{"id":"https://openalex.org/W7225429059","doi":"https://doi.org/10.1038/s41598-026-79646-0","title":"Coupling between structural evolution and glass transition in supercooled water","display_name":"Coupling between structural evolution and glass transition in supercooled water","publication_year":2026,"publication_date":"2026-11-06","ids":{"openalex":"https://openalex.org/W7225429059","doi":"https://doi.org/10.1038/s41598-026-79646-0"},"language":"en","primary_location":{"id":"doi:10.1038/s41598-026-79646-0","doi":"https://doi.org/10.1038/s41598-026-79646-0","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41598-026-79646-0","pdf_url":"https://www.nature.com/articles/s41598-026-79646-0.pdf","source":{"id":"https://openalex.org/S196734849","display_name":"Scientific Reports","issn_l":"2045-2322","issn":["2045-2322"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Reports","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.nature.com/articles/s41598-026-79646-0.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5083820061","display_name":"Vitaly Kocherbitov","orcid":"https://orcid.org/0000-0002-9852-5440","observed_orcids":["https://orcid.org/0000-0002-9852-5440"]},"institutions":[{"id":"https://openalex.org/I183111857","display_name":"Malm\u00f6 University","ror":"https://ror.org/05wp7an13","country_code":"SE","type":"education","lineage":["https://openalex.org/I183111857"]}],"countries":["SE"],"is_corresponding":true,"raw_author_name":"Vitaly Kocherbitov","raw_affiliation_strings":["Biofilms research center for Biointerfaces, Malm\u00f6 University, Malm\u00f6, SE-20506, Sweden","Department of Biomedical Science, Malm\u00f6 University, Malm\u00f6, SE- 20506, Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Biofilms research center for Biointerfaces, Malm\u00f6 University, Malm\u00f6, SE-20506, Sweden","institution_ids":["https://openalex.org/I183111857"]},{"raw_affiliation_string":"Department of Biomedical Science, Malm\u00f6 University, Malm\u00f6, SE- 20506, Sweden","institution_ids":["https://openalex.org/I183111857"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5083820061"],"corresponding_institution_ids":["https://openalex.org/I183111857"],"apc_list":{"value":2690,"currency":"USD","value_usd":2690},"apc_paid":{"value":2690,"currency":"USD","value_usd":2690},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"16","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10474","display_name":"Material Dynamics and Properties","score":0.9994999766349792,"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":0.9994999766349792,"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/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.0006000000284984708,"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/T10633","display_name":"Metallic Glasses and Amorphous Alloys","score":0.0,"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/supercooled-water","display_name":"supercooled water","score":0.9980000257492065},{"id":"https://openalex.org/keywords/glass-transition","display_name":"glass transition","score":0.9850000143051147},{"id":"https://openalex.org/keywords/structural-evolution","display_name":"structural evolution","score":0.7590000033378601},{"id":"https://openalex.org/keywords/tip4p-2005-water-model","display_name":"TIP4P/2005 water model","score":0.8370000123977661},{"id":"https://openalex.org/keywords/activation-energy","display_name":"activation energy","score":0.8190000057220459},{"id":"https://openalex.org/keywords/specific-heat-anomaly","display_name":"specific heat anomaly","score":0.6610000133514404},{"id":"https://openalex.org/keywords/kinetic-arrest","display_name":"kinetic arrest","score":0.6029999852180481},{"id":"https://openalex.org/keywords/tool-narayanaswamy-moynihan-model","display_name":"Tool-Narayanaswamy-Moynihan model","score":0.871999979019165},{"id":"https://openalex.org/keywords/nonequilibrium-dynamics","display_name":"nonequilibrium dynamics","score":0.574999988079071}],"concepts":[{"id":"https://openalex.org/C112964491","wikidata":"https://www.wikidata.org/wiki/Q213659","display_name":"Supercooling","level":2,"score":0.9444000124931335},{"id":"https://openalex.org/C122865956","wikidata":"https://www.wikidata.org/wiki/Q825643","display_name":"Glass transition","level":3,"score":0.7534999847412109},{"id":"https://openalex.org/C135889238","wikidata":"https://www.wikidata.org/wiki/Q46276","display_name":"Kinetic energy","level":2,"score":0.6657000184059143},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.6459000110626221},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.6241000294685364},{"id":"https://openalex.org/C74859849","wikidata":"https://www.wikidata.org/wiki/Q2466686","display_name":"Non-equilibrium