{"id":"https://openalex.org/W7225149557","doi":"https://doi.org/10.1021/acs.macromol.6c01614","title":"Hierarchical Coupling Mechanisms of Semicrystalline Polyethylene under Nanoindentation: A Multiscale Simulation Study","display_name":"Hierarchical Coupling Mechanisms of Semicrystalline Polyethylene under Nanoindentation: A Multiscale Simulation Study","publication_year":2026,"publication_date":"2026-11-03","ids":{"openalex":"https://openalex.org/W7225149557","doi":"https://doi.org/10.1021/acs.macromol.6c01614"},"language":"en","primary_location":{"id":"doi:10.1021/acs.macromol.6c01614","doi":"https://doi.org/10.1021/acs.macromol.6c01614","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.macromol.6c01614","pdf_url":null,"source":{"id":"https://openalex.org/S177196338","display_name":"Macromolecules","issn_l":"0024-9297","issn":["0024-9297","1520-5835"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-1","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Macromolecules","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/A5019239502","display_name":"Maoyan Jie","orcid":"https://orcid.org/0009-0008-6798-9059","observed_orcids":["https://orcid.org/0009-0008-6798-9059"]},"institutions":[{"id":"https://openalex.org/I4800084","display_name":"Southwest Jiaotong University","ror":"https://ror.org/00hn7w693","country_code":"CN","type":"education","lineage":["https://openalex.org/I4800084"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Maoyan Jie","raw_affiliation_strings":["Southwest Jiaotong University , , ,"],"raw_orcid":"https://orcid.org/0009-0008-6798-9059","affiliations":[{"raw_affiliation_string":"Southwest Jiaotong University , , ,","institution_ids":["https://openalex.org/I4800084"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100432445","display_name":"Xiaogang Zhang","orcid":"https://orcid.org/0000-0003-4608-5401","observed_orcids":["https://orcid.org/0000-0003-4608-5401"]},"institutions":[{"id":"https://openalex.org/I4800084","display_name":"Southwest Jiaotong University","ror":"https://ror.org/00hn7w693","country_code":"CN","type":"education","lineage":["https://openalex.org/I4800084"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xiaogang Zhang","raw_affiliation_strings":["Southwest Jiaotong University , , ,"],"raw_orcid":"https://orcid.org/0000-0003-4608-5401","affiliations":[{"raw_affiliation_string":"Southwest Jiaotong University , , ,","institution_ids":["https://openalex.org/I4800084"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004263879","display_name":"Zhangyue Qin","orcid":"https://orcid.org/0000-0002-8652-6868","observed_orcids":["https://orcid.org/0000-0002-8652-6868"]},"institutions":[{"id":"https://openalex.org/I4800084","display_name":"Southwest Jiaotong University","ror":"https://ror.org/00hn7w693","country_code":"CN","type":"education","lineage":["https://openalex.org/I4800084"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhangyue Qin","raw_affiliation_strings":["Southwest Jiaotong University , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Southwest Jiaotong University , , ,","institution_ids":["https://openalex.org/I4800084"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100405866","display_name":"Yali Zhang","orcid":"https://orcid.org/0000-0002-7773-0752","observed_orcids":["https://orcid.org/0000-0002-7773-0752"]},"institutions":[{"id":"https://openalex.org/I4800084","display_name":"Southwest Jiaotong University","ror":"https://ror.org/00hn7w693","country_code":"CN","type":"education","lineage":["https://openalex.org/I4800084"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yali Zhang","raw_affiliation_strings":["Southwest Jiaotong University , , ,"],"raw_orcid":"https://orcid.org/0000-0002-7773-0752","affiliations":[{"raw_affiliation_string":"Southwest Jiaotong University , , ,","institution_ids":["https://openalex.org/I4800084"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5128930093","display_name":"Zhongmin Jin","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I130828816","display_name":"University of Leeds","ror":"https://ror.org/024mrxd33","country_code":"GB","type":"education","lineage":["https://openalex.org/I130828816"]},{"id":"https://openalex.org/I4800084","display_name":"Southwest