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Macromolecular Theory and Simulations, ISSN 1022-1344, 01/2019, Volume 28, Issue 1, p. 1800040
Journal Article
Chemical Physics, ISSN 0301-0104, 05/2012, Volume 400, pp. 51 - 58
Journal Article
Polymer, ISSN 0032-3861, 2012, Volume 53, Issue 2, pp. 634 - 639
We present a modified Gay–Berne (GB) potential, in which the attraction force can be tuned by adjusting one parameter only. An attractive parameter Ps is... 
Liquid crystal | Molecular dynamics | Gay–Berne potential | Gay-Berne potential | POLYMER SCIENCE | BEHAVIOR | POLYMER | PHASE-DIAGRAM | FLEXIBLE MOLECULES | NANOCHANNELS | PROGRAM | MELTS | Attraction | Computer simulation | Phase transformations | Mathematical models | Density | Liquid crystals | Strength
Journal Article
Molecular Crystals and Liquid Crystals, ISSN 1542-1406, 01/2008, Volume 480, Issue 1, pp. 202 - 218
We performed a molecular dynamics simulation using the dipolar Gay-Berne model to investigate dynamic properties in nematic and isotropic phases. The Gay-Berne... 
rotational motion | molecular dynamics | translational motion | dipolar Gay-Berne | Molecular dynamics | Dipolar Gay-Berne | Translational motion | Rotational motion | MESOPHASE FORMATION | FIELD | CRYSTALLOGRAPHY | HARD SPHEROCYLINDERS | ORIENTATIONAL ORDER | FLUID | PHASE-BEHAVIOR | COMPUTER-SIMULATION | ANISOTROPIC SYSTEMS | MONTE-CARLO SIMULATIONS | NEMATIC LIQUID-CRYSTALS
Journal Article
Molecular Physics, ISSN 0026-8976, 09/2006, Volume 104, Issue 18, pp. 2919 - 2927
We report a computer simulation study of systems of perfectly aligned molecules interacting through the Gay-Berne (GB) potential model for two different values... 
External field | Gay-Berne model | Computer simulation | Liquid crystals | BEHAVIOR | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MESOGEN | HARD SPHEROCYLINDERS | PERTURBATION-THEORY | PARALLEL SPHEROCYLINDERS | EXTERNAL-FIELD | external field | computer simulation | COMPUTER-SIMULATION | ANISOTROPIC SYSTEMS | liquid crystals | PHASE-DIAGRAM
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 02/1998, Volume 108, Issue 5, pp. 2117 - 2133
We have developed a new Corner potential suitable for computer simulation studies of pure and mixture systems composed of rodlike, disklike, and spherical... 
TRANSITION | NEMATOGEN | GAY-BERNE MODEL | SPHEROCYLINDERS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SURFACE | MESOGEN | ANISOTROPIC SYSTEMS | HARD-CORE MODELS | PHASE-DIAGRAM | MOLECULES
Journal Article
Molecular Crystals and Liquid Crystals, ISSN 1542-1406, 01/2003, Volume 394, Issue 1, pp. 153 - 169
As an aid to understanding the mechanism for the field-induced alignment of the smectic A phase we have attempted to simulate this process for the Gay-Berne... 
Gay-Berne Mesogen | Field-induced Alignment | Computer Simulation | Quasi-dynamics | Smectic A | Field-induced alignment | Gay-Berne mesogen | Computer simulation | smectic A | LATTICE-DYNAMICS | MESOPHASES | computer simulation | ANISOTROPIC SYSTEMS | CRYSTALLOGRAPHY | MODEL | field-induced alignment | LIQUID-CRYSTAL | quasi-dynamics
Journal Article
中国科学:化学英文版, ISSN 1674-7291, 2015, Volume 58, Issue 4, pp. 694 - 707
Journal Article
by Xu, PJ and Tang, YY and Zhang, J and Zhang, ZB and Wang, K and Shao, Y and Shen, HJ and Mao, YC
ACTA PHYSICO-CHIMICA SINICA, ISSN 1000-6818, 08/2011, Volume 27, Issue 8, pp. 1839 - 1846
To obtain Gay-Berne (GB) parameters, we carried out Monte Carlo sampling of four reference configurations based on the Boltzmann distribution. After comparing... 
