✦ LIBER ✦

Computer simulations of molecular motion in liquid crystals by the method of Brownian dynamics

✍ Scribed by Darinsky, A. ;Lyulin, A. ;Neelov, I.

Publisher: Wiley (John Wiley & Sons)
Year: 1993
Weight: 350 KB
Volume: 2
Category: Article
ISSN: 1018-5054
DOI: 10.1002/mats.1993.040020402

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

Computer simulations of the molecular motion of polymer chains in the presence of a strong nematic field were carried out by the method of Brownian dynamics. Two models were studied: the first model (linear liquid crystal) is a freely jointed chain with rigid bonds, the second model (comb‐like liquid crystal) is a chain with fixed bond angles and rigid side groups. The influence of ordering on chain conformations, orientational and translational mobility and spectra of relaxation times was investigated.

📜 SIMILAR VOLUMES

Activation Energies of Brownian Motion i

Activation Energies of Brownian Motion in Liquid Determinated by Luminescence Methods

✍ J. Głowacki 📂 Article 📅 1967 🏛 John Wiley and Sons 🌐 English ⚖ 102 KB 👁 2 views

Investigating the Calculation of Rotatio

Investigating the Calculation of Rotational Viscosity of the Mixture Comprising Different Kinds of Liquid Crystals: Molecular Dynamics Computer Simulation Approach

✍ Jinsoo Kim; Muhammad Jamil; Jae Eun Jung; Jae Eun Jang; Ahmad Farzana; Woo Lee J 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 111 KB

Dynamics of Colloidal Hard Spheres in Th

Dynamics of Colloidal Hard Spheres in Thin Aqueous Suspension Layers—Particle Tracking by Digital Image Processing and Brownian Dynamics Computer Simulations

✍ W. Schaertl; H. Sillescu 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 429 KB

A new experimentally simple technique is introduced for studying dynamical properties of hard sphere colloids in thin aqueous suspension layers by light-microscopy observation supported by computer-aided digital image processing. The thickness of the layers of the colloidal samples confined between

Molecular dynamics simulation of a polym

Molecular dynamics simulation of a polymer chain in solution by collisional dynamics method

✍ LEMAK, A. S.; BALABAEV, N. K. 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 834 KB

This article describes the collisional dynamics (CD) method adapted for molecules with geometrical constraints within a description using Cartesian coordinates for the atoms. In the CD method, stochastic collisions with virtual particles are included in usual molecular dynamics simulations to couple

Prediction of EPR Spectra of Liquid Crys

Prediction of EPR Spectra of Liquid Crystals with Doped Spin Probes from Fully Atomistic Molecular Dynamics Simulations: Exploring Molecular Order and Dynamics at the Phase Transition

✍ Egidisus Kuprusevicius; Dr. Ruth Edge; Dr. Hemant Gopee; Dr. Andrew N. Cammidge; 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 336 KB 👁 3 views

Model-free methods of analyzing domain m

Model-free methods of analyzing domain motions in proteins from simulation: A comparison of normal mode analysis and molecular dynamics simulation of lysozyme

✍ Steven Hayward; Akio Kitao; Herman J.C. Berendsen 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 185 KB 👁 3 views

Model-free methods are introduced to determine quantities pertaining to protein domain motions from normal mode analyses and molecular dynamics simulations. For the normal mode analysis, the methods are based on the assumption that in low frequency modes, domain motions can be well approximated by m