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Simulating the Fluctuation-Induced Suppression of the Order-Disorder Transition in an Asymmetric Diblock Copolymer Melt

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dc.contributor.advisor Wickham, Robert
dc.contributor.author Roberts, Jeffrey
dc.date.accessioned 2018-08-30T16:13:02Z
dc.date.available 2018-08-30T16:13:02Z
dc.date.copyright 2018-08
dc.date.created 2018-08-21
dc.date.issued 2018-08-30
dc.identifier.uri http://hdl.handle.net/10214/14129
dc.description.abstract Mean-field theory predicts the phase behaviour of block copolymers with a great deal of success, however it systematically overestimates the order-disorder temperature (ODT) due to its inaccurate treatment of fluctuations in the disordered phase. We use Monte Carlo simulation to simulate a fluctuating melt of asymmetric diblock copolymers, and systematically investigate the suppression of the ODT as we decrease the invariant degree of polymerization, N̄, from 10⁶ to 10⁵. Using thermodynamic integration, we compare the ordered BCC sphere phase free energy to that of the disordered phase to locate the ODT. In the low-temperature regime of the disordered phase, we observe and characterize a disordered liquid of micelles that is stabilized by the inclusion of fluctuations in our simulation. We find that decreasing N̄ causes a suppression of the ODT that is in good agreement with a theory where fluctuations are incorporated on a single-mode Hartree level. en_US
dc.language.iso en en_US
dc.subject Diblock Copolymer en_US
dc.subject Monte Carlo en_US
dc.subject Order-Disorder Transition en_US
dc.subject Fluctuation en_US
dc.subject Micelle en_US
dc.subject Thermodynamic Integration en_US
dc.title Simulating the Fluctuation-Induced Suppression of the Order-Disorder Transition in an Asymmetric Diblock Copolymer Melt en_US
dc.type Thesis en_US
dc.degree.programme Biophysics en_US
dc.degree.name Master of Science en_US
dc.degree.department Department of Physics en_US
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