Journal
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
Volume 362, Issue 1821, Pages 1773-1781Publisher
ROYAL SOC LONDON
DOI: 10.1098/rsta.2004.1414
Keywords
rod-coil copolymer; liquid crystal; mesoscale simulation; dissipative particle dynamics
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Using mesoscale dissipative particle dynamics (DPD) simulations, which ignore all atomistic details, we show the formation of lamella mesophases by cooling a fully disordered system composed of symmetric (A(7)B(7)) rod-coil diblock copolymers. Equilibration is achieved very rapidly using DPD, and isotropic, smectic A and crystalline phases of the rod-like blocks can be observed either by heating or cooling. An interesting pseudo-smectic phase can be characterized when the order-disorder transition temperature is above the clearing temperature. This phase gradually fades into a normal microphase-separated structure as the system is heated through the clearing temperature. Simulations of pure rods, however, show the formation of isotropic, nematic, smectic A and crystalline phases.
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