A bidimensnal (2D) thermotropic liquid crystal (LC) is vtigated wh Molecular Dynamics (MD) simulatns. The Gay-Berne mogen wh parameterizatn GB(3, 5, 2, 1) is ed to mol a lamic system. Spatial orientatn of the LC sampl is probed wh the nematic orr parameter: a sharp isotropic-smectic (I-Sm) transn is observed at lower prsur. At higher prsur, the I-Sm transn volv an termediate nematic phase. Topology of the orthobaric phase diagram for the 2D se differs om the 3D se two important rpects: 1) the nematic regn appears at lower temperatur and slightly lower nsi, and 2) the cril pot occurs at lower temperature and slightly higher nsy. The 2D lamic mol is ed to probe the stctural behavr of LC sampl unr strong nfement when eher planar or homeotropic anchorg prevails. Sampl subjected to circular, square, and triangular boundari are gradually oled to study how orientatnal orr emerg. Dependg on anchorg mo and nfg geometry, characteristic topologil fects emerge. Textur the systems are siar to those observed experiments and simulatns of lyotropic LCs.
Contents:
- STCTURE AND DYNAMICS OF A GAY-BERNE LIQUID CRYSTAL NFED CYLDRIL NANOPOR
- VISSI OF THE GAY-BERNE NEMATIC LIQUID CRYSTAL
- A BIDIMENSNAL GAY-BERNE CALAMIC FLUID: STCTURE AND PHASE BEHAVR BULK AND STRONGLY CONFED SYSTEMS
- SIMULATN OF MA CHA LIQUID CRYSTALLE POLYMERS G A GAY-BERNE/LENNARD-JON HYBRID MOL
- A MODIFIED GAY–BERNE MOL FOR LIQUID CRYSTAL MOLECULAR DYNAMICS SIMULATN
- STABILY OF SMECTIC PHAS THE GAY-BERNE MOL
- A MODIFIED GAY–BERNE MOL FOR LIQUID CRYSTAL MOLECULAR DYNAMICS SIMULATN
- DIFFN-DRIVEN ROTATN CHOLTERIC LIQUID CRYSTALS STUDIED G MOLECULAR DYNAMICS SIMULATN OF A MIXTURE OF THE GAY-BERNE FLUID AND THE LENNARD-JON FLUID
- DISSIPATIVE PARTICLE DYNAMICS THERMOSTAT: A NOVEL THERMOSTAT FOR MOLECULAR DYNAMICS SIMULATN OF LIQUID CRYSTALS WH GAY-BERNE POTENTIAL
- COMPUTER SIMULATN OF LIQUID CRYSTAL PHAS FORMED BY GAY-BERNE MOGENS
STCTURE AND DYNAMICS OF A GAY-BERNE LIQUID CRYSTAL NFED CYLDRIL NANOPOR
Gay-Berne liquid crystals nfed two cyldril nanopor wh different pore siz were studied by molecular dynamics simulatn. Their stcture and dynamics properti were obtaed and pared wh those of the bulk. Our data show that nfement chang the bulk isotropic-to-nematic tra … * liquid crystal gay berne *
Stcture and dynamics of a Gay-Berne liquid crystal nfed cyldril nanopor. Gay-Berne liquid crystals nfed two cyldril nanopor wh different pore siz were studied by molecular dynamics simulatn.
Vissi of the Gay-Berne nematic liquid crystal. Non-Newtonian rheologil properti of shearg nematic liquid crystal mol systems based on the Gay-Berne potential. Nonequilibrium-molecular-dynamics vtigatn of the prmectic behavr of the vissi of a Gay-Berne nematic liquid crystal.
Molecular dynamics simulatn of planar elongatnal flow a nematic liquid crystal based on the Gay-Berne potential.
VISSI OF THE GAY-BERNE NEMATIC LIQUID CRYSTAL
Vissi of the Gay-Berne nematic liquid crystal * liquid crystal gay berne *
Stabily of smectic phas the Gay-Berne mol.
The Gay-Berne (GB) mol [92] is ed here bee ptur salient mogenic featur and has a relatively low putatnal overhead. 4 ConclnBulk and nfed 2D sampl were explored for the Gay-Berne mogen wh parameterizatn GB(3, 5, 2, 1).
JM-R nceived the study, wrote the Gay-Berne simulatn , drafted ial versns of the mancript, and ordated the directn of the project. Reversible swchg of liquid crystalle orr perms synthis of homogeneo populatns of dipolar patchy microparticl. Gay JG, Berne BJ.
A BIDIMENSNAL GAY-BERNE CALAMIC FLUID: STCTURE AND PHASE BEHAVR BULK AND STRONGLY CONFED SYSTEMS
* liquid crystal gay berne *
The polymorphism of the chiral Gay-Berne fluid. Mophas formed by the Gay-Berne mol mogen. Monte Carlo simulatns on mophase formatn g dipolar Gay-Berne mol.
The Gay‐Berne mogen: a paradigm shift?
