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Self-assembled networks
Participating group members: Xinjiang Lü
Equilibrium polymers may, through intrinsic attractions or through
other molecules, undergo reversible branching or crosslinking to form
networks. The cytoskeleton, whose strong and and dynamic framework provides
structure, strength, and mobility to eukaryotic cells, is an example of
a self-assembled network. To better understand this and other examples,
we are running Monte Carlo simulations of the structures and phase
transitions of this class of material. The images show snapshots generated
from simulations in which the crosslink angle was restricted to 90
± 6
degrees (left) or to 31 ± degrees (right). Crosslink sites are shown in
blue; polymer chains are shown in red.
For more information, see here.
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Membrane vesicle
formation
Participating group members: David Zhao
Vesicles, or closed shell-like structures, are commonly formed from lipid
membranes. They are useful for encapsulating drugs and other products, for
targeted or time-released delivery. We are using a simple mechanical
representation of the membrane to calculate the free energy landscape of the
formation of vesicles from membrane fragments. |
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Simulation
snapshot of a large irregular vesicle |
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Equilibrium polymers
Participating group members: LaKedra Pam, Xinjiang Lü
A
range of systems, including proteins like f-actin and wormlike
micelles, exhibit reversible 1-dimensional association into
polymers or polymer-like structures. We have performed Monte
Carlo simulations using a simplified equilibrium polymer model
in which the strength of the associations and the rigidity of
the chains can be easily varied. Using this model, we can make
predictions about the conditions required for the nematic
orientational ordering of the chains and about chain length
distributions.
Simulation snapshot of an equilibrium polymer nematic phase,
with short chains highlighted in red to emphasize their lower
degree of ordering.
For more information, see here.
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