AI Article Synopsis
- A new fingerprint method is introduced to differentiate between liquid-like and solid-like atomic environments.
- This fingerprint uses an approximate entropy expression focused on individual atoms.
- When paired with local enthalpy, it provides enhanced detail, allowing for the identification of various crystal structures.
Article 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.
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| http://dx.doi.org/10.1063/1.4998408 | DOI Listing |
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