| Melting of cubic boron nitride at extreme pressures. | |
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MedLine Citation:
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PMID: 22251624 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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Due to its large pressure range of stability and inert nature, cubic boron nitride has been proposed as a potential pressure standard for high pressure experiments. It is extremely refractive upon compression, although its melting temperature is not known beyond 10 GPa. We apply first-principles molecular dynamics to evaluate the thermodynamics of zincblende structured (cubic) and liquid boron nitride at extreme temperatures and pressures, and compute the melting curve up to 1 TPa by integration of the Clapeyron equation. The resulting equations of state reveal that liquid boron nitride becomes denser than the solid phase at pressures of around 0.5 TPa. This is expressed as a turnover in the melting curve, which reaches a maximum at 510 GPa and 6550 ± 700 K. The origin of this density crossover is explained in terms of the underlying liquid structure, which diverges from that of the zincblende structured solid as the phases are compressed. |
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Authors:
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Nico de Koker |
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Publication Detail:
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Type: Journal Article Date: 2012-01-18 |
Journal Detail:
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Title: Journal of physics. Condensed matter : an Institute of Physics journal Volume: 24 ISSN: 1361-648X ISO Abbreviation: J Phys Condens Matter Publication Date: 2012 Feb |
Date Detail:
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Created Date: 2012-01-19 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 101165248 Medline TA: J Phys Condens Matter Country: England |
Other Details:
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Languages: eng Pagination: 055401 Citation Subset: IM |
Affiliation:
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Bayerisches Geoinstitut, Universität Bayreuth, Germany. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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