{"id":"https://openalex.org/W2997756688","doi":"https://doi.org/10.1109/access.2019.2958411","title":"Microscopic Mechanism of Cellulose Bond Breaking and Bonding Based on Molecular Dynamics Simulation","display_name":"Microscopic Mechanism of Cellulose Bond Breaking and Bonding Based on Molecular Dynamics Simulation","publication_year":2019,"publication_date":"2019-01-01","ids":{"openalex":"https://openalex.org/W2997756688","doi":"https://doi.org/10.1109/access.2019.2958411","mag":"2997756688"},"language":"en","primary_location":{"id":"doi:10.1109/access.2019.2958411","is_oa":true,"landing_page_url":"https://doi.org/10.1109/access.2019.2958411","pdf_url":"https://ieeexplore.ieee.org/ielx7/6287639/8600701/08928537.pdf","source":{"id":"https://openalex.org/S2485537415","display_name":"IEEE Access","issn_l":"2169-3536","issn":["2169-3536"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Access","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://ieeexplore.ieee.org/ielx7/6287639/8600701/08928537.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5055349359","display_name":"Zhou Qing","orcid":"https://orcid.org/0000-0002-7842-8424"},"institutions":[{"id":"https://openalex.org/I150807315","display_name":"Guangxi University","ror":"https://ror.org/02c9qn167","country_code":"CN","type":"education","lineage":["https://openalex.org/I150807315"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qing Zhou","raw_affiliation_strings":["School of Electrical Engineering, Guangxi University, Nanning, China","ORCiD"],"raw_orcid":"https://orcid.org/0000-0002-7842-8424","affiliations":[{"raw_affiliation_string":"School of Electrical Engineering, Guangxi University, Nanning, China","institution_ids":["https://openalex.org/I150807315"]},{"raw_affiliation_string":"ORCiD","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016704871","display_name":"Hanbo Zheng","orcid":"https://orcid.org/0000-0002-7660-7293"},"institutions":[{"id":"https://openalex.org/I150807315","display_name":"Guangxi University","ror":"https://ror.org/02c9qn167","country_code":"CN","type":"education","lineage":["https://openalex.org/I150807315"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hanbo Zheng","raw_affiliation_strings":["School of Electrical Engineering, Guangxi University, Nanning, China","ORCiD"],"raw_orcid":"https://orcid.org/0000-0002-7660-7293","affiliations":[{"raw_affiliation_string":"School of Electrical Engineering, Guangxi University, Nanning, China","institution_ids":["https://openalex.org/I150807315"]},{"raw_affiliation_string":"ORCiD","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016071139","display_name":"Mengzhao Zhu","orcid":"https://orcid.org/0000-0002-8365-2498"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Mengzhao Zhu","raw_affiliation_strings":["State Grid Shandong Electric Power Research Institute, Jinan, China","ORCiD"],"raw_orcid":"https://orcid.org/0000-0002-8365-2498","affiliations":[{"raw_affiliation_string":"State Grid Shandong Electric Power Research Institute, Jinan, China","institution_ids":[]},{"raw_affiliation_string":"ORCiD","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100671807","display_name":"Yiyi Zhang","orcid":"https://orcid.org/0000-0001-8785-126X"},"institutions":[{"id":"https://openalex.org/I150807315","display_name":"Guangxi University","ror":"https://ror.org/02c9qn167","country_code":"CN","type":"education","lineage":["https://openalex.org/I150807315"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yiyi Zhang","raw_affiliation_strings":["School of Electrical Engineering, Guangxi University, Nanning, China","ORCiD"],"raw_orcid":"https://orcid.org/0000-0001-8785-126X","affiliations":[{"raw_affiliation_string":"School of Electrical Engineering, Guangxi University, Nanning, China","institution_ids":["https://openalex.org/I150807315"]},{"raw_affiliation_string":"ORCiD","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055114361","display_name":"Jiefeng Liu","orcid":"https://orcid.org/0000-0001-8394-6659"},"institutions":[{"id":"https://openalex.org/I150807315","display_name":"Guangxi University","ror":"https://ror.org/02c9qn167","country_code":"CN","type":"education","lineage":["https://openalex.org/I150807315"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jiefeng Liu","raw_affiliation_strings":["School of Electrical Engineering, Guangxi University, Nanning, China","ORCiD"],"raw_orcid":"https://orcid.org/0000-0001-8394-6659","affiliations":[{"raw_affiliation_string":"School of Electrical Engineering, Guangxi University, Nanning, China","institution_ids":["https://openalex.org/I150807315"]},{"raw_affiliation_string":"ORCiD","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085796248","display_name":"Bilian Liao","orcid":"https://orcid.org/0000-0002-3361-7651"},"institutions":[{"id":"https://openalex.org/I150807315","display_name":"Guangxi University","ror":"https://ror.org/02c9qn167","country_code":"CN","type":"education","lineage":["https://openalex.org/I150807315"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Bilian Liao","raw_affiliation_strings":["School of Electrical Engineering, Guangxi University, Nanning, China","ORCiD"],"raw_orcid":"https://orcid.org/0000-0002-3361-7651","affiliations":[{"raw_affiliation_string":"School of Electrical Engineering, Guangxi University, Nanning, China","institution_ids":["https://openalex.org/I150807315"]},{"raw_affiliation_string":"ORCiD","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5101482301","display_name":"Chaohai