{"id":"https://openalex.org/W7202113239","doi":"https://doi.org/10.5281/zenodo.21462168","title":"Dataset for \"Cellulose Microfibril Interfacial Sliding to Regulate Load Transfer in Plant Primary Cell Walls through Direct or Polymer-Mediated Contact: Insights from Molecular Dynamics\"","display_name":"Dataset for \"Cellulose Microfibril Interfacial Sliding to Regulate Load Transfer in Plant Primary Cell Walls through Direct or Polymer-Mediated Contact: Insights from Molecular Dynamics\"","publication_year":2026,"publication_date":"2026-07-20","ids":{"openalex":"https://openalex.org/W7202113239","doi":"https://doi.org/10.5281/zenodo.21462168"},"language":"en","primary_location":{"id":"doi:10.5281/zenodo.21462168","doi":"https://doi.org/10.5281/zenodo.21462168","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.21462168","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},"volume":null,"type":"dataset","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.5281/zenodo.21462168","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5043141616","display_name":"Lawrence A. Shepard","orcid":"https://orcid.org/0000-0001-5319-0862","observed_orcids":["https://orcid.org/0000-0001-5319-0862"]},"institutions":[{"id":"https://openalex.org/I130769515","display_name":"Pennsylvania State University","ror":"https://ror.org/04p491231","country_code":"US","type":"education","lineage":["https://openalex.org/I130769515"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shepard, Lauren","raw_affiliation_strings":["Pennsylvania State University"],"raw_orcid":"https://orcid.org/0000-0001-5319-0862","affiliations":[{"raw_affiliation_string":"Pennsylvania State University","institution_ids":["https://openalex.org/I130769515"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077401838","display_name":"Adri C. T. van Duin","orcid":"https://orcid.org/0000-0002-3478-4945","observed_orcids":["https://orcid.org/0000-0002-3478-4945"]},"institutions":[{"id":"https://openalex.org/I130769515","display_name":"Pennsylvania State University","ror":"https://ror.org/04p491231","country_code":"US","type":"education","lineage":["https://openalex.org/I130769515"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"van Duin, Adri","raw_affiliation_strings":["Pennsylvania State University"],"raw_orcid":"https://orcid.org/0000-0002-3478-4945","affiliations":[{"raw_affiliation_string":"Pennsylvania State University","institution_ids":["https://openalex.org/I130769515"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052676605","display_name":"Charles T. Anderson","orcid":"https://orcid.org/0000-0001-7481-3571","observed_orcids":["https://orcid.org/0000-0001-7481-3571"]},"institutions":[{"id":"https://openalex.org/I130769515","display_name":"Pennsylvania State University","ror":"https://ror.org/04p491231","country_code":"US","type":"education","lineage":["https://openalex.org/I130769515"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anderson, Charles","raw_affiliation_strings":["Pennsylvania State University"],"raw_orcid":"https://orcid.org/0000-0001-7481-3571","affiliations":[{"raw_affiliation_string":"Pennsylvania State University","institution_ids":["https://openalex.org/I130769515"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003077680","display_name":"Daniel J. Cosgrove","orcid":"https://orcid.org/0000-0002-4020-5786","observed_orcids":["https://orcid.org/0000-0002-4020-5786"]},"institutions":[{"id":"https://openalex.org/I130769515","display_name":"Pennsylvania State University","ror":"https://ror.org/04p491231","country_code":"US","type":"education","lineage":["https://openalex.org/I130769515"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Cosgrove, Daniel J.","raw_affiliation_strings":["Pennsylvania State University"],"raw_orcid":"https://orcid.org/0000-0002-4020-5786","affiliations":[{"raw_affiliation_string":"Pennsylvania State University","institution_ids":["https://openalex.org/I130769515"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051272539","display_name":"Enrique Daniel Gomez","orcid":"https://orcid.org/0000-0001-8942-4480","observed_orcids":["https://orcid.org/0000-0001-8942-4480"]},"institutions":[{"id":"https://openalex.org/I130769515","display_name":"Pennsylvania State University","ror":"https://ror.org/04p491231","country_code":"US","type":"education","lineage":["https://openalex.org/I130769515"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gomez, Enrique","raw_affiliation_strings":["Pennsylvania