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Orientationally ordered phase produced by fully antinematic interactions: a simulation study.

Silvano Romano¹, Giovanni De Matteis

¹Dipartimento di Fisica A Volta, Università di Pavia, Via A Bassi 6, I-27100 Pavia, Italy. Silvano.Romano@pv.infn.it

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

|August 27, 2011

Summary

This summary is machine-generated.

This study introduces the PPP model for D(2h) symmetric particles on a cubic lattice, revealing a second-order phase transition to a biaxially ordered state. Thermal fluctuations select ground states, leading to orientational order at low temperatures.

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Area of Science:

* Condensed Matter Physics
* Statistical Mechanics
* Materials Science

Background:

* Investigates a classical model of D(2h) symmetric particles on a simple-cubic lattice.
* Focuses on pair potentials restricted to nearest neighbors, isotropic in orientation space.
* Examines a specific family of potentials with antinematic couplings (PPP model).

Purpose of the Study:

* To analyze the ground state properties and phase transitions of the PPP model.
* To explore the role of lattice structure and interaction range on degeneracy.
* To investigate orientational order driven by thermal fluctuations.

Main Methods:

* Simplified molecular field treatment.
* Monte Carlo simulations.
* Analysis of pair ground state propagation and degeneracy.

Main Results:

* The PPP model exhibits a doubly degenerate pair ground state.
* Nearest-neighbor interactions and lattice bipartite character increase degeneracy without frustration.
* A second-order phase transition to a low-temperature biaxially ordered phase was observed.
* Thermal fluctuations select ground-state configurations, inducing orientational order.

Conclusions:

* The PPP model transitions to a biaxially ordered phase at low temperatures.
* Molecular field theory and simulations agree on the transition type but differ in transition temperature.
* The study highlights the interplay between particle symmetry, lattice structure, and orientational ordering.