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ChemInform Abstract: Specific Heat of Amorphous Silica within the Harmonic Approximation.

✍ Scribed by Juergen Horbach; Walter Kob; Kurt Binder

Publisher: John Wiley and Sons
Year: 2010
Weight: 25 KB
Volume: 30
Category: Article
ISSN: 0931-7597
DOI: 10.1002/chin.199930002

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✦ Synopsis

Specific Heat of Amorphous Silica within the Harmonic Approximation.

-Molecular dynamics computer simulations show that the harmonic approximation is valid for temperatures below 300 K but starts to break down at higher temperatures. Due to the limited size of the system, the low-temp. specific heat obtained is about a factor of 2 smaller than that found in experiments. For higher temperatures the theoretical curves agree well with the experimental data.

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