All Outputs (5)

Rotational viscosities of Gay-Berne mesogens (2002)
Journal Article
Cuetos, A., Ilnytskyi, J., & Wilson, M. (2002). Rotational viscosities of Gay-Berne mesogens. Molecular Physics, 100(24), 3839-3845

Rotational viscosities gamma(1) are calculated for three Gay-Berne models for a wide range of state points in the nematic phase. There was a strong density dependence in the results, with gamma(1) increasing with increasing density. Away from the cle... Read More about Rotational viscosities of Gay-Berne mesogens.

Scaled chiral indices for ferroelectric liquid crystals (2002)
Journal Article
Solymosi, M., Low, R., Grayson, M., Neal, M., Wilson, M., & Earl, D. (2002). Scaled chiral indices for ferroelectric liquid crystals. Ferroelectrics, 277, 483-490

Chirality of optically active liquid crystal molecules has become an important research topic and the subject of a number of theoretical and experimental studies. We present here the results of the application of a newly developed scaling method of a... Read More about Scaled chiral indices for ferroelectric liquid crystals.

A domain decomposition molecular dynamics program for the simulation of flexible molecules of spherically-symmetrical and nonspherical sites. II. Extension to NVT and NPT ensembles (2002)
Journal Article
Ilnytskyi, J., & Wilson, M. (2002). A domain decomposition molecular dynamics program for the simulation of flexible molecules of spherically-symmetrical and nonspherical sites. II. Extension to NVT and NPT ensembles. Computer Physics Communications, 148(1), 43-58

We describe the algorithms for NVT and NPT-ensemble simulations developed within the parallel molecular dynamics program GBMOLDD. This program uses the domain decomposition algorithm and is targeted at large-scale simulations of molecular systems (pa... Read More about A domain decomposition molecular dynamics program for the simulation of flexible molecules of spherically-symmetrical and nonspherical sites. II. Extension to NVT and NPT ensembles.

Parametrization and validation of a force field for liquid-crystal forming molecules (2002)
Journal Article
Cheung, D., Clark, S., & Wilson, M. (2002). Parametrization and validation of a force field for liquid-crystal forming molecules. Physical review E: Statistical physics, plasmas, fluids, and related interdisciplinary topics, 65(5, Part 1), Article 051709. https://doi.org/10.1103/physreve.65.051709

Calculation of the rotational viscosity of a nematic liquid crystal. (2002)
Journal Article
Cheung, D., Clark, S., & Wilson, M. (2002). Calculation of the rotational viscosity of a nematic liquid crystal. Chemical Physics Letters, 356(1-2), 140-146. https://doi.org/10.1016/s0009-2614%2802%2900380-9

Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-(trans-4-n-pentylcyclohexyl)benzonitrile (PCH5) using a fully atomistic model. Simulation data has been obtained for a series of temperatures in the n... Read More about Calculation of the rotational viscosity of a nematic liquid crystal..