Can I read Predictive Orientational Phase Behavior in Convex Polyhedral Entropic Crystals on EtoBox?

Predictive Orientational Phase Behavior in Convex Polyhedral Entropic Crystals by Kundu, Sumitava; Chakraborty, Kaustav; Das, Avisek is a scholarly article available to read on EtoBox.

What is Predictive Orientational Phase Behavior in Convex Polyhedral Entropic Crystals about?

Hard convex polyhedra, idealized models for anisotropic colloids and nanoparticles, are known to form variety of orientational phases despite the regular arrangement of particles in the crystalline assemblies. Based on the orientational behavior of the constituents particles, such phases could be categorized into freely rotating plastic crystals (PC), discrete plastic crystals (DPC) and orientationally ordered crystals (OC). In this article, we report an extensive Monte Carlo computer simulation study of sixty hard convex polyhedral shape indicating a direct predictive relationship between the nature of orientational phases in the crystalline assemblies and single-particle shape attributes. The influence of three attributes namely; (i) Isoperimetric Quotient (IQ) i.e., the extent of asphericity; (ii) isotropy of the moment of inertia tensor in the principal frame and (iii) number of symmetry operations in the point group of the particle and self-assembled crystal structure, were observed to control the orientational phase behavior of the entire solid region in many-body system. The translational order in the crystal appeared to play significant role only in the DPC phase, where as,

Author

Kundu, Sumitava; Chakraborty, Kaustav; Das, Avisek

Published

2024

Language

EN