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Lattice thermal conductivity of ultra high temperature ceramics zrb2 and hfb2 from atomistic simulations
| Content Provider | NASA Technical Reports Server (NTRS) |
|---|---|
| Author | Bauschlicher Jr., Charles W. Murray, Daw S. Lawson, John W. |
| Copyright Year | 2011 |
| Description | Atomistic Green-Kubo simulations are performed to evaluate the lattice thermal conductivity for single crystals of the ultra high temperature ceramics ZrB2 and HfB2 for a range of temperatures. Recently developed interatomic potentials are used for these simulations. Heat current correlation functions show rapid oscillations which can be identified with mixed metal-Boron optical phonon modes. Agreement with available experimental data is good. |
| File Size | 236486 |
| Page Count | 14 |
| File Format | |
| Alternate Webpage(s) | http://archive.org/details/NASA_NTRS_Archive_20110015597 |
| Archival Resource Key | ark:/13960/t9f52np6h |
| Language | English |
| Publisher Date | 2011-01-01 |
| Access Restriction | Open |
| Subject Keyword | Solid-state Physics Single Crystals Temperature Dependence Crystal Lattices Simulation Interatomic Forces Phonons Atoms Thermal Conductivity Ceramics Boron Compounds Ntrs Nasa Technical Reports Server (ntrs) Nasa Technical Reports Server Aerodynamics Aircraft Aerospace Engineering Aerospace Aeronautic Space Science |
| Content Type | Text |
| Resource Type | Article |
