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Molecular Simulation Volume 7, 1991 - Issue 5-6
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Original Articles

A Molecular Simulation of A Liquid-crystal Model

Bulk and Confined Fluid

Manoj K. Chalam Cornell School of Chemical Engineering, Univeristy, Ithaca, New York, 14853, USA
,
Keith E. Gubbins Cornell School of Chemical Engineering, Univeristy, Ithaca, New York, 14853, USA
,
Enrique De Miguel Deaprtmento di Fisica Atomica, Molecular y Nuclear, Universidad de Sevilla, Aptdo. 1065, Sevilla, 41080, Spain
&
Luis F. Rull Deaprtmento di Fisica Atomica, Molecular y Nuclear, Universidad de Sevilla, Aptdo. 1065, Sevilla, 41080, Spain
Pages 357-385 | Received 01 Apr 1991, Accepted 01 Apr 1991, Published online: 23 Sep 2006

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J. M. Romero-Enrique. (2023) Orientational transition in nanobridges of nematic liquid crystals in slit pores. Liquid Crystals 50:7-10, pages 1215-1228.
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C. Chiccoli, L. R. Evangelista, E. K. Omori, P. Pasini, R. T. Teixeira-Souza & C. Zannoni. (2017) Computer simulation of a nematic hybrid cell: The effects of elastic anisotropy. Molecular Crystals and Liquid Crystals 649:1, pages 86-93.
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E. Cañeda-Guzmán, J.A. Moreno-Razo, E. Díaz-Herrera & E.J. Sambriski. (2014) Molecular aspect ratio and anchoring strength effects in a confined Gay–Berne liquid crystal. Molecular Physics 112:8, pages 1149-1159.
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Ahmet Yildirim, Erol Eroglu & Suleyman Yilmaz. (2011) Investigation of anisotropic thermal conductivity of uniaxial and biaxial Gay–Berne particles with molecular dynamics simulation. Molecular Simulation 37:14, pages 1179-1185.
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Ram Chandra Singh. (2006) Orientational Phase Transition of Long Elongated Gay–Berne Molecules. Molecular Crystals and Liquid Crystals 457:1, pages 67-82.
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ErichA. Müller, Inmaculada Rodríguez-Ponce†Abdelkrim Oualid, JoséM. Romero-Enrique & LuisF. Rull. (2003) Wetting of Planar Surfaces by a Gay-Berne Liquid Crystal. Molecular Simulation 29:6-7, pages 385-391.
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JACQUELINE QUINTANA, EUGENIA CORVERA POIRÉ, HECTOR DOMÍNGUEZ & JOSÉ ALEJANDRE. (2002) Phase equilibria of confined liquid crystals. Molecular Physics 100:16, pages 2597-2604.
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HECTOR DOMÍNGUEZ, ENRIQUE VELASCO & JOSÉ ALEJANDRE. (2002) Stress anisotropy in liquid crystalline phases. Molecular Physics 100:16, pages 2739-2744.
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PETERT. CUMMINGS, GEORGE JACKSON & JOHNS. ROWLINSON. (2002) Keith E. Gubbins: A celebration of statistical mechanics. Molecular Physics 100:13, pages 2003-2016.
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P. I. C. TEIXEIRA, A. CHRZANOWSKA, G.D. WALL & D.J. CLEAVER. (2001) Density functional theory of a Gay—Berne film between aligning walls. Molecular Physics 99:10, pages 889-897.
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MICHAELP. ALLEN. (1999) Molecular simulation and theory of liquid crystal surface anchoring. Molecular Physics 96:9, pages 1391-1397.
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Shoichi Kondo & Isamu Ono. (1998) Computer Simulation on Liquid Crystal Order in Cell with Alignment Surfaces. Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 318:1, pages 115-124.
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SERGEI YE. YAKOVENKO, ANATOLI A. MURAVSKI, FRANK EIKELSCHULTE & ALFONS GEIGER. (1998) Temperature dependence of the properties of simulated PCH5. Liquid Crystals 24:5, pages 657-671.
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THOMAS GRUHN & MARTIN SCHOEN. (1998) A grand canonical ensemble Monte Carlo study of confined planar and homeotropically anchored Gay-Berne films. Molecular Physics 93:4, pages 681-692.
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M. D. DE LUCA, M. K. GRIFFITHS, C. M. CARE & M. P. NEAL. (1994) Computer modelling of discotic liquid crystals†. International Journal of Electronics 77:6, pages 907-917.
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A.P.J. Emerson, G.R. Luckhurst & S.G. Whatling. (1994) Computer simulation studies of anisotropic systems. Molecular Physics 82:1, pages 113-124.
