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Equilibrium phases and domain growth kinetics of calamitic liquid crystals.
Phys Rev E
February 2022
School of Interdisciplinary Research, Indian Institute of Technology, Hauz Khas, New Delhi 110016, India.
The anisotropic shape of calamitic liquid crystal (LC) particles results in distinct values of energy when the nematogens are placed side by side or end to end. This anisotropy in energy which is governed by a parameter κ^{'} has deep consequences on equilibrium and nonequilibrium properties. Using the Gay-Berne (GB) model, which exhibits the nematic (Nm) as well as the low-temperature smectic (Sm) order, we undertake large-scale Monte Carlo and molecular dynamics simulations to probe the effect of κ^{'} on the equilibrium phase diagram and the nonequilibrium domain growth following a quench in the temperature T or coarsening.
View Article and Find Full Text PDFIsomorph Invariance of Higher-Order Structural Measures in Four Lennard-Jones Systems.
Molecules
March 2021
"Glass and Time", IMFUFA, Department of Science and Environment, Roskilde University, P.O. Box 260, DK-4000 Roskilde, Denmark.
In the condensed liquid phase, both single- and multicomponent Lennard-Jones (LJ) systems obey the "hidden-scale-invariance" symmetry to a good approximation. Defining an isomorph as a line of constant excess entropy in the thermodynamic phase diagram, the consequent approximate isomorph invariance of structure and dynamics in appropriate units is well documented. However, although all measures of the structure are predicted to be isomorph invariant, with few exceptions only the radial distribution function (RDF) has been investigated.
View Article and Find Full Text PDFSemiflexible Polymers Interacting With Planar Surfaces: Weak versus Strong Adsorption.
Polymers (Basel)
January 2020
Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 9, D-55128 Mainz, Germany.
Semiflexible polymers bound to planar substrates by a short-range surface potential are studied by Molecular Dynamics simulations to clarify the extent to which these chain molecules can be considered as strictly two-dimensional. Applying a coarse-grained bead-spring model, the chain length and stiffness κ as well as the strength of the adsorption potential ϵ w a l l are varied over a wide range. The excluded-volume (EV) interactions inherent in this model can also be "switched off" to provide a discretized version of the Kratky-Porod wormlike chain model.
View Article and Find Full Text PDFAccurate determination of the translational correlation function of two-dimensional solids.
Phys Rev E
December 2019
Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371, Singapore.
The identification of the different phases of a two-dimensional (2D) system, which might be solid, hexatic, or liquid, requires the accurate determination of the correlation function of the translational and bond-orientational order parameters. According to the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) theory, in the solid phase the translational correlation function decays algebraically, as a consequence of the Mermin-Wagner long-wavelength fluctuations. However, recent results have shown an exponential-like decay.
View Article and Find Full Text PDFImportance of many-body orientational correlations in the physical description of liquids.
Faraday Discuss
March 2015
Liquids are often assumed to be homogeneous and isotropic at any lengthscale and translationally invariant. The standard liquid-state theory is constructed on the basis of this picture and thus basically described in terms of the two-body density correlation. This picture is certainly valid at rather high temperatures, where a liquid is in a highly disordered state.
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