科研之友
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摘要
We have performed large-scale off-lattice computer simulations in a model system of swollen main-chain liquid-crystalline elastomers, constituted of weakly reticulated soft Gay-Berne chains, investigating both nematic and smectic morphologies. We present isostress Monte Carlo results for temperature-scan and stress-strain experiments, and connect to typical experimental observables, such as sample dimensions, specific heat, deuterium magnetic resonance spectra, and scattered X-ray patterns. We find that the results reproduce the main features of main-chain elastomers, e.g., a pronounced strain-alignment coupling and the existence of two (nematic-isotropic and smectic-nematic) order-disorder phase transitions. The nematic-isotropic transition in our system turns out to be weakly first-order.
- 出版日期2011
