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Molecular dynamics simulations of diblock copolymers under shear

Posted on:2006-01-06Degree:Ph.DType:Dissertation
University:The University of Western Ontario (Canada)Candidate:Fraser, Blair DFull Text:PDF
GTID:1451390005498923Subject:Physics
Abstract/Summary:
In recent years, understanding block copolymer systems has become a topic of great interest to materials scientists. Traditional applications of diblock copolymers take advantage of the exotic mechanical properties these materials are known to display. More recent applications of block copolymers typically come in the field of nano-fabrication where they are used to self-assemble detail on a nano-scale. Today the equilibrium properties of block copolymers have been extensively studied. However, the complex behavior these materials display in out of equilibrium conditions is poorly understood.;Using molecular dynamics simulations, we address some of the behavior of diblock copolymers in equilibrium conditions, as well as under shear. We give a discussion of the phonon spectrum of the cylindrical phase, showing that three body interactions between cylinders are significant. Molecular dynamics is also used to obtain results which shed light on the lamellar phase reorientation under shear.
Keywords/Search Tags:Molecular dynamics, Diblock copolymers
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