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P.I.C. Teixeira, V.M. Pergamenshchik & T.J. Sluckin. (1993) A model calculation of the surface elastic constants of a nematic liquid crystal. Molecular Physics 80:6, pages 1339-1357.
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Gaia Valeria Paolini, Giovanni Ciccotti & Mauro Ferrario. (1993) Simulation of site-site soft-core liquid crystal models. Molecular Physics 80:2, pages 297-312.
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DouglasJ. Cleaver & MichaelP. Allen. (1993) Computer simulation of liquid crystal films. Molecular Physics 80:2, pages 253-276.
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Ayushi Rastogi, Archana Mishra, Fanindra Pati Pandey, Rajiv Manohar & Avanish Singh Parmar. (2022) Enhancing physical characteristics of thermotropic nematic liquid crystals by dispersing in various nanoparticles and their potential applications. Emergent Materials 6:1, pages 101-136.
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Soudabe Nasirimoghadam, Mahmood Moradi & Roohollah Aliabadi. (2022) Biaxial planar nematic layered structures of highly confined prolate hard ellipsoids. Physica A: Statistical Mechanics and its Applications 598, pages 127371.
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Saeed Mehri, Jeppe C. Dyre & Trond S. Ingebrigtsen. (2022) Hidden scale invariance in the Gay-Berne model. Physical Review E 105:6.
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Jagroop Kaur & Debabrata Deb. (2021) Pressure-tensor method evaluation of the interfacial tension between Gay–Berne isotropic fluid and a smooth repulsive wall. Soft Matter 17:46, pages 10566-10579.
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Pallabi Kundu, Jayashree Saha & Pankaj Mishra. (2021) Long-range decay of pair correlations and nematic ordering in a two-dimensional system of Gay-Berne mesogens. Fluid Phase Equilibria 549, pages 113224.
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Luis F. Rull & José M. Romero-Enrique. (2017) Nanodrops of Discotic Liquid Crystals: A Monte Carlo Study. Langmuir 33:42, pages 11779-11787.
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Paul E. Brumby, Henricus H. Wensink, Andrew J. Haslam & George Jackson. (2017) Structure and Interfacial Tension of a Hard-Rod Fluid in Planar Confinement. Langmuir 33:42, pages 11754-11770.
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REZA KHORDAD, MEHRAN MOHEBBI, ABOLLA KESHAVARZI, AHMAD POOSTFORUSH & FARNAZ GHAJARI HAGHIGHI. (2012) THE STUDY OF GAY–BERNE FLUID: INTEGRAL EQUATIONS METHOD. International Journal of Modern Physics B 23:05, pages 753-769.
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Luis F. Rull, José M. Romero-Enrique & Erich A. Müller. (2007) Observation of Surface Nematization at the Solid−Liquid Crystal Interface via Molecular Simulation. The Journal of Physical Chemistry C 111:43, pages 15998-16005.
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Ram Chandra Singh. (2007) Temperature-dependent study of isotropic–nematic transition for a Gay–Berne fluid using density-functional theory. Journal of Physics: Condensed Matter 19:37, pages 376101.
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C M Care & D J Cleaver. (2005) Computer simulation of liquid crystals. Reports on Progress in Physics 68:11, pages 2665-2700.
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Agnieszka Chrzanowska. (2003) Application of Gaussian quadratures to density functional (df) theories of confined liquid crystals. Journal of Computational Physics 191:1, pages 265-281.
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Ram Chandra Singh & Jokhan Ram. (2003) Effects of molecular elongation on liquid crystalline phase behaviour: isotropic–nematic transition. Physica A: Statistical Mechanics and its Applications 326:1-2, pages 13-24.
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Szabolcs Varga, István Szalai, János Liszi & George Jackson. (2002) A study of orientational ordering in a fluid of dipolar Gay–Berne molecules using density-functional theory. The Journal of Chemical Physics 116:20, pages 9107-9119.
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Patrick B. Kohl & David L. Patrick. (2001) Chiral Symmetry Breaking in Interfacial Fluids of Achiral Molecules. The Journal of Physical Chemistry B 105:34, pages 8203-8211.
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E. Gwóźdź, K. Pasterny & A. Bródka. (2001) Planar anchoring of polar liquid crystal molecules in slit pore–molecular dynamics simulation study. Chemical Physics Letters 335:1-2, pages 71-76.
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