{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/83934"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/83934","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Molecular Dynamics and Ab Initio Studies on Nanofluidics in Boron Nitride Nanotubes","abstract":"Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs","abstract_html":"Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs","abstract_has_math":false,"creators":["Won, Chang Yeon"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Mechanical Engineering","degree_department":null,"school":null,"contributors":["Aluru, Narayana R."],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2015,"date_issued":"2015-09-25T21:12:46Z","date_published":"2015-09-25T21:12:46Z","updated_at":"2026-07-22T22:26:22Z","subjects":["Engineering, Materials Science"],"languages":["eng"],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["(MiAaPQ)AAI3363113"],"render_values":[{"text":"(MiAaPQ)AAI3363113","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2142/83934","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Aluru, Narayana R."]},{"key":"dc:creator","label":"Author","values":["Won, Chang Yeon"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2015-09-25T21:12:46Z","10000-01-01","2009"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Mechanical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Engineering, Materials Science"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/83934","(MiAaPQ)AAI3363113"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs","U of I Only","134 p.","We also performed studies on ion selectivity in BNNTs. 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Specifically, we showed that a finite length (10,10) BNNT with a diameter of 1.356 nm immersed in a reservoir of 1M KCl solution can selectively conduct Cl- ions, while K+ ions barely reach the center of the nanotube and do not conduct. In contrast, a (10,10) single-walled carbon nanotube of approximately the same diameter immersed in a 1M KCl solution can selectively conduct K+ ions through the nanotube. Finally, we also improve the water-BNNT Lennard-Jones (LJ) parameters by using ab initio methods and molecular dynamics simulations. With modified LJ parameters, molecular dynamics simulations of water droplet on hexagonal boron nitride sheet are carried out to determine water contact angle.","Made available in DSpace on 2015-09-25T21:12:46Z (GMT). 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