{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/16140"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/16140","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Molecular dynamics-Lattice Boltzmann hybrid method on graphics processors","abstract":"Molecular Dynamics is an atomistic computational tool that has become popular due to its ability to predict nano-scale fluid phenomena. For studying flows, a non-equilibrium method is implemented involving characterization of boundary and other conditions to properly simulate the flow. Using a leap-frog integration scheme in conjunction with immersed boundary treatment and a stochastic model, this code is suitable for flow calculations in any type of geometry. Lattice Boltzmann is a meso-scale continuum solver that has also become popular recently due to its relative efficiency in solving flow patterns compared to Navier-Stokes implementations. This work utilizes a Lattice Boltzmann code which is optimized for the novel architecture. Graphics processors are a novel paradigm for performing scientific computation. With recent advances in the programming structure on graphics processors, large speedups are able to be gained at an economical price compared to traditional CPU solvers. In this study, Molecular Dynamics and Lattice Boltzmann have been coupled to solve problems in the nano-scale regime. Molecular Dynamics is utilized to solve near wall regions while Lattice Boltzmann solves the rest of the domain. This is implemented using a novel method on the Graphics Processing Unit, showing speed increases of 5-10x for purely Molecular Dynamics, and 50-75x for purely Lattice Boltzmann compared to a modern CPU. We examine physics of straight and bellow channels using the individual solvers and the hybrid solver to show the viability of these methods implemented on Graphics Processing Units.","abstract_html":"Molecular Dynamics is an atomistic computational tool that has become popular due to its ability to predict nano-scale fluid phenomena. For studying flows, a non-equilibrium method is implemented involving characterization of boundary and other conditions to properly simulate the flow. Using a leap-frog integration scheme in conjunction with immersed boundary treatment and a stochastic model, this code is suitable for flow calculations in any type of geometry. Lattice Boltzmann is a meso-scale continuum solver that has also become popular recently due to its relative efficiency in solving flow patterns compared to Navier-Stokes implementations. This work utilizes a Lattice Boltzmann code which is optimized for the novel architecture. Graphics processors are a novel paradigm for performing scientific computation. With recent advances in the programming structure on graphics processors, large speedups are able to be gained at an economical price compared to traditional CPU solvers. In this study, Molecular Dynamics and Lattice Boltzmann have been coupled to solve problems in the nano-scale regime. Molecular Dynamics is utilized to solve near wall regions while Lattice Boltzmann solves the rest of the domain. This is implemented using a novel method on the Graphics Processing Unit, showing speed increases of 5-10x for purely Molecular Dynamics, and 50-75x for purely Lattice Boltzmann compared to a modern CPU. We examine physics of straight and bellow channels using the individual solvers and the hybrid solver to show the viability of these methods implemented on Graphics Processing Units.","abstract_has_math":false,"creators":["Marsh, Daniel D."],"institution":"University of Illinois at Urbana-Champaign","degree_name":"M.S.","degree_level":"Thesis","degree_discipline":"Mechanical Engineering","degree_department":null,"school":null,"contributors":["Vanka, Surya Pratap"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2010,"date_issued":"2010-05-19T18:38:31Z","date_published":"2010-05-19T18:38:31Z","updated_at":"2026-07-22T22:25:08Z","subjects":["wavy","bellow","hybrid","Computational fluid dynamics (CFD)","molecular dynamics","lattice boltzmann","graphics processors"],"languages":["en"],"rights":["Copyright 2010 Daniel Douglas Marsh"],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/2142/16140","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Vanka, Surya Pratap"]},{"key":"dc:creator","label":"Author","values":["Marsh, Daniel D."]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2010-05-19T18:38:31Z","2010-5"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Mechanical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["M.S."]},{"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":["wavy","bellow","hybrid","Computational fluid dynamics (CFD)","molecular dynamics","lattice boltzmann","graphics processors"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["Copyright 2010 Daniel Douglas Marsh"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/16140"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Molecular Dynamics is an atomistic computational tool that has become popular due to its ability to predict nano-scale fluid phenomena. 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Molecular Dynamics is utilized to solve near wall regions while Lattice Boltzmann solves the rest of the domain. This is implemented using a novel method on the Graphics Processing Unit, showing speed increases of 5-10x for purely Molecular Dynamics, and 50-75x for purely Lattice Boltzmann compared to a modern CPU. We examine physics of straight and bellow channels using the individual solvers and the hybrid solver to show the viability of these methods implemented on Graphics Processing Units.","Item withdrawn by Mark Zulauf (zulauf@illinois.edu) on 2010-04-26T19:53:04Z Item was in collections: University of Illinois Theses & Dissertations (ID: 1) No. of bitstreams: 2 Marsh_Daniel_source.zip: 3622146 bytes, checksum: 9a0128e9dd37868ee663801275cfac28 (MD5) Marsh_Daniel.pdf: 1345629 bytes, checksum: 06476290e81a9a383b24555594d41c00 (MD5)","Made available in DSpace on 2010-05-19T18:38:31Z (GMT). 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Using a leap-frog integration scheme in conjunction with immersed boundary treatment and a stochastic model, this code is suitable for flow calculations in any type of geometry. Lattice Boltzmann is a meso-scale continuum solver that has also become popular recently due to its relative efficiency in solving flow patterns compared to Navier-Stokes implementations. This work utilizes a Lattice Boltzmann code which is optimized for the novel architecture. Graphics processors are a novel paradigm for performing scientific computation. With recent advances in the programming structure on graphics processors, large speedups are able to be gained at an economical price compared to traditional CPU solvers. In this study, Molecular Dynamics and Lattice Boltzmann have been coupled to solve problems in the nano-scale regime. Molecular Dynamics is utilized to solve near wall regions while Lattice Boltzmann solves the rest of the domain. 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