Calculations are made of Cs3, &, 8Cs~/&zzt and the A-A stacking fault energy of a graphite crystal using Lennard-Jones potentials between atoms in different layer planes. An estimate is made of aC,,/ae,,. The values of Cs3 and the A-A stacking fault energy are in fair agreement with experiment, but
Calculation of elastic constants of nematic liquid crystals using an anisotropic lennard-jones potential
โ Scribed by D.A. Dunmur; W.H. Miller
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 459 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
Rclauve values for the torslonal elastwz constants of a model hquld crys~sl have been calculated usmg the quxwcontmuurn method of Nehrmg and Saupe. An amsolropic Lcnnard-Jones intermolecular potcnkd 1~1s been assumed The contra-butIons of 3ttr;lcWe and repulsive forces arc evaluated sepantcly. and theu depcndcnce on moleculx mlsotropy IS dcmonstrsted
๐ SIMILAR VOLUMES
Harmonic lattice dynamics is used to calculate the sound velocities in crystalline 7,7,8,8-tetracyanoquinodimethane at T = 0 K and zero pressure. The intermolecular potential energy is defined by the exp-6-l atom-atom summation method. This potential reproduces the observed crystal structure satisfa