16,492 research outputs found
Melt viscosities of lattice polymers using a Kramers potential treatment
Kramers relaxation times and relaxation times and
for the end-to-end distances and for center of mass diffusion are
calculated for dense systems of athermal lattice chains. is defined
from the response of the radius of gyration to a Kramers potential which
approximately describes the effect of a stationary shear flow. It is shown that
within an intermediate range of chain lengths N the relaxation times
and exhibit the same scaling with N, suggesting that N-dependent
melt-viscosities for non-entangled chains can be obtained from the Kramers
equilibrium concept.Comment: submitted to: Journal of Chemical Physic
Superhalogen and Superacid
A superhalogen and a corresponding Br{\o}nsted
superacid were designed and investigated on DFT and DLPNO-CCSD(T) levels of
theory. Calculated compounds have outstanding electron affinity and
deprotonation energy, respectively. We consider superacid
to be able to protonate molecular nitrogen. The
stability of these structures is discussed, while some of the previous
predictions concerning Br{\o}nsted superacids of record strength are doubted.Comment: 11 pages (main paper), 32 pages (supporting information), 10 figures,
10 tables, 62 reference
Polyethylene under tensile load: strain energy storage and breaking of linear and knotted alkanes probed by first-principles molecular dynamics calculations
The mechanical resistance of a polyethylene strand subject to tension and the
way its properties are affected by the presence of a knot is studied using
first-principles molecular dynamics calculations. The distribution of strain
energy for the knotted chains has a well-defined shape that is very different
from the one found in the linear case. The presence of a knot significantly
weakens the chain in which it is tied. Chain rupture invariably occurs just
outside the entrance to the knot, as is the case for a macroscopic rope.Comment: 8 pages, 11 figures, to appear on J. Chem. Phy
Performance characteristics of wind profiling radars
Doppler radars used to measure winds in the troposphere and lower stratosphere for weather analysis and forecasting are lower-sensitivity versions of mesosphere-stratosphere-troposphere radars widely used for research. The term wind profiler is used to denote these radars because measurements of vertical profiles of horizontal and vertical wind are their primary function. It is clear that wind profilers will be in widespread use within five years: procurement of a network of 30 wind profilers is underway. The Wave Propagation Laboratory (WPL) has operated a small research network of radar wind profilers in Colorado for about two and one-half years. The transmitted power and antenna aperture for these radars is given. Data archiving procedures have been in place for about one year, and this data base is used to evaluate the performance of the radars. One of the prime concerns of potential wind profilers users is how often and how long wind measurements are lacking at a given height. Since these outages constitute an important part of the performance of the wind profilers, they are calculated at three radar frequencies, 50-, 405-, and 915-MHz, (wavelengths of 6-, 0.74-, and 0.33-m) at monthly intervals to determine both the number of outages at each frequency and annual variations in outages
Electromagnetic Vacuum of Complex Media: Dipole Emission vs. Light Propagation, Vacuum Energy, and Local Field Factors
We offer a unified approach to several phenomena related to the
electromagnetic vacuum of a complex medium made of point electric dipoles. To
this aim, we apply the linear response theory to the computation of the
polarization field propagator and study the spectrum of vacuum fluctuations.
The physical distinction among the local density of states which enter the
spectra of light propagation, total dipole emission, coherent emission, total
vacuum energy and Schwinger-bulk energy is made clear. Analytical expressions
for the spectrum of dipole emission and for the vacuum energy are derived.
Their respective relations with the spectrum of external light and with the
Schwinger-bulk energy are found. The light spectrum and the Schwinger-bulk
energy are determined by the Dyson propagator. The emission spectrum and the
total vacuum energy are determined by the polarization propagator. An exact
relationship of proportionality between both propagators is found in terms of
local field factors. A study of the nature of stimulated emission from a single
dipole is carried out. Regarding coherent emission, it contains two components.
A direct one which is transferred radiatively and directly from the emitter
into the medium and whose spectrum is that of external light. And an indirect
one which is radiated by induced dipoles. The induction is mediated by one (and
only one) local field factor. Regarding the vacuum energy, we find that in
addition to the Schwinger-bulk energy the vacuum energy of an effective medium
contains local field contributions proportional to the resonant frequency and
to the spectral line-width.Comment: Typos fixed, journal ref. adde
Scaled Particle Theory for Hard Sphere Pairs. I. Mathematical Structure
We develop an extension of the original Reiss-Frisch-Lebowitz scaled particle
theory that can serve as a predictive method for the hard sphere pair
correlation function g(r). The reversible cavity creation work is analyzed both
for a single spherical cavity of arbitrary size, as well as for a pair of
identical such spherical cavities with variable center-to-center separation.
These quantities lead directly to prediction of g(r). Smooth connection
conditions have been identified between the small-cavity situation where the
work can be exactly and completely expressed in terms of g(r), and the
large-cavity regime where macroscopic properties become relevant. Closure
conditions emerge which produce a nonlinear integral equation that must be
satisfied by the pair correlation function. This integral equation has a
structure which straightforwardly generates a solution that is a power series
in density. The results of this series replicate the exact second and third
virial coefficients for the hard sphere system via the contact value of the
pair correlation function. The predicted fourth virial coefficient is
approximately 0.6 percent lower than the known exact value. Detailed numerical
analysis of the nonlinear integral equation has been deferred to the sequel
(following paper
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