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High-pressure behaviour of GeO2: a simulation study.

Abstract:

In this work we study the high-pressure behaviour of liquid and glassy GeO(2) by means of molecular dynamics simulations. The interaction potential, which includes dipole polarization effects, was parametrized using first-principles calculations. Our simulations reproduce the most recent experimental structural data very well. The character of the pressure-induced structural transition in the glassy system has been a matter of controversy. We show that our simulations and the experimental dat...

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Publication status:
Published

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Authors


Marrocchelli, D More by this author
Salanne, M More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
Journal:
Journal of physics. Condensed matter : an Institute of Physics journal
Volume:
22
Issue:
15
Pages:
152102
Publication date:
2010-04-05
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
URN:
uuid:1e9aee2c-737d-45b4-b5db-fa64610693de
Source identifiers:
369744
Local pid:
pubs:369744
Language:
English

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