Zhang","orcid":"https://orcid.org/0000-0003-2761-6609"},"institutions":[{"id":"https://openalex.org/I150807315","display_name":"Guangxi University","ror":"https://ror.org/02c9qn167","country_code":"CN","type":"education","lineage":["https://openalex.org/I150807315"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chaohai Zhang","raw_affiliation_strings":["School of Electrical Engineering, Guangxi University, Nanning, China","ORCiD"],"raw_orcid":"https://orcid.org/0000-0003-2761-6609","affiliations":[{"raw_affiliation_string":"School of Electrical Engineering, Guangxi University, Nanning, China","institution_ids":["https://openalex.org/I150807315"]},{"raw_affiliation_string":"ORCiD","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":1850,"currency":"USD","value_usd":1850},"apc_paid":{"value":1850,"currency":"USD","value_usd":1850},"fwci":0.2578,"has_fulltext":true,"cited_by_count":8,"citation_normalized_percentile":{"value":0.52506546,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"7","issue":null,"first_page":"186193","last_page":"186200"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10610","display_name":"Advanced Cellulose Research Studies","score":0.9994999766349792,"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"}},"topics":[{"id":"https://openalex.org/T10610","display_name":"Advanced Cellulose Research Studies","score":0.9994999766349792,"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/T11208","display_name":"Lignin and Wood Chemistry","score":0.9973999857902527,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"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/T11181","display_name":"Advanced Data Storage Technologies","score":0.9355999827384949,"subfield":{"id":"https://openalex.org/subfields/1705","display_name":"Computer Networks and Communications"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cellulose","display_name":"Cellulose","score":0.6540790796279907},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.6505548357963562},{"id":"https://openalex.org/keywords/macromolecule","display_name":"Macromolecule","score":0.4963105320930481},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.45824098587036133},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.4512540102005005},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.40357673168182373},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3854132890701294},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.3786255717277527},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3495609164237976},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.33547115325927734},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3294907510280609},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.29106253385543823},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.10842856764793396}],"concepts":[{"id":"https://openalex.org/C2779251873","wikidata":"https://www.wikidata.org/wiki/Q80294","display_name":"Cellulose","level":2,"score":0.6540790796279907},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6505548357963562},{"id":"https://openalex.org/C204389451","wikidata":"https://www.wikidata.org/wiki/Q178593","display_name":"Macromolecule","level":2,"score":0.4963105320930481},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.45824098587036133},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.4512540102005005},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.40357673168182373},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3854132890701294},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3786255717277527},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3495609164237976},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.33547115325927734},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3294907510280609},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.29106253385543823},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.10842856764793396},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1109/access.2019.2958411","is_oa":true,"landing_page_url":"https://doi.org/10.1109/access.2019.2958411","pdf_url":"https://ieeexplore.ieee.org/ielx7/6287639/8600701/08928537.pdf","source":{"id":"https://openalex.org/S2485537415","display_name":"IEEE Access","issn_l":"2169-3536","issn":["2169-3536"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Access","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:bd5c80af66e645f080a8c22c1a12e624","is_oa":true,"landing_page_url":"https://doaj.org/article/bd5c80af66e645f080a8c22c1a12e624","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"IEEE Access, Vol 7, Pp 186193-186200 (2019)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1109/access.2019.2958411","is_oa":true,"landing_page_url":"https://doi.org/10.1109/access.2019.2958411","pdf_url":"https://ieeexplore.ieee.org/ielx7/6287639/8600701/08928537.pdf","source":{"id":"https://openalex.org/S2485537415","display_name":"IEEE Access","issn_l":"2169-3536","issn":["2169-3536"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Access","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2722569084","display_name":null,"funder_award_id":"61473272","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5703351203","display_name":null,"funder_award_id":"51907034","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G721553525","display_name":null,"funder_award_id":"2018JJB160064","funder_id":"https://openalex.org/F4320322768","funder_display_name":"Natural