399 research outputs found
q-Breathers and the Fermi-Pasta-Ulam Problem
The Fermi-Pasta-Ulam (FPU) paradox consists of the nonequipartition of energy
among normal modes of a weakly anharmonic atomic chain model. In the harmonic
limit each normal mode corresponds to a periodic orbit in phase space and is
characterized by its wave number . We continue normal modes from the
harmonic limit into the FPU parameter regime and obtain persistence of these
periodic orbits, termed here -Breathers (QB). They are characterized by time
periodicity, exponential localization in the -space of normal modes and
linear stability up to a size-dependent threshold amplitude. Trajectories
computed in the original FPU setting are perturbations around these exact QB
solutions. The QB concept is applicable to other nonlinear lattices as well.Comment: 4 pages, 4 figure
Tail resonances of FPU q-breathers and their impact on the pathway to equipartition
Upon initial excitation of a few normal modes the energy distribution among
all modes of a nonlinear atomic chain (the Fermi-Pasta-Ulam model) exhibits
exponential localization on large time scales. At the same time resonant
anomalies (peaks) are observed in its weakly excited tail for long times
preceding equipartition. We observe a similar resonant tail structure also for
exact time-periodic Lyapunov orbits, coined q-breathers due to their
exponential localization in modal space. We give a simple explanation for this
structure in terms of superharmonic resonances. The resonance analysis agrees
very well with numerical results and has predictive power. We extend a
previously developed perturbation method, based essentially on a
Poincare-Lindstedt scheme, in order to account for these resonances, and in
order to treat more general model cases, including truncated Toda potentials.
Our results give qualitative and semiquantitative account for the superharmonic
resonances of q-breathers and natural packets
Escorted Free Energy Simulations: Improving Convergence by Reducing Dissipation
Nonequilibrium, ``fast switching'' estimates of equilibrium free energy
differences, Delta F, are often plagued by poor convergence due to dissipation.
We propose a method to improve these estimates by generating trajectories with
reduced dissipation. Introducing an artificial flow field that couples the
system coordinates to the external parameter driving the simulation, we derive
an identity for Delta F in terms of the resulting trajectories. When the flow
field effectively escorts the system along a near-equilibrium path, the free
energy estimate converges efficiently and accurately. We illustrate our method
on a model system, and discuss the general applicability of our approach.Comment: 4 pages, including 2 figures, accepted for publication in Phys Rev
Let
On the Spectrum of the Resonant Quantum Kicked Rotor
It is proven that none of the bands in the quasi-energy spectrum of the
Quantum Kicked Rotor is flat at any primitive resonance of any order.
Perturbative estimates of bandwidths at small kick strength are established for
the case of primitive resonances of prime order. Different bands scale with
different powers of the kick strength, due to degeneracies in the spectrum of
the free rotor.Comment: Description of related published work has been expanded in the
Introductio
Transport properties of one-dimensional Kronig-Penney models with correlated disorder
Transport properties of one-dimensional Kronig-Penney models with binary
correlated disorder are analyzed using an approach based on classical
Hamiltonian maps. In this method, extended states correspond to bound
trajectories in the phase space of a parametrically excited linear oscillator,
while the on site-potential of the original model is transformed to an external
force. We show that in this representation the two probe conductance takes a
simple geometrical form in terms of evolution areas in phase-space. We also
analyze the case of a general N-mer model.Comment: 16 pages in Latex, 12 Postscript figures include
Theory of localization and resonance phenomena in the quantum kicked rotor
We present an analytic theory of quantum interference and Anderson
localization in the quantum kicked rotor (QKR). The behavior of the system is
known to depend sensitively on the value of its effective Planck's constant
\he. We here show that for rational values of \he/(4\pi)=p/q, it bears
similarity to a disordered metallic ring of circumference and threaded by
an Aharonov-Bohm flux. Building on that correspondence, we obtain quantitative
results for the time--dependent behavior of the QKR kinetic energy, (this is an observable which sensitively probes the system's localization
properties). For values of smaller than the localization length , we
obtain scaling , where is
the quasi--energy level spacing on the ring. This scaling is indicative of a
long time dynamics that is neither localized nor diffusive. For larger values
, the functions saturates (up to exponentially
small corrections ), thus reflecting essentially localized
behavior.Comment: 27 pages, 3 figure
Stable Quantum Resonances in Atom Optics
A theory for stabilization of quantum resonances by a mechanism similar to
one leading to classical resonances in nonlinear systems is presented. It
explains recent surprising experimental results, obtained for cold Cesium atoms
when driven in the presence of gravity, and leads to further predictions. The
theory makes use of invariance properties of the system, that are similar to
those of solids, allowing for separation into independent kicked rotor
problems. The analysis relies on a fictitious classical limit where the small
parameter is {\em not} Planck's constant, but rather the detuning from the
frequency that is resonant in absence of gravity.Comment: 5 pages, 3 figure
Binding pathway of retinal to bacterio-opsin: a prediction by molecular dynamics simulations
Formation of bacteriorhodopsin (bR) from apoprotein and retinal has been studied experimentally, but the actual pathway, including the point of entry, is little understood. Molecular dynamics simulations provide a surprisingly clear prediction. A window between bR helices E and F in the transmembrane part of the protein can be identified as an entry point for retinal. Steered molecular dynamics, performed by applying a series of external forces in the range of 200–1000 pN over a period of 0.2 ns to retinal, allows one to extract this chromophore from bR once the Schiff base bond to Lys216 is cleaved. Extraction proceeds until the retinal tail forms a hydrogen bond network with Ala144, Met145, and Ser183 side groups lining the exit/entry window. The manipulation induces a distortion with a fitted root mean square deviation of coordinates (ignoring retinal, water, and hydrogen atoms) of less than 1.9 A by the time the retinal carbonyl reaches the protein surface. The forces needed to extract retinal are due to friction and do not indicate significant potential barriers. The simulations therefore suggest a pathway for the binding of retinal. Water molecules are found to play a crucial role in the binding process
Onset of Delocalization in Quasi-1D Waveguides with Correlated Surface Disorder
We present first analytical results on transport properties of many-mode
waveguides with rough surfaces having long-range correlations. We show that
propagation of waves through such waveguides reveals a quite unexpected
phenomena of a complete transparency for a subset of propagating modes. These
modes do not interact with each other and effectively can be described by the
theory of 1D transport with correlated disorder. We also found that with a
proper choice of model parameters one can arrange a perfect transparency of
waveguides inside a given window of energy of incoming waves. The results may
be important in view of experimental realizations of a selective transport in
application to both waveguides and electron/optic nanodevices.Comment: RevTex, 4 pages, no figures, few references are adde
Signum Function Method for Generation of Correlated Dichotomic Chains
We analyze the signum-generation method for creating random dichotomic
sequences with prescribed correlation properties. The method is based on a
binary mapping of the convolution of continuous random numbers with some
function originated from the Fourier transform of a binary correlator. The goal
of our study is to reveal conditions under which one can construct binary
sequences with a given pair correlator. Our results can be used in the
construction of superlattices and waveguides with selective transport
properties.Comment: 14 pages, 7 figure
- …