15,768 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
An order (n) algorithm for the dynamics simulation of robotic systems
The formulation of an Order (n) algorithm for DISCOS (Dynamics Interaction Simulation of Controls and Structures), which is an industry-standard software package for simulation and analysis of flexible multibody systems is presented. For systems involving many bodies, the new Order (n) version of DISCOS is much faster than the current version. Results of the experimental validation of the dynamics software are also presented. The experiment is carried out on a seven-joint robot arm at NASA's Goddard Space Flight Center. The algorithm used in the current version of DISCOS requires the inverse of a matrix whose dimension is equal to the number of constraints in the system. Generally, the number of constraints in a system is roughly proportional to the number of bodies in the system, and matrix inversion requires O(p exp 3) operations, where p is the dimension of the matrix. The current version of DISCOS is therefore considered an Order (n exp 3) algorithm. In contrast, the Order (n) algorithm requires inversion of matrices which are small, and the number of matrices to be inverted increases only linearly with the number of bodies. The newly-developed Order (n) DISCOS is currently capable of handling chain and tree topologies as well as multiple closed loops. Continuing development will extend the capability of the software to deal with typical robotics applications such as put-and-place, multi-arm hand-off and surface sliding
Short to long-range charge-transfer excitations in the zincbacteriochlorin-bacteriochlorin complex: a Bethe-Salpeter study
We study using the Bethe-Salpeter formalism the excitation energies of the
zincbacteriochlorinbacteriochlorin dyad, a paradigmatic photosynthetic complex.
In great contrast with standard timedependent density functional theory
calculations with (semi)local kernels, charge transfer excitations are
correctly located above the intramolecular Q-bands transitions found to be in
excellent agreement with experiment. Further, the asymptotic Coulomb behavior
towards the true quasiparticle gap for charge transfer excitations at long
distance is correctly reproduced, showing that the present scheme allows to
study with the same accuracy intramolecular and charge transfer excitations at
various spatial range and screening environment without any adjustable
parameter.Comment: 5 pages, 2 figures, 1 tabl
The analytic structure of 2D Euler flow at short times
Using a very high precision spectral calculation applied to the
incompressible and inviscid flow with initial condition , we find that the width of its analyticity
strip follows a law at short times over eight decades. The
asymptotic equation governing the structure of spatial complex-space
singularities at short times (Frisch, Matsumoto and Bec 2003, J.Stat.Phys. 113,
761--781) is solved by a high-precision expansion method. Strong numerical
evidence is obtained that singularities have infinite vorticity and lie on a
complex manifold which is constructed explicitly as an envelope of analyticity
disks.Comment: 19 pages, 14 figures, published versio
An H-Theorem for the Lattice Boltzmann Approach to Hydrodynamics
The lattice Boltzmann equation can be viewed as a discretization of the
continuous Boltzmann equation. Because of this connection it has long been
speculated that lattice Boltzmann algorithms might obey an H-theorem. In this
letter we prove that usual nine-velocity models do not obey an H-theorem but
models that do obey an H-theorem can be constructed. We consider the general
conditions a lattice Boltzmann scheme must satisfy in order to obey an
H-theorem and show why on a lattice, unlike the continuous case, dynamics that
decrease an H-functional do not necessarily lead to a unique ground state.Comment: 6 pages, latex, no figures, accepted for publication in Europhys.
Let
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