Work

Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate

Year: 2002

Type: article

Abstract: We consider a system where a spherical particle is suspended in a nematic liquid crystal confined between two walls. We calculate the liquid-crystal-mediated potential of mean force between the sphere and a substrate by means of Monte Carlo simulations. Three methods are used: a traditional Monte Carlo approach, umbrella sampling, and a novel technique that combines canonical expanded ensemble simulations with a recently proposed density-of-states formalism. The latter method offers advantages in that it facilitates good sampling of phase space without prior knowledge of the energy landscape of the system. The resulting potential of mean force, computed as a function of the normal distance between the sphere and a surface, suggests that the sphere is attracted to the surface, even in the absence of attractive molecular interactions.

Source: The Journal of Chemical Physics

DOI: 10.1063/1.1508365

Authors: Evelina B. Kim, Roland Faller, Qiliang Yan, Nicholas L. Abbott, Juan J. de Pablo

Institution: University of Wisconsin–Madison

Language: English

Topic: Liquid Crystal Research Advancements

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funders: National Science Foundation, Deutsche Forschungsgemeinschaft, Division of Materials Research

Award: MRSEC: Nanostructured Materials and Interfaces