28 research outputs found
Two-dimensional wetting with binary disorder: a numerical study of the loop statistics
We numerically study the wetting (adsorption) transition of a polymer chain
on a disordered substrate in 1+1 dimension.Following the Poland-Scheraga model
of DNA denaturation, we use a Fixman-Freire scheme for the entropy of loops.
This allows us to consider chain lengths of order to ,
with disorder realizations. Our study is based on the statistics of
loops between two contacts with the substrate, from which we define Binder-like
parameters: their crossings for various sizes allow a precise determination
of the critical temperature, and their finite size properties yields a
crossover exponent .We then analyse at
criticality the distribution of loop length in both regimes
and , as well as the finite-size properties of the contact
density and energy. Our conclusion is that the critical exponents for the
thermodynamics are the same as those of the pure case, except for strong
logarithmic corrections to scaling. The presence of these logarithmic
corrections in the thermodynamics is related to a disorder-dependent
logarithmic singularity that appears in the critical loop distribution in the
rescaled variable as .Comment: 12 pages, 13 figure
Roles of stiffness and excluded volume in DNA denaturation
The nature and the universal properties of DNA thermal denaturation are
investigated by Monte Carlo simulations. For suitable lattice models we
determine the exponent c describing the decay of the probability distribution
of denaturated loops of length l, . If excluded volume effects
are fully taken into account, c= 2.10(4) is consistent with a first order
transition. The stiffness of the double stranded chain has the effect of
sharpening the transition, if it is continuous, but not of changing its order
and the value of the exponent c, which is also robust with respect to inclusion
of specific base-pair sequence heterogeneities.Comment: RevTeX 4 Pages and 4 PostScript figures included. Final version as
publishe
A numerical approach to copolymers at selective interfaces
We consider a model of a random copolymer at a selective interface which
undergoes a localization/delocalization transition. In spite of the several
rigorous results available for this model, the theoretical characterization of
the phase transition has remained elusive and there is still no agreement about
several important issues, for example the behavior of the polymer near the
phase transition line. From a rigorous viewpoint non coinciding upper and lower
bounds on the critical line are known.
In this paper we combine numerical computations with rigorous arguments to
get to a better understanding of the phase diagram. Our main results include:
- Various numerical observations that suggest that the critical line lies
strictly in between the two bounds.
- A rigorous statistical test based on concentration inequalities and
super-additivity, for determining whether a given point of the phase diagram is
in the localized phase. This is applied in particular to show that, with a very
low level of error, the lower bound does not coincide with the critical line.
- An analysis of the precise asymptotic behavior of the partition function in
the delocalized phase, with particular attention to the effect of rare atypical
stretches in the disorder sequence and on whether or not in the delocalized
regime the polymer path has a Brownian scaling.
- A new proof of the lower bound on the critical line. This proof relies on a
characterization of the localized regime which is more appealing for
interpreting the numerical data.Comment: accepted for publication on J. Stat. Phy
Why is the DNA Denaturation Transition First Order?
We study a model for the denaturation transition of DNA in which the
molecules are considered as composed of a sequence of alternating bound
segments and denaturated loops. We take into account the excluded-volume
interactions between denaturated loops and the rest of the chain by exploiting
recent results on scaling properties of polymer networks of arbitrary topology.
The phase transition is found to be first order in d=2 dimensions and above, in
agreement with experiments and at variance with previous theoretical results,
in which only excluded-volume interactions within denaturated loops were taken
into account. Our results agree with recent numerical simulations.Comment: Revised version. To appear in Phys. Rev. Let
Scaling of Star Polymers with one to 80 Arms
We present large statistics simulations of 3-dimensional star polymers with
up to arms, and with up to 4000 monomers per arm for small values of
. They were done for the Domb-Joyce model on the simple cubic lattice. This
is a model with soft core exclusion which allows multiple occupancy of sites
but punishes each same-site pair of monomers with a Boltzmann factor . We
use this to allow all arms to be attached at the central site, and we use the
`magic' value to minimize corrections to scaling. The simulations are
made with a very efficient chain growth algorithm with resampling, PERM,
modified to allow simultaneous growth of all arms. This allows us to measure
not only the swelling (as observed from the center-to-end distances), but also
the partition sum. The latter gives very precise estimates of the critical
exponents . For completeness we made also extensive simulations of
linear (unbranched) polymers which give the best estimates for the exponent
.Comment: 7 pages, 7 figure
A Simple Model for the DNA Denaturation Transition
We study pairs of interacting self-avoiding walks on the 3d simple cubic
lattice. They have a common origin and are allowed to overlap only at the same
monomer position along the chain. The latter overlaps are indeed favored by an
energetic gain.
This is inspired by a model introduced long ago by Poland and Sheraga [J.
Chem. Phys. {\bf 45}, 1464 (1966)] for the denaturation transition in DNA
where, however, self avoidance was not fully taken into account. For both
models, there exists a temperature T_m above which the entropic advantage to
open up overcomes the energy gained by forming tightly bound two-stranded
structures.
