COMPUTER MODELING OF DISCOTIC LIQUID-CRYSTALS

The majority of liquid crystals are based on elongated molecules that form so-called calamitic phases. In the late 1970s liquid crystals bas ed on flat disc-shaped molecules were first synthesized. These molecul ar systems are known as discotics, and most exhibit two kinds of struc ture: nematic and columnar. An understanding of the molecular structur e and interaction potentials of these molecules allows us to gain insi ght into the alignment of discotic materials. We review here the use o f hard and soft potentials to undertake molecular dynamics and Monte C arlo simulations of discotics, with particular reference to the phases obtained from these models. We also discuss the possibility of using realistic models for specific liquid crystal systems.