State University"],"raw_orcid":"https://orcid.org/0000-0001-8942-4480","affiliations":[{"raw_affiliation_string":"Pennsylvania State University","institution_ids":["https://openalex.org/I130769515"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5058360244","display_name":"Susan B. Sinnott","orcid":"https://orcid.org/0000-0002-3598-0403","observed_orcids":["https://orcid.org/0000-0002-3598-0403"]},"institutions":[{"id":"https://openalex.org/I130769515","display_name":"Pennsylvania State University","ror":"https://ror.org/04p491231","country_code":"US","type":"education","lineage":["https://openalex.org/I130769515"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sinnott, Susan","raw_affiliation_strings":["Pennsylvania State University"],"raw_orcid":"https://orcid.org/0000-0002-3598-0403","affiliations":[{"raw_affiliation_string":"Pennsylvania State University","institution_ids":["https://openalex.org/I130769515"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I130769515"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"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/T10869","display_name":"Polysaccharides and Plant Cell Walls","score":0.9643999934196472,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10869","display_name":"Polysaccharides and Plant Cell Walls","score":0.9643999934196472,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10610","display_name":"Advanced Cellulose Research Studies","score":0.020999999716877937,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"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/T10484","display_name":"Wood Treatment and Properties","score":0.0017999999690800905,"subfield":{"id":"https://openalex.org/subfields/2215","display_name":"Building and Construction"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cellulose-microfibrils","display_name":"cellulose microfibrils","score":0.9850000143051147},{"id":"https://openalex.org/keywords/load-transfer","display_name":"load transfer","score":0.8889999985694885},{"id":"https://openalex.org/keywords/crystal-orientation","display_name":"crystal orientation","score":0.8939999938011169},{"id":"https://openalex.org/keywords/shear-stress","display_name":"shear stress","score":0.9750000238418579},{"id":"https://openalex.org/keywords/reaxff-potential","display_name":"ReaxFF potential","score":0.7639999985694885},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.5450000166893005}],"concepts":[{"id":"https://openalex.org/C2776455902","wikidata":"https://www.wikidata.org/wiki/Q417913","display_name":"Microfibril","level":3,"score":0.8464000225067139},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6934999823570251},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5038999915122986},{"id":"https://openalex.org/C2779251873","wikidata":"https://www.wikidata.org/wiki/Q80294","display_name":"Cellulose","level":2,"score":0.5022000074386597},{"id":"https://openalex.org/C2780021956","wikidata":"https://www.wikidata.org/wiki/Q21020749","display_name":"Cell mechanics","level":4,"score":0.45509999990463257},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.37630000710487366},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.36399999260902405},{"id":"https://openalex.org/C96035792","wikidata":"https://www.wikidata.org/wiki/Q43606218","display_name":"Shear (geology)","level":2,"score":0.3605000078678131},{"id":"https://openalex.org/C57879066","wikidata":"https://www.wikidata.org/wiki/Q41217","display_name":"Mechanics","level":1,"score":0.34769999980926514},{"id":"https://openalex.org/C2985313634","wikidata":"https://www.wikidata.org/wiki/Q581950","display_name":"Energy analysis","level":3,"score":0.33880001306533813},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.3294000029563904},{"id":"https://openalex.org/C155673373","wikidata":"https://www.wikidata.org/wiki/Q1648886","display_name":"Structural stability","level":2,"score":0.32679998874664307},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.32109999656677246},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3199000060558319},{"id":"https://openalex.org/C3018816774","wikidata":"https://www.wikidata.org/wiki/Q290671","display_name":"Single chain","level":3,"score":0.31299999356269836},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.30550000071525574},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3005000054836273},{"id":"https://openalex.org/C21141959","wikidata":"https://www.wikidata.org/wiki/Q657936","display_name":"Shear