Testing experimental analysis techniques for liquid crystals using computer simulation

M A  Bates

doi:10.1080/02678290500354505

Testing experimental analysis techniques for liquid crystals using computer simulation

M A Bates

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

Computer simulation has been used widely over the last two decades to investigate the phase behaviour and physical properties of liquid crystal systems. Here we review studies in which simulations have been used to calculate information on the physical properties of liquid crystals in a pseudo-experimental way. We concentrate on the calculation of 'experimental data' from computer simulations, from which we can extract information on the structure and dynamics of the nematic and smectic A phases. Where relevant, these are compared with both existing theoretical and experimental results. In particular, routes between the raw experimental data and physical parameters such as the orientational order parameter are highlighted and their effectiveness investigated.

Original language	English
Pages (from-to)	1365-1377
Number of pages	13
Journal	LIQUID CRYSTALS
Volume	32
Issue number	11-12
DOIs	https://doi.org/10.1080/02678290500354505
Publication status	Published - Nov 2005

Keywords

NEMATISCHEN KRISTALLINFLUSSIGEN PHASE
MOLEKULAR-STATISTISCHE THEORIE
GAY-BERNE MESOGEN
X-RAY-SCATTERING
MOLECULAR-DYNAMICS
DIELECTRIC-RELAXATION
ANISOTROPIC SYSTEMS
DIFFUSION
PARAMETER

Access to Document

10.1080/02678290500354505

Cite this

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title = "Testing experimental analysis techniques for liquid crystals using computer simulation",

abstract = "Computer simulation has been used widely over the last two decades to investigate the phase behaviour and physical properties of liquid crystal systems. Here we review studies in which simulations have been used to calculate information on the physical properties of liquid crystals in a pseudo-experimental way. We concentrate on the calculation of 'experimental data' from computer simulations, from which we can extract information on the structure and dynamics of the nematic and smectic A phases. Where relevant, these are compared with both existing theoretical and experimental results. In particular, routes between the raw experimental data and physical parameters such as the orientational order parameter are highlighted and their effectiveness investigated.",

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author = "Bates, {M A}",

year = "2005",

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AU - Bates, M A

PY - 2005/11

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N2 - Computer simulation has been used widely over the last two decades to investigate the phase behaviour and physical properties of liquid crystal systems. Here we review studies in which simulations have been used to calculate information on the physical properties of liquid crystals in a pseudo-experimental way. We concentrate on the calculation of 'experimental data' from computer simulations, from which we can extract information on the structure and dynamics of the nematic and smectic A phases. Where relevant, these are compared with both existing theoretical and experimental results. In particular, routes between the raw experimental data and physical parameters such as the orientational order parameter are highlighted and their effectiveness investigated.

AB - Computer simulation has been used widely over the last two decades to investigate the phase behaviour and physical properties of liquid crystal systems. Here we review studies in which simulations have been used to calculate information on the physical properties of liquid crystals in a pseudo-experimental way. We concentrate on the calculation of 'experimental data' from computer simulations, from which we can extract information on the structure and dynamics of the nematic and smectic A phases. Where relevant, these are compared with both existing theoretical and experimental results. In particular, routes between the raw experimental data and physical parameters such as the orientational order parameter are highlighted and their effectiveness investigated.

KW - NEMATISCHEN KRISTALLINFLUSSIGEN PHASE

KW - MOLEKULAR-STATISTISCHE THEORIE

KW - GAY-BERNE MESOGEN

KW - X-RAY-SCATTERING

KW - MOLECULAR-DYNAMICS

KW - DIELECTRIC-RELAXATION

KW - ANISOTROPIC SYSTEMS

KW - DIFFUSION

KW - PARAMETER

U2 - 10.1080/02678290500354505

DO - 10.1080/02678290500354505

M3 - Article

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VL - 32

SP - 1365

EP - 1377

JO - LIQUID CRYSTALS

JF - LIQUID CRYSTALS

IS - 11-12

ER -