Molecular Crystals and Liquid Crystals, Vol.545, 1414-1427, 2011
The Modeling with Free Boundary
In this work the results of modeling of the liquid crystals that have different types of the mesomorphism are presented. The simulation was done by the method of the molecular dynamics without setting boundary conditions, which is allowed for recording the liquid aggregate state.
Keywords:Arylpropargyl ethers of phenols;asymmetrically substituted 1,1 '-bis ferrocene;modeling with free boundary;nematic and smectic liquid crystal