Numerical simulations of our model indicate that the transition is of first
order (the energy density is discontinuous), but the analog of the surface
tension vanishes and the scaling laws near the transition point are exactly
those of a second order transition with crossover exponent \phi=1. Numerical
and exact analytic results show that the transition is second order in modified
models where the self-avoidance is partially or completely neglected.Comment: 29 pages, LaTeX, 20 postscript figure
Determination of the exponent gamma for SAWs on the two-dimensional Manhattan lattice
We present a high-statistics Monte Carlo determination of the exponent gamma
for self-avoiding walks on a Manhattan lattice in two dimensions. A
conservative estimate is \gamma \gtapprox 1.3425(3), in agreement with the
universal value 43/32 on regular lattices, but in conflict with predictions
from conformal field theory and with a recent estimate from exact enumerations.
We find strong corrections to scaling that seem to indicate the presence of a
non-analytic exponent Delta < 1. If we assume Delta = 11/16 we find gamma =
1.3436(3), where the error is purely statistical.Comment: 24 pages, LaTeX2e, 4 figure
A review of Monte Carlo simulations of polymers with PERM
In this review, we describe applications of the pruned-enriched Rosenbluth
method (PERM), a sequential Monte Carlo algorithm with resampling, to various
problems in polymer physics. PERM produces samples according to any given
prescribed weight distribution, by growing configurations step by step with
controlled bias, and correcting "bad" configurations by "population control".
The latter is implemented, in contrast to other population based algorithms
like e.g. genetic algorithms, by depth-first recursion which avoids storing all
members of the population at the same time in computer memory. The problems we
discuss all concern single polymers (with one exception), but under various
conditions: Homopolymers in good solvents and at the point, semi-stiff
polymers, polymers in confining geometries, stretched polymers undergoing a
forced globule-linear transition, star polymers, bottle brushes, lattice
animals as a model for randomly branched polymers, DNA melting, and finally --
as the only system at low temperatures, lattice heteropolymers as simple models
for protein folding. PERM is for some of these problems the method of choice,
but it can also fail. We discuss how to recognize when a result is reliable,
and we discuss also some types of bias that can be crucial in guiding the
growth into the right directions.Comment: 29 pages, 26 figures, to be published in J. Stat. Phys. (2011
Random walks and polymers in the presence of quenched disorder
After a general introduction to the field, we describe some recent results
concerning disorder effects on both `random walk models', where the random walk
is a dynamical process generated by local transition rules, and on `polymer
models', where each random walk trajectory representing the configuration of a
polymer chain is associated to a global Boltzmann weight. For random walk
models, we explain, on the specific examples of the Sinai model and of the trap
model, how disorder induces anomalous diffusion, aging behaviours and Golosov
localization, and how these properties can be understood via a strong disorder
renormalization approach. For polymer models, we discuss the critical
properties of various delocalization transitions involving random polymers. We
first summarize some recent progresses in the general theory of random critical
points : thermodynamic observables are not self-averaging at criticality
whenever disorder is relevant, and this lack of self-averaging is directly
related to the probability distribution of pseudo-critical temperatures
over the ensemble of samples of size . We describe the
results of this analysis for the bidimensional wetting and for the
Poland-Scheraga model of DNA denaturation.Comment: 17 pages, Conference Proceedings "Mathematics and Physics", I.H.E.S.,
France, November 200
Single-molecule experiments in biological physics: methods and applications
I review single-molecule experiments (SME) in biological physics. Recent
technological developments have provided the tools to design and build
scientific instruments of high enough sensitivity and precision to manipulate
and visualize individual molecules and measure microscopic forces. Using SME it
is possible to: manipulate molecules one at a time and measure distributions
describing molecular properties; characterize the kinetics of biomolecular
reactions and; detect molecular intermediates. SME provide the additional
information about thermodynamics and kinetics of biomolecular processes. This
complements information obtained in traditional bulk assays. In SME it is also
possible to measure small energies and detect large Brownian deviations in
biomolecular reactions, thereby offering new methods and systems to scrutinize
the basic foundations of statistical mechanics. This review is written at a
very introductory level emphasizing the importance of SME to scientists
interested in knowing the common playground of ideas and the interdisciplinary
topics accessible by these techniques. The review discusses SME from an
experimental perspective, first exposing the most common experimental
methodologies and later presenting various molecular systems where such
techniques have been applied. I briefly discuss experimental techniques such as
atomic-force microscopy (AFM), laser optical tweezers (LOT), magnetic tweezers
(MT), biomembrane force probe (BFP) and single-molecule fluorescence (SMF). I
then present several applications of SME to the study of nucleic acids (DNA,
RNA and DNA condensation), proteins (protein-protein interactions, protein
folding and molecular motors). Finally, I discuss applications of SME to the
study of the nonequilibrium thermodynamics of small systems and the
experimental verification of fluctuation theorems. I conclude with a discussion
of open questions and future perspectives.Comment: Latex, 60 pages, 12 figures, Topical Review for J. Phys. C (Cond.
Matt