Jiaotong University","ror":"https://ror.org/00hn7w693","country_code":"CN","type":"education","lineage":["https://openalex.org/I4800084"]}],"countries":["CN","GB"],"is_corresponding":false,"raw_author_name":"Zhongmin Jin","raw_affiliation_strings":["Southwest Jiaotong University , , ,","University of Leeds , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Southwest Jiaotong University , , ,","institution_ids":["https://openalex.org/I4800084"]},{"raw_affiliation_string":"University of Leeds , , ,","institution_ids":["https://openalex.org/I130828816"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5100432445"],"corresponding_institution_ids":["https://openalex.org/I4800084"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.71409363,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"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/T10389","display_name":"Polymer crystallization and properties","score":0.9824000000953674,"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"}},"topics":[{"id":"https://openalex.org/T10389","display_name":"Polymer crystallization and properties","score":0.9824000000953674,"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/T10377","display_name":"Metal and Thin Film Mechanics","score":0.0019000000320374966,"subfield":{"id":"https://openalex.org/subfields/2211","display_name":"Mechanics of Materials"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"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":0.0017999999690800905,"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/semicrystalline-polyethylene","display_name":"semicrystalline polyethylene","score":0.9990000128746033},{"id":"https://openalex.org/keywords/nanoindentation","display_name":"nanoindentation","score":1.0},{"id":"https://openalex.org/keywords/multiscale-modeling","display_name":"multiscale modeling","score":0.6380000114440918},{"id":"https://openalex.org/keywords/cross-scale-correlation","display_name":"cross-scale correlation","score":0.640999972820282},{"id":"https://openalex.org/keywords/segmental-mobility","display_name":"segmental mobility","score":0.6579999923706055},{"id":"https://openalex.org/keywords/amorphous-crystalline-interface","display_name":"amorphous-crystalline interface","score":0.8109999895095825},{"id":"https://openalex.org/keywords/stress-redistribution","display_name":"stress redistribution","score":0.7329999804496765},{"id":"https://openalex.org/keywords/entanglement-network","display_name":"entanglement network","score":0.7929999828338623},{"id":"https://openalex.org/keywords/tie-chains","display_name":"tie chains","score":0.7599999904632568},{"id":"https://openalex.org/keywords/interfacial-mechanical-properties","display_name":"interfacial mechanical properties","score":0.7379999756813049}],"concepts":[{"id":"https://openalex.org/C89025888","wikidata":"https://www.wikidata.org/wiki/Q911907","display_name":"Dihedral angle","level":4,"score":0.8740000128746033},{"id":"https://openalex.org/C56052488","wikidata":"https://www.wikidata.org/wiki/Q103382","display_name":"Amorphous solid","level":2,"score":0.6779000163078308},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.6606000065803528},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6528000235557556},{"id":"https://openalex.org/C46275449","wikidata":"https://www.wikidata.org/wiki/Q2458815","display_name":"Crystallinity","level":2,"score":0.6446999907493591},{"id":"https://openalex.org/C2779751980","wikidata":"https://www.wikidata.org/wiki/Q143429","display_name":"Polyethylene","level":2,"score":0.4982999861240387},{"id":"https://openalex.org/C89464430","wikidata":"https://www.wikidata.org/wiki/Q849516","display_name":"Metastability","level":2,"score":0.48500001430511475},{"id":"https://openalex.org/C49326732","wikidata":"https://www.wikidata.org/wiki/Q1549892","display_name":"Nanoindentation","level":2,"score":0.4742000102996826},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.4634000062942505},{"id":"https://openalex.org/C2780902562","wikidata":"https://www.wikidata.org/wiki/Q1154141","display_name":"Indentation","level":2,