Ab-initio elastic and thermodynamic properties of high-temperature cubic intermetallics at finite temperatures
In thiswork we present the development of a method for the prediciton of finite temperature elastic and thermodynamic properties of cubic, non-magnetic unary and binary metals from first principles calculations. Vibrational, electronic and anharmonic contributions to the free energy are accounted fo...
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| Format: | Others |
| Language: | en_US |
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2010
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| Online Access: | http://hdl.handle.net/1969.1/ETD-TAMU-2779 http://hdl.handle.net/1969.1/ETD-TAMU-2779 |