SIMULATN OF MA CHA LIQUID CRYSTALLE POLYMERS G A GAY-BERNE/LENNARD-JON HYBRID MOL
We prent a tailed puter simulatn study of the phase behavr of the Gay-Berne liquid crystal mol wh molecular anisotropy parameter kappa=4.4. Acrdg to prev vtigatns: (i) this mol exhibs isotropic (I), smectic-A (Sm-A), and smectic-B (Sm-B) phas at low prsur, wh … * liquid crystal gay berne *
Orrg clters of uniaxial anisotropic particl durg homogeneo nucleatn and growth.
Molecular aspect rat and anchorg strength effects a nfed Gay-Berne liquid crystal. Comparison of the momorphic behavur of 1:1 and 1:2 mixtur of charged Gay-Berne GB(4. Monte Carlo vtigatns of a Gay-Berne distic at nstant prsure.
A MODIFIED GAY–BERNE MOL FOR LIQUID CRYSTAL MOLECULAR DYNAMICS SIMULATN
The Gay-Berne (GB) mol has been proved to be highly succsful the simulatn of liquid crystal phas via both molecular dynamics (MD) and nonequilib * liquid crystal gay berne *
Stctur and phase transn a two-dimensnal system of Gay-Berne molecul. Simulatn of Gay-Berne liquid crystal molecul nfed to a plane.
STABILY OF SMECTIC PHAS THE GAY-BERNE MOL
Gay–Berne liquid crystals nfed two cyldril nanopor wh different pore siz were studied by molecular dynamics simulatn. Their stcture and dyn * liquid crystal gay berne *
Elastic properti of mon Gay-Berne nematogens om nsy of stat (DOS) simulatns. Liquid crystal phase diagram of the Gay-Berne fluid.
Effects of elongatn on the phase behavr of the Gay-Berne fluid.
Computer Simulatn of Liquid Crystal Phas Formed by Gay-Berne Mogens. Reexamg the phase diagram of the Gay-Berne fluid. The global phase diagram of the Gay-Berne mol.
A MODIFIED GAY–BERNE MOL FOR LIQUID CRYSTAL MOLECULAR DYNAMICS SIMULATN
Molecular dynamics simulatns are scribed for liquid crystal molecul posed of two Gay-Berne particl nnected by an eight-se Lennard-Jon alkyl cha * liquid crystal gay berne *
Molecular dynamics lculatn of elastic nstants Gay-Berne nematic liquid crystals. Computer simulatn study of the nematic-vapour terface the Gay-Berne mol.
Extensn and generalizatn of the Gay-Berne potential.
Interactns are reprented by an hybrid Gay-Berne/Lennard Jon (GB/LJ) potential which is particulary adapted the simulatn of anisotropic systems.
DIFFN-DRIVEN ROTATN CHOLTERIC LIQUID CRYSTALS STUDIED G MOLECULAR DYNAMICS SIMULATN OF A MIXTURE OF THE GAY-BERNE FLUID AND THE LENNARD-JON FLUID
Once this ccial and mandatory validatn step is done [16], Griff’s molecul n be Gay-Berne force field was wily ed and veloped recent s to simulate the transn phase, and dynamil behavr of liquid crystals (LCs) [17], [18], [19], [20], [21].
To simulate the LCP at the molecular level, a hybrid Gay-Berne/Lennard-Jon (GB/LJ) mol was veloped by Wilson et al.
DISSIPATIVE PARTICLE DYNAMICS THERMOSTAT: A NOVEL THERMOSTAT FOR MOLECULAR DYNAMICS SIMULATN OF LIQUID CRYSTALS WH GAY-BERNE POTENTIAL
Generalized gay-beme termolecular potential for biaxial particlChem. A gay berne potential for dissiar biaxial particlChem. Sarman et flow simulatns of smectic liquid crystals based on the gay-berne fluid and the soft sphere strg-fluidPhys.
Berardi et rlo vtigatns of a gay–berne liquid crystalJ. WilsonMolecular dynamics simulatns of flexible liquid crystal molecul g a gay-berne/lennard-jon molJ. Rights and ntentAbstractWe prent a modified Gay–Berne (GB) potential, which the attractn force n be tuned by adjtg one parameter only.
Recently, a Gay–Berne n-6 pair potential was proposed by Sgh et al. Sectn snippetsShifted Gay–Berne molBased on the Gay–Berne potential and WCA Gay–Berne potential, here, we troduce an attractive parameter Ps the Gay–Berne potential. The modified Gay–Berne potential is scribed by the followg equatn:V(u^1, u^2, r)=4ε(u^1, u^2, r^){[σ0r−σ(u^1, u^2, r^)+σf]12−Ps[σ0r−σ(u^1, u^2, r^)+σf]6}where σf=σ0(Ps1/6) is the shifted length of the repulsive re (It is the repulsive re when Ps = 1.
COMPUTER SIMULATN OF LIQUID CRYSTAL PHAS FORMED BY GAY-BERNE MOGENS
2 prents the snapshots of Gay–Berne system om molecular dynamic simulatn wh Ps = 1:2, 1. The snapshots of the nfiguratnsConclnsIn summary, a modified Gay–Berne potential, which the attractive part n be tuned by changg one parameter Ps is troduced.