64 research outputs found
Monte Carlo simulations of random copolymers at a selective interface
We investigate numerically using the bond--fluctuation model the adsorption
of a random AB--copolymer at the interface between two solvents. From our
results we infer several scaling relations: the radius of gyration of the
copolymer in the direction perpendicular to the interface () scales
with , the interfacial selectivity strength, as
where is the usual Flory exponent and
is the copolymer's length; furthermore the monomer density at the interface
scales as for small . We also determine numerically the
monomer densities in the two solvents and discuss their dependence on the
distance from the interface.Comment: Latex text file appended with figures.tar.g
Mean Area of Self-Avoiding Loops
The mean area of two-dimensional unpressurised vesicles, or self-avoiding
loops of fixed length , behaves for large as , while their
mean square radius of gyration behaves as . The amplitude ratio
is computed exactly and found to equal . The physics of the
pressurised case, both in the inflated and collapsed phases, may be usefully
related to that of a complex O(n) field theory coupled to a U(1) gauge field,
in the limit .Comment: 12 pages, plain TeX, (one TeX macro omission corrected
Topological effects in ring polymers: A computer simulation study
Unconcatenated, unknotted polymer rings in the melt are subject to strong
interactions with neighboring chains due to the presence of topological
constraints. We study this by computer simulation using the bond-fluctuation
algorithm for chains with up to N=512 statistical segments at a volume fraction
\Phi=0.5 and show that rings in the melt are more compact than gaussian chains.
A careful finite size analysis of the average ring size R \propto N^{\nu}
yields an exponent \nu \approx 0.39 \pm 0.03 in agreement with a Flory-like
argument for the topologica interactions. We show (using the same algorithm)
that the dynamics of molten rings is similar to that of linear chains of the
same mass, confirming recent experimental findings. The diffusion constant
varies effectively as D_{N} \propto N^{-1.22(3) and is slightly higher than
that of corresponding linear chains. For the ring sizes considered (up to 256
statistical segments) we find only one characteristic time scale \tau_{ee}
\propto N^{2.0(2); this is shown by the collapse of several mean-square
displacements and correlation functions onto corresponding master curves.
Because of the shrunken state of the chain, this scaling is not compatible with
simple Rouse motion. It applies for all sizes of ring studied and no sign of a
crossover to any entangled regime is found.Comment: 20 Pages,11 eps figures, Late
Noisy random resistor networks: renormalized field theory for the multifractal moments of the current distribution
We study the multifractal moments of the current distribution in randomly
diluted resistor networks near the percolation treshold. When an external
current is applied between to terminals and of the network, the
th multifractal moment scales as , where is the correlation length exponent of
the isotropic percolation universality class. By applying our concept of master
operators [Europhys. Lett. {\bf 51}, 539 (2000)] we calculate the family of
multifractal exponents for to two-loop order. We find
that our result is in good agreement with numerical data for three dimensions.Comment: 30 pages, 6 figure
Tensile Fracture of Welded Polymer Interfaces: Miscibility, Entanglements and Crazing
Large-scale molecular simulations are performed to investigate tensile
failure of polymer interfaces as a function of welding time . Changes in the
tensile stress, mode of failure and interfacial fracture energy are
correlated to changes in the interfacial entanglements as determined from
Primitive Path Analysis. Bulk polymers fail through craze formation, followed
by craze breakdown through chain scission. At small welded interfaces are
not strong enough to support craze formation and fail at small strains through
chain pullout at the interface. Once chains have formed an average of about one
entanglement across the interface, a stable craze is formed throughout the
sample. The failure stress of the craze rises with welding time and the mode of
craze breakdown changes from chain pullout to chain scission as the interface
approaches bulk strength. The interfacial fracture energy is calculated
by coupling the simulation results to a continuum fracture mechanics model. As
in experiment, increases as before saturating at the average
bulk fracture energy . As in previous simulations of shear strength,
saturation coincides with the recovery of the bulk entanglement density. Before
saturation, is proportional to the areal density of interfacial
entanglements. Immiscibiltiy limits interdiffusion and thus suppresses
entanglements at the interface. Even small degrees of immisciblity reduce
interfacial entanglements enough that failure occurs by chain pullout and
Multifractal properties of resistor diode percolation
Focusing on multifractal properties we investigate electric transport on
random resistor diode networks at the phase transition between the
non-percolating and the directed percolating phase. Building on first
principles such as symmetries and relevance we derive a field theoretic
Hamiltonian. Based on this Hamiltonian we determine the multifractal moments of
the current distribution that are governed by a family of critical exponents
. We calculate the family to two-loop order in a
diagrammatic perturbation calculation augmented by renormalization group
methods.Comment: 21 pages, 5 figures, to appear in Phys. Rev.
A shape tailored gold-conductive polymer nanocomposite as a transparent electrode with extraordinary insensitivity to volatile organic compounds (VOCs)
In this study, the transparent conducting polymer of poly (3,4-ethylenendioxythiophene): poly(styrene sulphonate) (PEDOT:PSS) was nanohybridized via inclusion of gold nanofillers including nanospheres (NSs) and nanorods (NRs). Such nanocomposite thin films offer not only more optimum conductivity than the pristine polymer but also excellent resistivity against volatile organic compounds (VOCs). Interestingly, such amazing properties are achieved in the diluted regimes of the nanofillers and depend on the characteristics of the interfacial region of the polymer and nanofillers, i.e. the aspect ratio of the latter component. Accordingly, a shape dependent response is made that is more desirable in case of using the Au nanorods with a much larger aspect ratio than their nanosphere counterparts. This transparent nanocomposite thin film with an optimized conductivity and very low sensitivity to organic gases is undoubtedly a promising candidate material for the touch screen panel production industry. Considering PEDOT as a known material for integrated electrodes in energy saving applications, we believe that our strategy might be an important progress in the field.Peer reviewe
Where do polymer adhesives fail?
We use molecular-dynamics simulations of a polymer film confined between
two walls to isolate the factors that control where an adhesive bond
breaks.
Failure occurs either at the wall/film interface (adhesive failure) or
within the film (cohesive failure).
Most theories relate the location of failure to
equilibrium interfacial free energies.
However, we find
that the location of failure coincides with the region of lowest initial
yield stress and cannot be predicted from equilibrium interfacial free
energies
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