Repositorio Atenea de la Facultad de Ciencias, UNAM >
Repositorio Ciencias >
FACULTAD DE CIENCIAS >
Ciencias >
Please use this identifier to cite or link to this item:
http://hdl.handle.net/11154/2524
|
Title: | Stress anisotropy in liquid crystalline phases |
Authors: | Dominguez, H Velasco, E Alejandre, JA |
Issue Date: | 2002 |
Abstract: | Monte Carlo simulations of bulk liquid crystals in the isotropic, nematic and smectic phases were performed. The simulations were carried out using different box shapes. The diagonal components of the pressure tensor were calculated to verify that the system is in mechanical equilibrium. For simulations in cubic boxes it was found that the three components of the pressure tensor had the same values in the isotropic and nematic phases but they were different in the smectic phase, i.e. the system seemed to be under anisotropic stress. NVT and NPT simulations in the smectic phase were performed by allowing the box sides to fluctuate independently in this case, the average diagonal components of the pressure tensor had the same value. Inaccurate calculation of the total pressure produces incorrect equilibrium boundaries in the phase diagram. Microphases and poorly defined layering can be found in simulations of smectic phases when they are performed on cubic boxes. Although the pressure anisotropy is relaxed out, the layering structure in smectic phases seems to depend on the initial configuration, regardless of the simulation method. |
URI: | http://hdl.handle.net/11154/2524 |
ISSN: | 0026-8976 |
Appears in Collections: | Ciencias
|
Files in This Item:
There are no files associated with this item.
|
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
|