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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.

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Vibrational thermodynamics: coupling of chemical order and size effects

van de Walle, Axel, Morgan, Dane, Wu, Eric, Ceder, Gerbrand 01 1900 (has links)
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)
Pd3V
vibrational thermodynamics
size effects

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