Display options
Cite
Varga S, Martínez-Ratón Y, Velasco E, et al. Effect of orientational restriction on monolayers of hard ellipsoids. Phys Chem Chem Phys. 2016;18(6):4547-56doi: 10.1039/c5cp05702g.
Varga, S., Martínez-Ratón, Y., Velasco, E., Bautista-Carbajal, G., & Odriozola, G. (2016). Effect of orientational restriction on monolayers of hard ellipsoids. Physical chemistry chemical physics : PCCP, 18(6), 4547-56. https://doi.org/10.1039/c5cp05702g
Varga, Szabolcs, et al. "Effect of orientational restriction on monolayers of hard ellipsoids." Physical chemistry chemical physics : PCCP vol. 18,6 (2016): 4547-56. doi: https://doi.org/10.1039/c5cp05702g
Varga S, Martínez-Ratón Y, Velasco E, Bautista-Carbajal G, Odriozola G. Effect of orientational restriction on monolayers of hard ellipsoids. Phys Chem Chem Phys. 2016 Feb 14;18(6):4547-56. doi: 10.1039/c5cp05702g. PMID: 26796794.
Copy Download .nbib Format: NLM
Share it on

Phys Chem Chem Phys. 2016 Feb 14;18(6):4547-56. doi: 10.1039/c5cp05702g.

Effect of orientational restriction on monolayers of hard ellipsoids.

Physical chemistry chemical physics : PCCP

Szabolcs Varga, Yuri Martínez-Ratón, Enrique Velasco, Gustavo Bautista-Carbajal, Gerardo Odriozola

Affiliations

  1. Institute of Physics and Mechatronics, University of Pannonia, PO Box 158, Veszprém, H-8201 Hungary.
  2. Grupo Interdisciplinar de Sistemas Complejos (GISC), Departamento de Matemáticas, Escuela Politécnica Superior, Universidad Carlos III de Madrid, Avenida de la Universidad 30, E-28911, Leganés, Madrid, Spain.
  3. Departamento de Física Teórica de la Materia Condensada and Instituto de Ciencia de Materiales Nicolás Cabrera, Universidad Autónoma de Madrid, E-28049 Madrid, Spain.
  4. Departamento de Física, Universidad Autónoma Metropolitana-Iztapalapa, 09340, México, Distrito Federal, Mexico and Academia de Matemáticas, Universidad Autónoma de la Ciudad de México, 07160, México, D. F., Mexico.
  5. Area de Física de Procesos Irreversibles, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-Azcapotzalco, Av. San Pablo 180, 02200 México, D. F., Mexico. [email protected].

PMID: 26796794 DOI: 10.1039/c5cp05702g

Abstract

The effect of out-of-plane orientational freedom on the orientational ordering properties of a monolayer of hard ellipsoids is studied using the Parsons-Lee scaling approach and replica exchange Monte Carlo computer simulation. Prolate and oblate ellipsoids exhibit very different ordering properties, namely, the axes of revolution of prolate particles tend to lean out, while those of oblate ones prefer to lean into the confining plane. The driving mechanism of this is that the particles try to maximize the available free area on the confining surface, which can be achieved by minimizing the cross section areas of the particles with the plane. In the lack of out-of-plane orientational freedom the monolayer of prolate particles is identical to a two-dimensional hard ellipse system, which undergoes an isotropic-nematic ordering transition with increasing density. With gradually switching on the out-of-plane orientational freedom the prolate particles lean out from the confining plane and destabilisation of the in-plane isotropic-nematic phase transition is observed. The system of oblate particles behaves oppositely to that of prolates. It corresponds to a two-dimensional system of hard disks in the lack of out-of-plane freedom, while it behaves similar to that of hard ellipses in the freely rotating case. Solid phases can be realised by lower surface coverage due to the out-of-plane orientation freedom for both oblate and prolate shapes.

Publication Types