"score":0.4415000081062317},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4343999922275543},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4146000146865845},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.3970000147819519},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.37959998846054077},{"id":"https://openalex.org/C184050105","wikidata":"https://www.wikidata.org/wiki/Q273163","display_name":"Isotropy","level":2,"score":0.3610000014305115},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.3222000002861023},{"id":"https://openalex.org/C204366326","wikidata":"https://www.wikidata.org/wiki/Q3027650","display_name":"Deformation (meteorology)","level":2,"score":0.31929999589920044},{"id":"https://openalex.org/C84551667","wikidata":"https://www.wikidata.org/wiki/Q155640","display_name":"Potential energy","level":2,"score":0.2962999939918518},{"id":"https://openalex.org/C195839","wikidata":"https://www.wikidata.org/wiki/Q901959","display_name":"Surface energy","level":2,"score":0.28439998626708984},{"id":"https://openalex.org/C149288129","wikidata":"https://www.wikidata.org/wiki/Q185357","display_name":"Phase transition","level":2,"score":0.2806999981403351},{"id":"https://openalex.org/C61048295","wikidata":"https://www.wikidata.org/wiki/Q909022","display_name":"Nucleation","level":2,"score":0.2784000039100647},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.2777999937534332},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.2759999930858612},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2750999927520752},{"id":"https://openalex.org/C193547582","wikidata":"https://www.wikidata.org/wiki/Q911331","display_name":"Molecular geometry","level":3,"score":0.2750000059604645},{"id":"https://openalex.org/C181748761","wikidata":"https://www.wikidata.org/wiki/Q2641430","display_name":"High-density polyethylene","level":3,"score":0.2590000033378601},{"id":"https://openalex.org/C121854251","wikidata":"https://www.wikidata.org/wiki/Q62932","display_name":"Elasticity (physics)","level":2,"score":0.2574999928474426},{"id":"https://openalex.org/C202974441","wikidata":"https://www.wikidata.org/wiki/Q2576844","display_name":"Stress relaxation","level":3,"score":0.25529998540878296},{"id":"https://openalex.org/C42228675","wikidata":"https://www.wikidata.org/wiki/Q376927","display_name":"Triclinic crystal system","level":3,"score":0.25290000438690186},{"id":"https://openalex.org/C203036418","wikidata":"https://www.wikidata.org/wiki/Q284256","display_name":"Crystallization","level":2,"score":0.2524000108242035}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/acs.macromol.6c01614","doi":"https://doi.org/10.1021/acs.macromol.6c01614","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.macromol.6c01614","pdf_url":null,"source":{"id":"https://openalex.org/S177196338","display_name":"Macromolecules","issn_l":"0024-9297","issn":["0024-9297","1520-5835"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-3","ki-jl-1","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Macromolecules","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320322720","display_name":"Southwest Jiaotong University","ror":"https://ror.org/00hn7w693"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":58,"referenced_works":["https://openalex.org/W1978215757","https://openalex.org/W1978270609","https://openalex.org/W1980825420","https://openalex.org/W1981516987","https://openalex.org/W1993224484","https://openalex.org/W2031107710","https://openalex.org/W2047968138","https://openalex.org/W2051166244","https://openalex.org/W2051381895","https://openalex.org/W2060681932","https://openalex.org/W2089107608","https://openalex.org/W2089821159","https://openalex.org/W2094460014","https://openalex.org/W2112288103","https://openalex.org/W2155967978","https://openalex.org/W2159701144","https://openalex.org/W2170711116","https://openalex.org/W2263953815","https://openalex.org/W2328490316","https://openalex.org/W2333584578","https://openalex.org/W2471269892","https://openalex.org/W2601621651","https://openalex.org/W2619436313","https://openalex.org/W2621516673","https://openalex.org/W2913451750","https://openalex.org/W2952810