Liquid crystal nanodroplets in solution.

The aggregation of liquid crystal nanodroplets from a homogeneous solution is studied by molecular dynamics simulations. The liquid crystal particles are modeled as elongated ellipsoidal Gay-Berne particles while the solvent is modeled as spherical Lennard-Jones particles. Extending previous studies of Berardi et al. [J. Chem. Phys. 126, 044905 (2007)], we find that liquid crystal nanodroplets are not stable and that after sufficiently long times the nanodroplets always aggregate into a single large droplet. Results describing the droplet shape and orientation for different temperatures and shear rates are presented. The implementation of the Gay-Berne potential for biaxial ellipsoidal particles in a parallel molecular dynamics code is also briefly discussed.

[1]  Frank H. Stillinger,et al.  Rigorous Basis of the Frenkel-Band Theory of Association Equilibrium , 1963 .

[2]  B. Berne Modification of the overlap potential to mimic a linear site-site potential , 1981 .

[3]  Steve Plimpton,et al.  Fast parallel algorithms for short-range molecular dynamics , 1993 .

[4]  C. Zannoni,et al.  A generalized Gay-Berne intermolecular potential for biaxial particles , 1995 .

[5]  Lebowitz,et al.  Ellipsoid contact potential: Theory and relation to overlap potentials. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[6]  G. Chidichimo,et al.  Phase separation kinetics in mixtures of polymers and liquid crystals , 1998 .

[7]  F Müller-Plathe,et al.  Reversing the perturbation in nonequilibrium molecular dynamics: an easy way to calculate the shear viscosity of fluids. , 1999, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[8]  L. V. Natarajan,et al.  Holographic Polymer-Dispersed Liquid Crystals (H-PDLCs)1 , 2000 .

[9]  Takashi Kato Self-Assembly of Phase-Segregated Liquid Crystal Structures , 2002, Science.

[10]  G. Chidichimo,et al.  From nematic emulsions to polymer dispersed liquid crystals , 2002 .

[11]  S. Kelly,et al.  Liquid Crystals for Charge Transport, Luminescence, and Photonics , 2003 .

[12]  R Everaers,et al.  Interaction potentials for soft and hard ellipsoids. , 2003, Physical review. E, Statistical, nonlinear, and soft matter physics.

[13]  Guido Germano,et al.  Expressions for forces and torques in molecular simulations using rigid bodies , 2006, cond-mat/0608387.

[14]  Liquid crystal nanoparticles prepared as miniemulsions. , 2006, Langmuir : the ACS journal of surfaces and colloids.

[15]  Ralf Everaers,et al.  Analytical first derivatives of the RE-squared interaction potential , 2006, J. Comput. Phys..

[16]  C. Zannoni,et al.  A computer simulation study of the formation of liquid crystal nanodroplets from a homogeneous solution. , 2007, The Journal of chemical physics.

[17]  C. Zannoni,et al.  Field response and switching times in biaxial nematics. , 2008, The Journal of chemical physics.