/W2110723170","https://openalex.org/W2113032678","https://openalex.org/W2141850471","https://openalex.org/W2147421370","https://openalex.org/W2150981663","https://openalex.org/W2157247774","https://openalex.org/W4249212414"],"related_works":["https://openalex.org/W2245398154","https://openalex.org/W3182820905","https://openalex.org/W2085758571","https://openalex.org/W7222944651","https://openalex.org/W2767092264","https://openalex.org/W1964534950","https://openalex.org/W2579864302","https://openalex.org/W2256811860","https://openalex.org/W6940674466","https://openalex.org/W7128530988"],"abstract_inverted_index":{"This":[0,21],"thesis":[1,22,96,118],"is":[2,36,69,87,144,151,201,250],"written":[3,224],"as":[4,126],"a":[5,37,75,101,127,152,202,207,225,245,257],"mandatory":[6],"part":[7],"of":[8,29,39,52,82,108,129,209,237,261],"the":[9,27,142,167,199,229,262],"master":[10],"degree":[11],"program":[12],"Materials":[13],"Science":[14],"and":[15,32,58,84,93,217,234],"Engineering":[16,30],"at":[17,100],"NTNU,":[18],"spring":[19],"2014.":[20],"has":[23],"been":[24],"done":[25],"for":[26,132],"Departement":[28],"Design":[31],"Materials.Molecular":[33],"dynamics":[34],"(MD)":[35],"field":[38,263],"science":[40,203],"that":[41,141,147,161,178,181,189,204,247],"studies":[42],"interactions":[43],"between":[44],"atoms.":[45],"MD":[46,254],"operates":[47],"on":[48,74],"very":[49],"small":[50,66],"order":[51],"magnitudes,":[53],"in":[54,59,94,112,116,195,232,235,242],"space":[55],"with":[56,61,64,158,185,253],"Angstroms":[57],"time":[60],"nanoseconds.":[62],"Even":[63],"these":[65],"scales":[67],"it":[68],"possible":[70],"to":[71,79,90,121,173,228,264],"reproduce":[72],"events":[73],"macroscopic":[76],"level,":[77],"due":[78],"some":[80,266],"results":[81],"thermodynamics":[83],"statistical":[85,215],"dynamics.MD":[86],"often":[88],"used":[89,194],"model":[91,146,157,191],"molecules,":[92],"this":[95,117,190,220],"we":[97,119,139,148],"will":[98,149],"look":[99],"distinct":[102],"phenomenon:":[103],"Bond":[104],"scission.":[105],"The":[106],"breaking":[107,125,176],"bonds":[109,160],"can":[110,138,192,255],"happen":[111],"many":[113],"cases,":[114],"but":[115],"wish":[120],"study":[122],"irreversible":[123],"bond":[124,136,143,163,175],"result":[128],"large":[130],"strains":[131,180],"polyethylene.":[133],"At":[134],"what":[135],"length":[137],"say":[140],"broken?The":[145],"use":[150],"united":[153],"atom":[154],"(UA)":[155],"polyethylene":[156],"covalent":[159],"have":[162,223],"energy":[164],"given":[165],"by":[166],"Morse":[168],"potential.":[169],"We":[170],"shall":[171],"attempt":[172],"find":[174],"lengths":[177],"give":[179],"may":[182],"be":[183,193],"comparable":[184],"experimental":[186],"results,":[187],"so":[188],"further":[196],"research":[197],"down":[198],"line.MD":[200],"builds":[205],"upon":[206],"lot":[208],"other":[210],"sciences,":[211],"like":[212,240],"quantum":[213],"mechanics,":[214],"mechanics":[216],"thermodynamics.":[218],"In":[219],"thesis,":[221],"I":[222],"comprehensive":[226],"introduction":[227],"field,":[230],"both":[231],"theory":[233],"application":[236],"computer":[238],"programs":[239],"LAMMPS,":[241],"hopefully":[243],"such":[244],"way":[246],"one":[248],"who":[249],"not":[251],"familiar":[252],"get":[256],"good":[258],"enough":[259],"understanding":[260],"do":[265],"simulations":[267],"themselves.":[268]},"counts_by_year":[{"year":2017,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}
