Liquid Crystals and their Computer SimulationsCambridge University Press, 28 lug 2022 - 704 pagine "There are two main approaches to the theoretical study of liquid crystals: continuum and molecular. The first, well covered in various good books (e.g. those by Chandrasekhar [1992]; de Gennes and Prost [1993]; Virga [1994]; Kleman and Lavrentovich [2003]; Stewart [2004]; Oswald and Pieranski [2005, 2006]; Barbero and Evangelista [2006]) considers anisotropic systems at macroscopic level and typically deals with optical and elastic properties as well as with many practical electrooptical applications of liquid crystals. At continuum level, liquid crystals are assumed to exist and their properties (e.g. elastic constants and viscosities) to be known, insofar as they are needed to parameterize the relevant equations. Molecules, phase transitions and spectroscopic properties are not normally taken into consideration. In this line of work computer simulations typically refer to a determination of the preferred orientation (director) or of the ordering tensor field that minimize the elastic free energy under a variety of boundary conditions, while dynamics is normally related to the solution of hydrodynamics equations for anisotropic fluids. The other main line of investigation deals"-- |
Sommario
Phase Transitions | 61 |
Order Parameters | 107 |
Distributions | 174 |
ParticleParticle Interactions | 219 |
Dynamics and Dynamical Properties | 288 |
Molecular Theories | 332 |
Monte Carlo Methods | 359 |
The Molecular Dynamics Method | 379 |
Atomistic Simulations | 487 |
Appendix A A Modicum of Linear Algebra | 537 |
Taylor Series | 555 |
Appendix G Molecular and Mesophase Symmetry | 574 |
Appendix H Quaternions and Rotations | 587 |
Appendix K Stochastic Processes | 602 |
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alignment angle angular anisotropic atomistic atoms average axis behaviour Berardi biaxial bilayer bond calculated centre chains Chapter chiral cholesteric coefficients columnar columnar phase components computer simulations configuration consider correlation functions corresponding defined density dependence dipole director discotic distribution elastic constants ellipsoids entropy equation equilibrium Euler angles example experimental field Figure film fluid frame free energy interaction intermolecular isotropic isotropic phase lattice layer linear liquid crystals Luckhurst lyotropic magnetic matrix mesogens mesophase molecular organization molecules monomers nematic nematic phase normally obtained order parameters orientational order orthogonal pair potential particles perpendicular phase diagram phase transition polar polymer position properties quaternion rigid rotation rotation matrix sample second-rank Section shown in Fig smectic smectic phases spherical spin structure surface symmetry tensor transition temperature uniaxial values vector Wigner z-axis Zannoni