Document Detail

Microscopic origins of the anomalous melting behavior of sodium under high pressure.
MedLine Citation:
PMID:  22540486     Owner:  NLM     Status:  PubMed-not-MEDLINE    
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.
Hagai Eshet; Rustam Z Khaliullin; Thomas D Kühne; Jörg Behler; Michele Parrinello
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Publication Detail:
Type:  Journal Article     Date:  2012-03-13
Journal Detail:
Title:  Physical review letters     Volume:  108     ISSN:  1079-7114     ISO Abbreviation:  Phys. Rev. Lett.     Publication Date:  2012 Mar 
Date Detail:
Created Date:  2012-04-30     Completed Date:  2012-12-28     Revised Date:  2014-02-20    
Medline Journal Info:
Nlm Unique ID:  0401141     Medline TA:  Phys Rev Lett     Country:  United States    
Other Details:
Languages:  eng     Pagination:  115701     Citation Subset:  -    
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Grant Support
247075//European Research Council

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