| Microscopic Origins of the Anomalous Melting Behavior of Sodium under High Pressure. | |
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MedLine Citation:
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PMID: 22540486 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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X-ray diffraction experiments have shown that sodium exhibits a dramatic pressure-induced drop in melting temperature, which extends from 1000 K at ∼30 GPa to as low as room temperature at ∼120 GPa. Despite significant theoretical effort to understand the anomalous melting, its origins are still debated. In this work, we reconstruct the sodium phase diagram by using an ab initio quality neural-network potential. Furthermore, we demonstrate that the reentrant behavior results from the screening of interionic interactions by conduction electrons, which at high pressure induces a softening in the short-range repulsion. |
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Authors:
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Hagai Eshet; Rustam Z Khaliullin; Thomas D Kühne; Jörg Behler; Michele Parrinello |
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Publication Detail:
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Type: Journal Article Date: 2012-03-13 |
Journal Detail:
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Title: Physical review letters Volume: 108 ISSN: 1079-7114 ISO Abbreviation: Phys. Rev. Lett. Publication Date: 2012 Mar |
Date Detail:
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Created Date: 2012-04-30 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0401141 Medline TA: Phys Rev Lett Country: United States |
Other Details:
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Languages: eng Pagination: 115701 Citation Subset: IM |
Affiliation:
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Department of Chemistry and Applied Biosciences, ETH Zürich, and Facoltà di Informatica, Istituto di Scienze Computazionali, Università della Svizzera Italiana, via G. Buffi 13, 6900 Lugano, Switzerland. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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