stress","level":2,"score":0.29649999737739563},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.2953999936580658},{"id":"https://openalex.org/C125235067","wikidata":"https://www.wikidata.org/wiki/Q128700","display_name":"Cell wall","level":2,"score":0.2946999967098236},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","level":1,"score":0.29120001196861267},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.28369998931884766},{"id":"https://openalex.org/C22140971","wikidata":"https://www.wikidata.org/wiki/Q7492174","display_name":"Shear force","level":2,"score":0.27459999918937683},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.27320000529289246},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.2718999981880188},{"id":"https://openalex.org/C66938386","wikidata":"https://www.wikidata.org/wiki/Q633538","display_name":"Structural engineering","level":1,"score":0.2694000005722046},{"id":"https://openalex.org/C21036866","wikidata":"https://www.wikidata.org/wiki/Q181767","display_name":"Stress (linguistics)","level":2,"score":0.2558000087738037},{"id":"https://openalex.org/C135402231","wikidata":"https://www.wikidata.org/wiki/Q898440","display_name":"Dissipation","level":2,"score":0.25380000472068787},{"id":"https://openalex.org/C199185054","wikidata":"https://www.wikidata.org/wiki/Q552299","display_name":"Chain (unit)","level":2,"score":0.25290000438690186},{"id":"https://openalex.org/C73301696","wikidata":"https://www.wikidata.org/wiki/Q5469984","display_name":"Formalism (music)","level":3,"score":0.2515000104904175}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.5281/zenodo.21462168","doi":"https://doi.org/10.5281/zenodo.21462168","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.21462168","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},{"id":"doi:10.5281/zenodo.21462169","doi":"https://doi.org/10.5281/zenodo.21462169","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.21462169","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"}],"best_oa_location":{"id":"doi:10.5281/zenodo.21462168","doi":"https://doi.org/10.5281/zenodo.21462168","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.21462168","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W7080656311","https://openalex.org/W6942671258","https://openalex.org/W6911140126","https://openalex.org/W6925556070","https://openalex.org/W7140171213","https://openalex.org/W6893223910","https://openalex.org/W6931996124","https://openalex.org/W7151401164","https://openalex.org/W7105899820","https://openalex.org/W6902173763"],"abstract_inverted_index":{"This":[0,40,86],"dataset":[1,87],"contains":[2],"the":[3,15,76,89,98,113,116,122,134],"input":[4,90],"structures,":[5],"LAMMPS":[6,57],"output":[7],"files,":[8],"and":[9,52,71,74,107],"data":[10,108],"analysis":[11,109,136],"files":[12],"discussed":[13,96],"in":[14,26,48,56,97,115],"manuscript":[16,41,99,123],"titled":[17],"\"Cellulose":[18],"Microfibril":[19],"Interfacial":[20],"Sliding":[21],"to":[22,58,111,121],"Regulate":[23],"Load":[24],"Transfer":[25],"Plant":[27],"Primary":[28],"Cell":[29],"Walls":[30],"through":[31],"Direct":[32],"or":[33,130],"Polymer-Mediated":[34],"Contact:":[35],"Insights":[36],"from":[37],"Molecular":[38],"Dynamics\".":[39],"implemented":[42],"static":[43],"ReaxFF":[44],"potential":[45],"energy":[46],"calculations":[47,95,129],"Amsterdam":[49],"Modeling":[50],"Suite":[51],"molecular":[53],"dynamics":[54],"simulations":[55,131],"calculate":[59],"cellulose":[60],"microfibril":[61],"(CMF)":[62],"interfibrillar":[63],"interfacial":[64],"thermodynamic":[65],"stability":[66],"along":[67],"different":[68],"crystallographic":[69],"orientations":[70],"polymer-mediated":[72],"contacts":[73],"estimate":[75],"shear":[77],"stress":[78],"for":[79,93,124,132],"CMF":[80],"sliding":[81],"under":[82],"an":[83],"applied":[84],"load.":[85],"included":[88],"structures":[91],"used":[92],"all":[94],"as":[100,102],"well":[101],"any":[103,128],"necessary":[104],"software":[105],"outputs":[106],"done":[110],"produce":[112],"results":[114],"manuscript.":[117],"One":[118],"should":[119],"refer":[120],"additional":[125],"details":[126],"about":[127],"which":[133],"inputs/outputs/data":[135],"are":[137],"provided":[138],"here.":[139]},"counts_by_year":[],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2026-08-11T00:00:00"}