312","https://openalex.org/W2974328595","https://openalex.org/W2974661046","https://openalex.org/W3003257820","https://openalex.org/W3035965352","https://openalex.org/W3044581158","https://openalex.org/W3194285466","https://openalex.org/W3201073812","https://openalex.org/W4283034204","https://openalex.org/W4307290773","https://openalex.org/W4317569222","https://openalex.org/W4362638956","https://openalex.org/W4380358860","https://openalex.org/W4386929513","https://openalex.org/W4389328753","https://openalex.org/W4389330692","https://openalex.org/W4391400244","https://openalex.org/W4392822330","https://openalex.org/W4400313117","https://openalex.org/W4400934559","https://openalex.org/W4405747500","https://openalex.org/W4406866875","https://openalex.org/W4407911239","https://openalex.org/W4408359607","https://openalex.org/W4410860163","https://openalex.org/W4410904933","https://openalex.org/W4411200272","https://openalex.org/W4415985867","https://openalex.org/W7125710436","https://openalex.org/W7135198663","https://openalex.org/W7137876587","https://openalex.org/W7138981501","https://openalex.org/W7160840247"],"related_works":["https://openalex.org/W3199776223","https://openalex.org/W2089107608","https://openalex.org/W3035746593","https://openalex.org/W2611028754","https://openalex.org/W2063091214","https://openalex.org/W7223008813","https://openalex.org/W7011559993","https://openalex.org/W2745276124","https://openalex.org/W2104250408","https://openalex.org/W4399922543"],"abstract_inverted_index":{"Abstract":[0],"This":[1],"study":[2],"employed":[3],"all-atom,":[4],"united-atom,":[5],"and":[6,35,50,76,170,183,199,204],"coarse-grained":[7],"resolution":[8],"models":[9],"to":[10,32,37],"perform":[11],"a":[12,90,115],"cross-scale":[13],"correlation":[14],"analysis":[15],"of":[16,166,172,179,186,208],"the":[17,25,44,67,80,84,93,102,105,112,126,134,140,147,158,161,173,177,180,184,202],"nanoindentation":[18],"process":[19],"in":[20,89,92,104,128],"semicrystalline":[21],"polyethylene,":[22],"systematically":[23],"elucidating":[24],"multilevel":[26],"coupling":[27],"mechanism":[28],"from":[29],"intrachain":[30,45,70,106],"conformation":[31,46],"segmental":[33,85],"organization":[34,86],"further":[36],"phase":[38,135],"structure":[39,136],"under":[40],"indentation":[41],"conditions.":[42],"At":[43],"scale,":[47,87,137],"bond":[48,51],"lengths":[49],"angles":[52,60],"primarily":[53],"accommodated":[54],"recoverable":[55],"elastic":[56],"deformation,":[57],"whereas":[58],"dihedral":[59,107],"experienced":[61],"irreversible":[62],"conformational":[63,71],"transitions":[64],"induced":[65],"by":[66],"indenter.":[68],"Such":[69],"changes":[72],"provided":[73,150],"both":[74],"space":[75],"driving":[77],"force":[78],"for":[79,197],"overall":[81],"rearrangement":[82],"at":[83,133,157],"resulting":[88],"decrease":[91],"interchain":[94,129],"nonbonded":[95],"potential":[96,108,123],"energy":[97],"after":[98],"unloading":[99],"that":[100],"exceeded":[101],"increase":[103],"energy,":[109],"thereby":[110,190],"relaxing":[111],"system":[113],"into":[114],"more":[116],"compact":[117],"metastable":[118],"state":[119],"with":[120],"lower":[121],"total":[122],"energy.":[124],"Finally,":[125],"differences":[127],"mobility":[130],"were":[131,189],"amplified":[132],"manifesting":[138],"as":[139],"crystalline":[141,168],"regions":[142,149,169,182],"bearing":[143],"concentrated":[144],"loads":[145],"while":[146],"amorphous":[148,181],"extensive":[151],"buffering;":[152],"stress":[153],"underwent":[154],"nonuniform":[155],"redistribution":[156],"interface":[159],"between":[160],"two":[162],"phases,":[163],"inducing":[164],"fragmentation":[165],"some":[167],"relaxation":[171],"entanglement":[174],"network,":[175],"yet":[176],"density":[178],"content":[185],"tie":[187],"chains":[188],"increased.":[191],"The":[192],"findings":[193],"provide":[194],"theoretical":[195],"support":[196],"understanding":[198],"rationally":[200],"designing":[201],"surface":[203],"interfacial":[205],"mechanical":[206],"properties":[207],"semi-crystalline":[209],"polymers.":[210]},"counts_by_year":[],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2026-11-04T00:00:00"}