Use this URL to cite or link to this record in EThOS: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.691180 |
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Title: | Understanding phonon scattering and predicting thermal conductivity from molecular dynamics simulation | ||||
Author: | Spiteri, David |
ISNI:
0000 0004 5916 8836
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Awarding Body: | University of Bristol | ||||
Current Institution: | University of Bristol | ||||
Date of Award: | 2015 | ||||
Availability of Full Text: |
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Abstract: | |||||
Molecular dynamics simulation was used to study and to estimate the effect of
thermally resistive mechanisms in non-metallic crystalline solids. The first part
of this work focused on line dislocations parallel to the heat flow. At a dislocation
density of 1013 cm-2 , edge dislocations caused by an extra half-plane of atoms
parallel to the heat flow were found to reduce the thermal conductivity of gallium
nitride to 54% of the defect-free value. Using an extrapolation procedure,
at dislocation densities of 1012 and 1011 cm-2 , the conductivity was estimated to
be 82% and 98% of the defect-free value respectively. For a dislocation density
of 2 x 1012 cm-2 , open-core screw dislocations were found to cause a greater reduction,
by a factor of about 1.2. These results suggest that, in principle, dislocations
parallel to the heat flow can have a significant impact on the thermal conductivity
only when the dislocation density is very high.
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Supervisor: | Not available | Sponsor: | Not available | ||
Qualification Name: | Thesis (Ph.D.) | Qualification Level: | Doctoral | ||
EThOS ID: | uk.bl.ethos.691180 | DOI: | Not available | ||
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