Isomorph Invariance of Higher-Order Structural Measures in Four Lennard–Jones Systems

Isomorph Invariance of Higher-Order Structural Measures in Four Lennard–Jones Systems

In the condensed liquid phase, both single- and multicomponent Lennard–Jones (LJ) systems obey the “hidden-scale-invariance” symmetry to a good approximation. Defining an isomorph as a line of constant excess entropy in the thermodynamic phase diagram, the consequent approximate isomorph invariance...

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Bibliographic Details
Main Authors: Mahajabin Rahman, Benjamin M. G. D. Carter, Shibu Saw, Ian M. Douglass, Lorenzo Costigliola, Trond S. Ingebrigtsen, Thomas B. Schrøder, Ulf R. Pedersen, Jeppe C. Dyre
Format: Article
Language:English
Published: MDPI AG 2021-03-01
Series:Molecules
Subjects:
Lennard-Jones system
Voronoi structures
Frank-Kasper bonds
icosahedral local order
bond-orientational order
density scaling
Online Access:https://www.mdpi.com/1420-3049/26/6/1746

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https://www.mdpi.com/1420-3049/26/6/1746

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