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http://dspace.mediu.edu.my:8181/xmlui/handle/1721.1/3992| Title: | Vibrational thermodynamics: coupling of chemical order and size effects |
| Keywords: | Pd3V first-principles pseudopotential calculations vibrational thermodynamics size effects |
| Issue Date: | 9-Oct-2013 |
| Description: | We study the effects of vibrations in the Pd₃ system using first-principles pseudopotential calculations. We find that upon disordering from the DO₂₂ phase, the decreases by 0.07kB. We explain our results in terms of atomic relaxations and size effects. Singapore-MIT Alliance (SMA) |
| URI: | http://koha.mediu.edu.my:8181/xmlui/handle/1721 |
| Other Identifiers: | http://hdl.handle.net/1721.1/3992 |
| Appears in Collections: | MIT Items |
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