Carbon nanotubes thermal conductivity analysis using molecular dynamics simulations

dc.contributor.advisorBayazitoglu, Yildiz
dc.creatorToprak, Kasim
dc.date.accessioned2011-07-25T02:07:18Z
dc.date.available2011-07-25T02:07:18Z
dc.date.issued2010
dc.description.abstractNon-equilibrium molecular dynamics simulations are used to determine the thermal conductivities of (5,5) single wall carbon nanotubes. By fixing the temperatures of opposing ends of an armchair single wall carbon nanotube with a Nose-Hoover thermostat, the length dependence of thermal conductivities of single wall carbon nanotubes were studied in vacuum. Specifically, single wall carbon nanotubes of 12.3 nm, 24.6 nm, and 36.9 nm lengths with varying fixed end temperatures were analyzed to determine thermal conductivities. In addition, the fixed end temperature lengths of single wall carbon nanotubes were varied to see convergence of the temperature profiles. The equivalent thermal resistance of single wall carbon nanotube bundle in water was modeled using the one dimensional heat conduction equation. The preliminary effective thermal conductivity of the system was calculated with different nanotube structures for a length ranging from 500 nm to 3000 nm to observe effective thermal conductivity variations. The effective thermal conductivity increases when the volume fraction of SWNTs and the nanotube length increase.
dc.format.mimetypeapplication/pdf
dc.identifier.callnoTHESIS M.E. 2011 TOPRAK
dc.identifier.citationToprak, Kasim. "Carbon nanotubes thermal conductivity analysis using molecular dynamics simulations." (2010) Master’s Thesis, Rice University. <a href="https://hdl.handle.net/1911/62187">https://hdl.handle.net/1911/62187</a>.
dc.identifier.urihttps://hdl.handle.net/1911/62187
dc.language.isoeng
dc.rightsCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.
dc.subjectChemical engineering
dc.subjectMechanical engineering
dc.subjectMaterials science
dc.titleCarbon nanotubes thermal conductivity analysis using molecular dynamics simulations
dc.typeThesis
dc.type.materialText
thesis.degree.departmentMechanical Engineering
thesis.degree.disciplineEngineering
thesis.degree.grantorRice University
thesis.degree.levelMasters
thesis.degree.nameMaster of Science
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