{"id":"https://openalex.org/W2115963983","doi":"https://doi.org/10.1115/mnht2008-52248","title":"Molecular Dynamics Simulation of Water and Ion Profiles Near Charged (100) and (111) Silicon Surfaces","display_name":"Molecular Dynamics Simulation of Water and Ion Profiles Near Charged (100) and (111) Silicon Surfaces","publication_year":2008,"publication_date":"2008-01-01","ids":{"openalex":"https://openalex.org/W2115963983","doi":"https://doi.org/10.1115/mnht2008-52248","mag":"2115963983"},"language":"en","primary_location":{"id":"doi:10.1115/mnht2008-52248","doi":"https://doi.org/10.1115/mnht2008-52248","is_oa":false,"landing_page_url":"https://doi.org/10.1115/mnht2008-52248","pdf_url":null,"source":{"id":"https://openalex.org/S4306503394","display_name":"ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B","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":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B","raw_type":"proceedings-article"},"volume":null,"type":"conference-paper","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/A5062442538","display_name":"Dongyan Xu","orcid":"https://orcid.org/0000-0002-0548-8813","observed_orcids":["https://orcid.org/0000-0002-0548-8813"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dongyan Xu","raw_affiliation_strings":["Vanderbilt University, Nashville, TN"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Vanderbilt University, Nashville, TN","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100698989","display_name":"Deyu Li","orcid":"https://orcid.org/0000-0001-8364-0924","observed_orcids":["https://orcid.org/0000-0001-8364-0924"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Deyu Li","raw_affiliation_strings":["Vanderbilt University, Nashville, TN"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Vanderbilt University, Nashville, TN","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018878010","display_name":"Yongsheng Leng","orcid":"https://orcid.org/0000-0002-3558-5016","observed_orcids":["https://orcid.org/0000-0002-3558-5016"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yongsheng Leng","raw_affiliation_strings":["Vanderbilt University, Nashville, TN"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Vanderbilt University, Nashville, TN","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5089727554","display_name":"Yunfei Chen","orcid":"https://orcid.org/0000-0002-8682-868X","observed_orcids":["https://orcid.org/0000-0002-8682-868X"]},"institutions":[{"id":"https://openalex.org/I76569877","display_name":"Southeast University","ror":"https://ror.org/04ct4d772","country_code":"CN","type":"education","lineage":["https://openalex.org/I76569877"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yunfei Chen","raw_affiliation_strings":["Southeast University, Nanjing, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Southeast University, Nanjing, China","institution_ids":["https://openalex.org/I76569877"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.22089928,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"239","last_page":"244"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11582","display_name":"Nanopore and Nanochannel Transport Studies","score":0.8672000169754028,"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"}},"topics":[{"id":"https://openalex.org/T11582","display_name":"Nanopore and Nanochannel Transport Studies","score":0.8672000169754028,"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/T12274","display_name":"Electrostatics and Colloid Interactions","score":0.12520000338554382,"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/T10412","display_name":"Microfluidic and Capillary Electrophoresis Applications","score":0.0012000000569969416,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/silicon-surface","display_name":"silicon surface","score":0.8130000233650208},{"id":"https://openalex.org/keywords/100-silicon","display_name":"(100) silicon","score":0.8029999732971191},{"id":"https://openalex.org/keywords/si-111","display_name":"Si(111)","score":1.0},{"id":"https://openalex.org/keywords/surface-charge-density","display_name":"surface charge density","score":0.9409999847412109},{"id":"https://openalex.org/keywords/water-adsorption","display_name":"water adsorption","score":0.6660000085830688},{"id":"https://openalex.org/keywords/ion-distribution","display_name":"ion distribution","score":0.6480000019073486},{"id":"https://openalex.org/keywords/water-orientation","display_name":"water orientation","score":0.625},{"id":"https://openalex.org/keywords/water-layering","display_name":"water layering","score":0.6349999904632568},{"id":"https://openalex.org/keywords/nanofluidics","display_name":"nanofluidics","score":0.9070000052452087},{"id":"https://openalex.org/keywords/electrolytes","display_name":"electrolytes","score":0.5699999928474426},{"id":"https://openalex.org/keywords/surface-polarization","display_name":"surface