Science Foundation of Guangxi Province"},{"id":"https://openalex.org/G8398677836","display_name":null,"funder_award_id":"2018JJA160176","funder_id":"https://openalex.org/F4320322768","funder_display_name":"Natural Science Foundation of Guangxi Province"},{"id":"https://openalex.org/G8459379121","display_name":"\u9ad8\u538b\u5957\u7ba1\u6cb9\u7eb8\u7edd\u7f18\u52a3\u5316\u7684\u591a\u7ef4\u65f6/\u9891\u57df\u4ecb\u7535\u7279\u5f81\u6307\u7eb9\u8868\u5f81\u53ca\u5176\u591a\u56e0\u7d20\u8026\u5408\u5f71\u54cd\u673a\u7406\u7814\u7a76","funder_award_id":"51867003","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G939203945","display_name":null,"funder_award_id":"2018JJB160056","funder_id":"https://openalex.org/F4320322768","funder_display_name":"Natural Science Foundation of Guangxi Province"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320322768","display_name":"Natural Science Foundation of Guangxi Province","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2997756688.pdf","grobid_xml":"https://content.openalex.org/works/W2997756688.grobid-xml"},"referenced_works_count":44,"referenced_works":["https://openalex.org/W196755044","https://openalex.org/W1995856287","https://openalex.org/W2020429189","https://openalex.org/W2037857357","https://openalex.org/W2042140746","https://openalex.org/W2069988019","https://openalex.org/W2075002217","https://openalex.org/W2086673864","https://openalex.org/W2110097493","https://openalex.org/W2150345533","https://openalex.org/W2205356450","https://openalex.org/W2261515164","https://openalex.org/W2415033110","https://openalex.org/W2520940758","https://openalex.org/W2587067409","https://openalex.org/W2602303739","https://openalex.org/W2766230721","https://openalex.org/W2782912737","https://openalex.org/W2790629029","https://openalex.org/W2790779024","https://openalex.org/W2808826859","https://openalex.org/W2885430544","https://openalex.org/W2885758450","https://openalex.org/W2891429918","https://openalex.org/W2891452737","https://openalex.org/W2897535274","https://openalex.org/W2897547997","https://openalex.org/W2900301242","https://openalex.org/W2902997429","https://openalex.org/W2905091740","https://openalex.org/W2908507431","https://openalex.org/W2916354846","https://openalex.org/W2918635149","https://openalex.org/W2923724357","https://openalex.org/W2927833609","https://openalex.org/W2935978530","https://openalex.org/W2938560978","https://openalex.org/W2940571379","https://openalex.org/W2967584419","https://openalex.org/W2972862101","https://openalex.org/W2998097242","https://openalex.org/W3005404166","https://openalex.org/W3100165305","https://openalex.org/W6773797193"],"related_works":["https://openalex.org/W2044014390","https://openalex.org/W1846316342","https://openalex.org/W1964725291","https://openalex.org/W1984670152","https://openalex.org/W4241908044","https://openalex.org/W4210447090","https://openalex.org/W2043468722","https://openalex.org/W2083665351","https://openalex.org/W2063604123","https://openalex.org/W2095998738"],"abstract_inverted_index":{"The":[0],"ReaxFF":[1],"molecular":[2],"dynamics":[3,28],"simulation":[4,219],"and":[5,54,151,195,207],"Monte":[6],"Carlo":[7],"method":[8,77],"were":[9,172],"adopted":[10],"to":[11,30,40,63,112,138,154,174],"analyze":[12],"the":[13,22,33,43,48,52,57,66,73,107,118,145,148,152,156,176,189,192,205,213],"pyrolysis":[14,200],"process":[15,197],"of":[16,24,36,78,121,198],"cellulose":[17,79,199],"in":[18,82,164,212],"insulating":[19,83],"papers":[20],"from":[21],"perspective":[23],"microscopic":[25],"atom.":[26,38,67],"Molecular":[27],"failed":[29],"continuously":[31],"describe":[32],"motion":[34],"behavior":[35],"an":[37,217],"According":[39],"this":[41,165],"principle,":[42],"system":[44,157],"can":[45],"only":[46,183],"calculate":[47],"atomic":[49],"state":[50],"on":[51,191],"node":[53],"then":[55],"move":[56],"atom":[58],"by":[59],"a":[60,97,185],"time":[61],"step":[62,75,87,108,119,149,177],"continue":[64],"calculating":[65],"This":[68,179],"paper":[69],"would":[70,181],"put":[71],"forward":[72],"optimal":[74],"setting":[76,85],"thermal":[80],"decomposition":[81],"paper:":[84],"one":[86],"every":[88],"other":[89],"0.1":[90],"fs.":[91],"Specifically,":[92],"for":[93,188,209],"small":[94],"molecules":[95],"with":[96,123],"simple":[98],"structure,":[99],"such":[100],"as":[101,162],"H":[102],"<sub":[103,127,131],"xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"":[104,128,132],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">2</sub>":[105,129,133],"O,":[106],"size":[109,120,150],"was":[110,158,160],"set":[111,137,175],"0.4":[113],"fs":[114,140],"or":[115,141],"less,":[116],"while":[117],"macromolecules":[122],"complex":[124],"structures":[125],"(CH":[126],"O":[130],")":[134],"should":[135],"be":[136],"0.2":[139],"less.":[142],"In":[143,167],"addition,":[144],"relationship":[146],"between":[147],"temperature":[153],"which":[155],"heated":[159],"given":[161],"well":[163],"paper.":[166],"previous":[168],"literatures,":[169],"empirical":[170],"values":[171],"used":[173],"size.":[178],"study":[180,190],"not":[182],"provide":[184],"theoretical":[186],"basis":[187],"bond":[193],"formation":[194],"fracture":[196],"products,":[201],"but":[202],"also":[203],"offer":[204],"data":[206],"guidance":[208],"related":[210],"fields":[211],"future,":[214],"thus":[215],"rendering":[216],"efficient":[218],"process.":[220]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":1}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}