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research article
Entropy based fingerprint for local crystalline order
Piaggi, Pablo M.
•
Parrinello, Michele
We introduce a new fingerprint that allows distinguishing between liquid-like and solid-like atomic environments. This fingerprint is based on an approximate expression for the entropy projected on individual atoms. When combined with local enthalpy, this fingerprint acquires an even finer resolution and it is capable of discriminating between different crystal structures. Published by AIP Publishing.
Type
research article
Web of Science ID
WOS:000411462100013
Authors
Piaggi, Pablo M.
•
Parrinello, Michele
Publication date
2017
Publisher
Published in
Volume
147
Issue
11
Article Number
114112
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
October 9, 2017
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