3,431 research outputs found
Radial distribution function of semiflexible polymers
We calculate the distribution function of the end--to--end distance of a
semiflexible polymer with large bending rigidity. This quantity is directly
observable in experiments on single semiflexible polymers (e.g., DNA, actin)
and relevant to their interpretation. It is also an important starting point
for analyzing the behavior of more complex systems such as networks and
solutions of semiflexible polymers. To estimate the validity of the obtained
analytical expressions, we also determine the distribution function numerically
using Monte Carlo simulation and find good quantitative agreement.Comment: RevTeX, 4 pages, 1 figure. Also available at
http://www.cip.physik.tu-muenchen.de/tumphy/d/T34/Mitarbeiter/frey.htm
A general theory of DNA-mediated and other valence-limited interactions
We present a general theory for predicting the interaction potentials between
DNA-coated colloids, and more broadly, any particles that interact via
valence-limited ligand-receptor binding. Our theory correctly incorporates the
configurational and combinatorial entropic factors that play a key role in
valence-limited interactions. By rigorously enforcing self-consistency, it
achieves near-quantitative accuracy with respect to detailed Monte Carlo
calculations. With suitable approximations and in particular geometries, our
theory reduces to previous successful treatments, which are now united in a
common and extensible framework. We expect our tools to be useful to other
researchers investigating ligand-mediated interactions. A complete and
well-documented Python implementation is freely available at
http://github.com/patvarilly/DNACC .Comment: 18 pages, 10 figure
Structure and dynamics of colloidal depletion gels: coincidence of transitions and heterogeneity
Transitions in structural heterogeneity of colloidal depletion gels formed
through short-range attractive interactions are correlated with their dynamical
arrest. The system is a density and refractive index matched suspension of 0.20
volume fraction poly(methyl methacyrlate) colloids with the non-adsorbing
depletant polystyrene added at a size ratio of depletant to colloid of 0.043.
As the strength of the short-range attractive interaction is increased,
clusters become increasingly structurally heterogeneous, as characterized by
number-density fluctuations, and dynamically immobilized, as characterized by
the single-particle mean-squared displacement. The number of free colloids in
the suspension also progressively declines. As an immobile cluster to gel
transition is traversed, structural heterogeneity abruptly decreases.
Simultaneously, the mean single-particle dynamics saturates at a localization
length on the order of the short-range attractive potential range. Both
immobile cluster and gel regimes show dynamical heterogeneity. Non-Gaussian
distributions of single particle displacements reveal enhanced populations of
dynamical trajectories localized on two different length scales. Similar
dependencies of number density fluctuations, free particle number and dynamical
length scales on the order of the range of short-range attraction suggests a
collective structural origin of dynamic heterogeneity in colloidal gels.Comment: 14 pages, 10 figure
Electronic Structure of Charge- and Spin-controlled Sr_{1-(x+y)}La_{x+y}Ti_{1-x}Cr_{x}O_{3}
We present the electronic structure of
Sr_{1-(x+y)}La_{x+y}Ti_{1-x}Cr_{x}O_{3} investigated by high-resolution
photoemission spectroscopy. In the vicinity of Fermi level, it was found that
the electronic structure were composed of a Cr 3d local state with the
t_{2g}^{3} configuration and a Ti 3d itinerant state. The energy levels of
these Cr and Ti 3d states are well interpreted by the difference of the
charge-transfer energy of both ions. The spectral weight of the Cr 3d state is
completely proportional to the spin concentration x irrespective of the carrier
concentration y, indicating that the spin density can be controlled by x as
desired. In contrast, the spectral weight of the Ti 3d state is not
proportional to y, depending on the amount of Cr doping.Comment: 4 pages, 3 figures. Accepted for publication in Phys. Rev. Let
Quadrupole Susceptibility and Elastic Softening due to a Vacancy in Silicon Crystal
We investigate the electronic states around a single vacancy in silicon
crystal by using the Green's function approach. The triply degenerate vacancy
states within the band gap are found to be extended over a large distance
from the vacancy site and contribute to the reciprocal
temperature dependence of the quadrupole susceptibility resulting in the
elastic softening at low temperture. The Curie constant of the quadrupole
susceptibility for the trigonal mode () is largely
enhanced as compared to that for the tetragonal mode ().
The obtained results are consistent with the recent ultrasonic experiments in
silicon crystal down to 20 mK. We also calculate the dipole and octupole
susceptibilities and find that the octupole susceptibilities are extremely
enhannced for a specific mode.Comment: 6 pages, with 5 figure
Hawaiian Kalo, Past and Future
The arrival of taro in the Hawaiian Islands, its significance in Hawaiian culture, and the decline in its production since the early to mid-1800s is discussed. The university's role in preserving Hawaiian taro varieties is described, along with recent taro breeding programs conducted by its scientists
Shapes of Semiflexible Polymers in Confined Spaces
We investigate the conformations of a semiflexible polymer confined to a
square box. Results of Monte Carlo simulations show the existence of a shape
transition when the persistence length of the polymer becomes comparable to the
dimensions of box. An order parameter is introduced to quantify this behavior.
