Thermal Properties of Yttrium Aluminum Garnett from Molecular Dynamics Simulations
dc.creator | alDosari, Majid Saad | |
dc.date.accessioned | 2020-08-22T00:02:59Z | |
dc.date.available | 2012-04-10 | |
dc.date.issued | 2012-04-10 | |
dc.identifier.uri | https://etd.library.vanderbilt.edu/etd-03262012-212003 | |
dc.identifier.uri | http://hdl.handle.net/1803/11424 | |
dc.description.abstract | Yttrium Aluminum Garnet (YAG,Y_(3)Al_(5)O_(12)) and its varieties have applications in thermographic phosphors, lasing mediums, and thermal barriers. In this work, thermal properties of crystalline YAG where aluminum atoms are substituted with gallium atoms (Y_(3)(Al_(1-x)Ga_(x))_(5)O_(12))) are explored with molecular dynamics simulations. For YAG at 300K, the simulations gave values close to experimental values for constant-pressure specific heat, melting temperature, and thermal expansion. For various values of x, the simulations predicted no change in thermal expansion, and a decrease in specific heat with increasing x. The melting temperature was difficult to determine however. Non-equilibrium simulations predicted bulk thermal conductivity approaching experimental bulk values. Furthermore, conductivity for x=0 was higher than that of x=1, which was in turn higher than that of x=0.5 for all system sizes. | |
dc.format.mimetype | application/pdf | |
dc.subject | molecular dynamics | |
dc.subject | yag | |
dc.subject | thermal conductivity | |
dc.subject | heat capacity | |
dc.subject | thermal expansion | |
dc.subject | melting | |
dc.title | Thermal Properties of Yttrium Aluminum Garnett from Molecular Dynamics Simulations | |
dc.type | thesis | |
dc.contributor.committeeMember | Jason Valentine | |
dc.contributor.committeeMember | Deyu Li | |
dc.type.material | text | |
thesis.degree.name | MS | |
thesis.degree.level | thesis | |
thesis.degree.discipline | Mechanical Engineering | |
thesis.degree.grantor | Vanderbilt University | |
local.embargo.terms | 2012-04-10 | |
local.embargo.lift | 2012-04-10 | |
dc.contributor.committeeChair | Greg Walker |
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