polarization","score":0.5320000052452087}],"concepts":[{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.7581720352172852},{"id":"https://openalex.org/C544956773","wikidata":"https://www.wikidata.org/wiki/Q670","display_name":"Silicon","level":2,"score":0.7520552277565002},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7439906001091003},{"id":"https://openalex.org/C57527310","wikidata":"https://www.wikidata.org/wiki/Q1764073","display_name":"Nanofluidics","level":2,"score":0.6410114169120789},{"id":"https://openalex.org/C150708132","wikidata":"https://www.wikidata.org/wiki/Q744771","display_name":"Charge density","level":2,"score":0.6328263282775879},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6136494874954224},{"id":"https://openalex.org/C139287275","wikidata":"https://www.wikidata.org/wiki/Q869891","display_name":"Polarizability","level":3,"score":0.5937771797180176},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.5678156018257141},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5604941844940186},{"id":"https://openalex.org/C2780358262","wikidata":"https://www.wikidata.org/wiki/Q1540423","display_name":"Surface charge","level":2,"score":0.5482006669044495},{"id":"https://openalex.org/C2182769","wikidata":"https://www.wikidata.org/wiki/Q62500","display_name":"Ionic bonding","level":3,"score":0.4965983033180237},{"id":"https://openalex.org/C68801617","wikidata":"https://www.wikidata.org/wiki/Q162908","display_name":"Electrolyte","level":3,"score":0.46493929624557495},{"id":"https://openalex.org/C2779227376","wikidata":"https://www.wikidata.org/wiki/Q6505497","display_name":"Layer (electronics)","level":2,"score":0.4194672703742981},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.39644190669059753},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2608601152896881},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.21964940428733826},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.1528090238571167},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.1233208179473877},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0966772735118866},{"id":"https://openalex.org/C17525397","wikidata":"https://www.wikidata.org/wiki/Q176140","display_name":"Electrode","level":2,"score":0.06792351603507996},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1115/mnht2008-52248","doi":"https://doi.org/10.1115/mnht2008-52248","is_oa":false,"landing_page_url":"https://doi.org/10.1115/mnht2008-52248","pdf_url":null,"source":{"id":"https://openalex.org/S4306503394","display_name":"ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B","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":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[{"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6","score":0.8100000023841858}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320338287","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2054718693","https://openalex.org/W1975445731","https://openalex.org/W1988879462","https://openalex.org/W1996764668","https://openalex.org/W2063163315","https://openalex.org/W2077734122","https://openalex.org/W2130556787","https://openalex.org/W3036457295","https://openalex.org/W2025144519","https://openalex.org/W2256307769"],"abstract_inverted_index":{"Fundamental":[0],"studies":[1],"in":[2,8,30,53,79],"nanofluidics":[3],"have":[4],"attracted":[5],"significant":[6],"attention":[7],"the":[9,13,24,41,48,54,80,95,102,110,122,136,179],"past":[10],"decade":[11],"since":[12],"success":[14],"of":[15,23,40,43,97,138,145,166,184],"nanofluidic":[16],"devices":[17],"depends":[18],"on":[19,47],"a":[20,156,162],"thorough":[21],"understanding":[22],"fluidic,":[25],"ionic,":[26],"and":[27,50,64,92,134,186],"molecular":[28,37],"behaviors":[29],"highly":[31],"confined":[32],"nano-environments.":[33],"In":[34],"this":[35],"work,":[36],"dynamics":[38],"simulations":[39],"effect":[42],"surface":[44,71,111,125,159,163,181],"charge":[45,112,164],"densities":[46,183],"ion":[49],"water":[51,86,98,115,139,151],"distribution":[52],"near":[55,155],"wall":[56],"region":[57],"has":[58],"been":[59],"performed":[60],"for":[61],"both":[62],"(100)":[63,123,185],"(111)":[65,157,187],"silicon":[66,124,158,188],"surfaces.":[67,189],"We":[68],"demonstrate":[69],"that":[70,108],"charges":[72],"not":[73],"only":[74],"interact":[75,84],"with":[76,85],"mobile":[77],"ions":[78],"electrolyte,":[81],"but":[82],"also":[83],"molecules":[87,99,116,140],"due":[88],"to":[89,101,178],"their":[90],"polarizability":[91],"hence":[93],"influence":[94],"orientation":[96,137],"close":[100],"charged":[103],"surface.":[104],"It":[105],"is":[106,141,153],"shown":[107],"as":[109,167,169],"density":[113,165],"increases,":[114],"within":[117],"\u223c":[118],"5":[119],"\u00c5":[120],"from":[121,128],"can":[126],"evolve":[127],"one":[129],"layer":[130,152],"into":[131],"two":[132],"layers":[133],"meanwhile,":[135],"more":[142],"aligned":[143],"instead":[144],"randomly":[146],"distributed.":[147],"However,":[148],"no":[149],"extra":[150],"observed":[154],"even":[160],"under":[161],"high":[168],"\u22120.2034":[170],"C/m2.":[171],"The":[172],"above":[173],"phenomenon":[174],"may":[175],"be":[176],"related":[177],"different":[180],"atom":[182]},"counts_by_year":[],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2016-06-24T00:00:00"}