Entropy based fingerprint for local crystalline order
METADATA ONLY
Loading...
Author / Creator
Date
2017
Publication Type
Journal Article
ETH Bibliography
yes
Citations
Altmetric
METADATA ONLY
Data
Rights / License
Abstract
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.
Permanent link
Publication status
published
External links
Editor
Book title
Journal / series
Volume
147 (11)
Pages / Article No.
114112
Publisher
American Institute of Physics
Event
Edition / version
Methods
Geographic location
Date collected
Date created
Subject
Organisational unit
03575 - Parrinello, Michele (ehemalig) / Parrinello, Michele (former)