We discuss a Dissipative Particle Dynamics (DPD) approach to simulate oligomers and polymeric chains with nematic mesophases. Definition of mesogenic units are discussed, based either on semi-rigid units with standard DPD beads interacting only via soft repulsive potentials and linked by harmonic springs or on corrected DPD potentials including an orienting term between adjacent couples of beads. In the first case oriented phases are presented for systems made of single free semi-rigid units and, as an example of main-chain flexible liquid crystal polymer, by three linked semi-rigid units. In the second case an example of switch- ing system is discussed, in the presence of an external potential.
Dissipative Particle Dynamics Approach to Nematic Polymers
POLIMENO, ANTONINO
2004
Abstract
We discuss a Dissipative Particle Dynamics (DPD) approach to simulate oligomers and polymeric chains with nematic mesophases. Definition of mesogenic units are discussed, based either on semi-rigid units with standard DPD beads interacting only via soft repulsive potentials and linked by harmonic springs or on corrected DPD potentials including an orienting term between adjacent couples of beads. In the first case oriented phases are presented for systems made of single free semi-rigid units and, as an example of main-chain flexible liquid crystal polymer, by three linked semi-rigid units. In the second case an example of switch- ing system is discussed, in the presence of an external potential.Pubblicazioni consigliate
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