thermodynamics","level":2,"score":0.6238999962806702},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5620999932289124},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.5410000085830688},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5174999833106995},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5052000284194946},{"id":"https://openalex.org/C39353612","wikidata":"https://www.wikidata.org/wiki/Q5283759","display_name":"Atmospheric temperature range","level":2,"score":0.4934000074863434},{"id":"https://openalex.org/C127172972","wikidata":"https://www.wikidata.org/wiki/Q128709","display_name":"Viscosity","level":2,"score":0.4812999963760376},{"id":"https://openalex.org/C131157278","wikidata":"https://www.wikidata.org/wiki/Q51363","display_name":"Thermodynamic equilibrium","level":2,"score":0.44920000433921814},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.39899998903274536},{"id":"https://openalex.org/C2778046766","wikidata":"https://www.wikidata.org/wiki/Q17052393","display_name":"Dynamical heterogeneity","level":4,"score":0.3937999904155731},{"id":"https://openalex.org/C148898269","wikidata":"https://www.wikidata.org/wiki/Q1108792","display_name":"Kinetics","level":2,"score":0.37709999084472656},{"id":"https://openalex.org/C47542005","wikidata":"https://www.wikidata.org/wiki/Q7834435","display_name":"Transition temperature","level":3,"score":0.32739999890327454},{"id":"https://openalex.org/C2989277613","wikidata":"https://www.wikidata.org/wiki/Q283","display_name":"Liquid water","level":2,"score":0.32589998841285706},{"id":"https://openalex.org/C181556327","wikidata":"https://www.wikidata.org/wiki/Q4014770","display_name":"Volume viscosity","level":3,"score":0.30790001153945923},{"id":"https://openalex.org/C119049451","wikidata":"https://www.wikidata.org/wiki/Q3318070","display_name":"Water model","level":3,"score":0.3046000003814697},{"id":"https://openalex.org/C2776718310","wikidata":"https://www.wikidata.org/wiki/Q3720200","display_name":"Cage effect","level":3,"score":0.29030001163482666},{"id":"https://openalex.org/C106553664","wikidata":"https://www.wikidata.org/wiki/Q1156744","display_name":"Time evolution","level":2,"score":0.2786000072956085},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.2759999930858612},{"id":"https://openalex.org/C2985276288","wikidata":"https://www.wikidata.org/wiki/Q16873139","display_name":"Melting temperature","level":2,"score":0.2685999870300293},{"id":"https://openalex.org/C135136745","wikidata":"https://www.wikidata.org/wiki/Q908074","display_name":"Dynamic equilibrium","level":2,"score":0.2513999938964844}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1038/s41598-026-79646-0","doi":"https://doi.org/10.1038/s41598-026-79646-0","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41598-026-79646-0","pdf_url":"https://www.nature.com/articles/s41598-026-79646-0.pdf","source":{"id":"https://openalex.org/S196734849","display_name":"Scientific Reports","issn_l":"2045-2322","issn":["2045-2322"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Reports","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:07eedb8bdfff435196bc5a53cd02764a","doi":null,"is_oa":false,"landing_page_url":"https://doaj.org/article/07eedb8bdfff435196bc5a53cd02764a","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,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Scientific Reports, Vol 16, Iss 1 (2026)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1038/s41598-026-79646-0","doi":"https://doi.org/10.1038/s41598-026-79646-0","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41598-026-79646-0","pdf_url":"https://www.nature.com/articles/s41598-026-79646-0.pdf","source":{"id":"https://openalex.org/S196734849","display_name":"Scientific Reports","issn_l":"2045-2322","issn":["2045-2322"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Reports","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320323521","display_name":"Malm\u00f6 