FLUIDS | Gay-Berne potential | Electric multipole potential | Radial distribution function | Coarse-grained model | CHEMISTRY, PHYSICAL | Molecular dynamics simulation | ELECTROSTATICS | POTENTIALS
Journal Article
Chinese Journal of Chemical Physics, ISSN 1674-0068, 04/2012, Volume 25, Issue 2, pp. 177 - 185
Using coarse-grained molecular dynamics simulations based on Gay-Berne potential model, we have simulated the cooling process of liquid n-butanol. A new set of... 
Gay-Berne potential | Coarse-grainedmolecular dynamics simulations | Glass formation | BEHAVIOR | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LIQUID-CRYSTAL | SUPERCOOLED LIQUIDS | POLYMER | COMPUTER-SIMULATION | ANISOTROPIC SYSTEMS | PARAMETRIZATION | TRANSITIONS | DIAGRAM | AMORPHOUS PHASES
Journal Article
Nihon Reoroji Gakkaishi, ISSN 0387-1533, 1998, Volume 26, Issue 1, pp. 35 - 39
Journal Article
NIHON REOROJI GAKKAISHI, ISSN 0387-1533, 1998, Volume 26, Issue 1, pp. 35 - 39
Numerical simulations of the steady shear flows of Gay-Berne (GB) fluids are carried out using the SLLOD algorithm. The full GB potential and the WCA-repulsive... 
nonequilibrium molecular dynamics | MECHANICS | POLYMER SCIENCE | DECANE | COMPUTER | Gay - Berne potential | SLLOD algorithm | RHEOLOGY | liquid crystalline molecules | steady shear flow | ALKANES
Journal Article
日本レオロジー学会誌, ISSN 0387-1533, 1998, Volume 26, Issue 1, pp. 35 - 39
Numerical simulations of the steady shear flows of Gay-Berne (GB) fluids are carried out using the SLLOD algorithm. The full GB potential and the WCA-repulsive... 
Steady shear flow | Nonequilibrium molecular dynamics | Gay-Berne potential | Liquid crystalline molecules | SLLOD algorithm
Journal Article
Journal of the Chemical Society - Faraday Transactions, ISSN 0956-5000, 1998, Volume 94, Issue 9, pp. 1229 - 1234
We have studied chiral induction in a nematic in contact with a chiral surface using computer simulations. Nematic and surface particles have been modelled... 
CHEMISTRY, PHYSICAL | LIQUID-CRYSTAL PHASES | GAY-BERNE MODEL | TWISTING POWER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
Phase Transitions, ISSN 0141-1594, 11/2011, Volume 84, Issue 11-12, pp. 1084 - 1097
The effects of quadrupole moments on the isotropic-nematic (IN) phase transitions are studied using the density-functional theory (DFT) for a Gay-Berne (GB)... 
density-functional theory | isotropic-nematic transition | integral equation theory | Gay-Berne potential | CRYSTALLINE PHASE-BEHAVIOR | PHYSICS, CONDENSED MATTER | PAIR-CORRELATION FUNCTIONS | CRYSTALLOGRAPHY | MODEL | LIQUID-CRYSTAL | MOLECULAR FLUIDS | ELONGATION | COMPUTER-SIMULATION | ANISOTROPIC SYSTEMS | DIAGRAM | EQUATION
Journal Article
1999
Results are presented from molecular dynamics simulations of binary liquid crystal mixtures using a generalisation of a well established Gay-Berne... 
Gay-Berne | Smectic | Phase behaviour | Binary
Dissertation
Molecular Physics, ISSN 0026-8976, 04/2014, Volume 112, Issue 8, pp. 1149 - 1159
Phase diagrams for Gay-Berne (GB) fluids were obtained from molecular dynamics simulations for GB(2, 5, 1, 2) (i.e. short mesogens) and GB(3, 5, 1, 2) (i.e.... 
Gay-Berne | phase diagram | confinement | liquid crystal | substrate | PHASE-TRANSITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MICROSCOPIC THEORY | DYNAMICS PROGRAM | FORCE MICROSCOPY | SURFACE | COMPUTER-SIMULATION | ANISOTROPIC SYSTEMS | ROUGH WALLS | MONTE-CARLO SIMULATIONS | FLEXIBLE MOLECULES | Fluid | Fluids | Confinement | Fluid dynamics | Fluid flow | Orientation | Stratification | Slabs | Anchoring
Journal Article
Soft Matter, ISSN 1744-683X, 4/2014, Volume 1, Issue 18, pp. 3171 - 3182
Journal Article
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