A simple mean-field model is constructed to study the effect of the shape
transition on the effective persistence length of the polymer.Comment: 8 pages, 20 figure
A generalized theory of semiflexible polymers
DNA bending on length scales shorter than a persistence length plays an
integral role in the translation of genetic information from DNA to cellular
function. Quantitative experimental studies of these biological systems have
led to a renewed interest in the polymer mechanics relevant for describing the
conformational free energy of DNA bending induced by protein-DNA complexes.
Recent experimental results from DNA cyclization studies have cast doubt on the
applicability of the canonical semiflexible polymer theory, the wormlike chain
(WLC) model, to DNA bending on biological length scales. This paper develops a
theory of the chain statistics of a class of generalized semiflexible polymer
models. Our focus is on the theoretical development of these models and the
calculation of experimental observables. To illustrate our methods, we focus on
a specific toy model of DNA bending. We show that the WLC model generically
describes the long-length-scale chain statistics of semiflexible polymers, as
predicted by the Renormalization Group. In particular, we show that either the
WLC or our new model adequate describes force-extension, solution scattering,
and long-contour-length cyclization experiments, regardless of the details of
DNA bend elasticity. In contrast, experiments sensitive to short-length-scale
chain behavior can in principle reveal dramatic departures from the linear
elastic behavior assumed in the WLC model. We demonstrate this explicitly by
showing that our toy model can reproduce the anomalously large
short-contour-length cyclization J factors observed by Cloutier and Widom.
Finally, we discuss the applicability of these models to DNA chain statistics
in the context of future experiments
Renormalized one-loop theory of correlations in polymer blends
The renormalized one-loop theory is a coarse-grained theory of corrections to
the self-consistent field theory (SCFT) of polymer liquids, and to the random
phase approximation (RPA) theory of composition fluctuations. We present
predictions of corrections to the RPA for the structure function and to
the random walk model of single-chain statics in binary homopolymer blends. We
consider an apparent interaction parameter that is defined by
applying the RPA to the small limit of . The predicted deviation of
from its long chain limit is proportional to , where
is chain length. This deviation is positive (i.e., destabilizing) for weakly
non-ideal mixtures, with \chi_{a} N \alt 1, but negative (stabilizing) near
the critical point. The positive correction to for low values of
is a result of the fact that monomers in mixtures of shorter
chains are slightly less strongly shielded from intermolecular contacts. The
depression in near the critical point is a result of long-wavelength
composition fluctuations. The one-loop theory predicts a shift in the critical
temperature of , which is much greater than the predicted
width of the Ginzburg region. Chain dimensions deviate
slightly from those of a random walk even in a one-component melt, and contract
slightly with increasing . Predictions for and single-chain
properties are compared to published lattice Monte Carlo simulations.Comment: submitted to J. Chem. Phy
Consistent coarse-graining strategy for polymer solutions in the thermal crossover from Good to Theta solvent
We extend our previously developed coarse-graining strategy for linear
polymers with a tunable number n of effective atoms (blobs) per chain [D'Adamo
et al., J. Chem. Phys. 137, 4901 (2012)] to polymer systems in thermal
crossover between the good-solvent and the Theta regimes. We consider the
thermal crossover in the region in which tricritical effects can be neglected,
i.e. not too close to the Theta point, for a wide range of chain volume
fractions Phi=c/c* (c* is the overlap concentration), up to Phi=30. Scaling
crossover functions for global properties of the solution are obtained by
Monte-Carlo simulations of the Domb-Joyce model. They provide the input data to
develop a minimal coarse-grained model with four blobs per chain. As in the
good-solvent case, the coarse-grained model potentials are derived at zero
density, thus avoiding the inconsistencies related to the use of
state-dependent potentials. We find that the coarse-grained model reproduces
the properties of the underlying system up to some reduced density which
increases when lowering the temperature towards the Theta state. Close to the
lower-temperature crossover boundary, the tetramer model is accurate at least
up to Phi<10, while near the good-solvent regime reasonably accurate results
are obtained up to Phi<2. The density region in which the coarse-grained model
is predictive can be enlarged by developing coarse-grained models with more
blobs per chain. We extend the strategy used in the good-solvent case to the
crossover regime. This requires a proper treatment of the length rescalings as
before, but also a proper temperature redefinition as the number of blobs is
increased. The case n=10 is investigated. Comparison with full-monomer results
shows that the density region in which accurate predictions can be obtained is
significantly wider than that corresponding to the n=4 case.Comment: 21 pages, 14 figure
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