H\u00f6gskola","ror":"https://ror.org/05wp7an13"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7225429059.pdf","grobid_xml":"https://content.openalex.org/works/W7225429059.grobid-xml"},"referenced_works_count":59,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1492647257","https://openalex.org/W1496368635","https://openalex.org/W1537479324","https://openalex.org/W1964852724","https://openalex.org/W1966078827","https://openalex.org/W1966108258","https://openalex.org/W1971861452","https://openalex.org/W1979339747","https://openalex.org/W1981314098","https://openalex.org/W1984162641","https://openalex.org/W1990989967","https://openalex.org/W1996886163","https://openalex.org/W2000456051","https://openalex.org/W2007301254","https://openalex.org/W2011528904","https://openalex.org/W2014563681","https://openalex.org/W2017019577","https://openalex.org/W2018154289","https://openalex.org/W2019356181","https://openalex.org/W2025145657","https://openalex.org/W2049254359","https://openalex.org/W2049603070","https://openalex.org/W2057477511","https://openalex.org/W2068281039","https://openalex.org/W2070556457","https://openalex.org/W2071143380","https://openalex.org/W2079310987","https://openalex.org/W2086079563","https://openalex.org/W2086381852","https://openalex.org/W2113345843","https://openalex.org/W2114131956","https://openalex.org/W2115407883","https://openalex.org/W2123158014","https://openalex.org/W2126005523","https://openalex.org/W2126088619","https://openalex.org/W2128389934","https://openalex.org/W2143719298","https://openalex.org/W2154181047","https://openalex.org/W2168679437","https://openalex.org/W2259644007","https://openalex.org/W2462754557","https://openalex.org/W2746483885","https://openalex.org/W2780484649","https://openalex.org/W2804134152","https://openalex.org/W2805950056","https://openalex.org/W2890589452","https://openalex.org/W2998843411","https://openalex.org/W3021960003","https://openalex.org/W3087711113","https://openalex.org/W3172064044","https://openalex.org/W4200097769","https://openalex.org/W4323928946","https://openalex.org/W4385664376","https://openalex.org/W4403052253","https://openalex.org/W4406799519","https://openalex.org/W4415066012","https://openalex.org/W7120263974","https://openalex.org/W7140566052"],"related_works":["https://openalex.org/W7214068025","https://openalex.org/W2781680703","https://openalex.org/W3215932636","https://openalex.org/W2132701172","https://openalex.org/W1998385854","https://openalex.org/W1899065133","https://openalex.org/W2146986779","https://openalex.org/W1987815728","https://openalex.org/W2160181975","https://openalex.org/W2046113629"],"abstract_inverted_index":{"Abstract":[0],"Water":[1],"exhibits":[2],"unique":[3],"structural,":[4],"thermodynamic,":[5],"and":[6,18,39,52,116,145,185],"dynamic":[7,186],"anomalies,":[8],"particularly":[9],"in":[10,128],"supercooled":[11],"states":[12],"where":[13],"structural":[14,141,170],"evolution":[15,142,171],"between":[16,143],"high-":[17,144],"low-density":[19,146],"liquid":[20,82,147],"environments":[21],"occurs":[22,127],"alongside":[23],"kinetic":[24,69,165],"arrest.":[25],"Here":[26],"we":[27,160],"use":[28],"molecular":[29],"dynamics":[30],"simulations":[31,74],"of":[32,35,87,101,109,181],"TIP4P/2005":[33],"model":[34,154],"water":[36],"with":[37,93,138,155],"cooling":[38,115],"heating":[40,117],"scan":[41],"rates":[42,118],"from":[43,164],"10":[44],"to":[45,49,106,120],"3000":[46],"K":[47],"\u00b5s\u207b\u00b9":[48],"investigate":[50],"equilibrium":[51,162],"nonequilibrium":[53],"behavior.":[54],"Above":[55],"~":[56],"220":[57],"K,":[58],"properties":[59],"are":[60],"scan-rate":[61],"independent,":[62],"indicating":[63],"equilibrium,":[64],"while":[65],"below":[66],"this":[67],"temperature":[68,85,131,191],"effects":[70],"dominate":[71],"on":[72],"the":[73,81,84,102,107,110,114,121,124,129,134,139,156],"time":[75],"scale,":[76],"reflecting":[77],"glassy":[78],"dynamics.":[79],"In":[80],"regime,":[83],"dependence":[86],"viscosity":[88],"reveals":[89],"two":[90],"relaxation":[91],"mechanisms":[92],"distinct":[94],"activation":[95],"energies.":[96],"The":[97],"rapid":[98],"slowing":[99],"down":[100],"lower-temperature":[103],"mechanism":[104],"leads":[105],"onset":[108],"glass":[111,125,173],"transition.":[112],"At":[113],"accessible":[119],"present":[122],"simulations,":[123],"transition":[126,174],"same":[130],"range":[132],"as":[133],"heat-capacity":[135],"maximum":[136],"associated":[137],"gradual":[140],"environments.":[148],"By":[149],"integrating":[150],"a":[151,178,189],"two-state":[152],"thermodynamic":[153,184],"Tool\u2013Narayanaswamy\u2013Moynihan":[157],"glass-transition":[158,166],"framework,":[159],"separate":[161],"anomalies":[163],"effects.":[167],"This":[168],"combined":[169],"\u2013":[172],"(SE-GT)":[175],"approach":[176],"provides":[177],"consistent":[179],"description":[180],"water\u2019s":[182],"coupled":[183],"behavior":[187],"across":[188],"broad":[190],"range.":[192]},"counts_by_year":[],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2026-11-07T00:00:00"}
