44 research outputs found
Coherent Control of Isotope Separation in HD+ Photodissociation by Strong Fields
The photodissociation of the HD+ molecular ion in intense short- pulsed
linearly polarized laser fields is studied using a time- dependent wave-packet
approach where molecular rotation is fully included. We show that applying a
coherent superposition of the fundamental radiation with its second harmonic
can lead to asymmetries in the fragment angular distributions, with significant
differences between the hydrogen and deuterium distributions in the long
wavelength domain where the permanent dipole is most efficient. This effect is
used to induce an appreciable isotope separation.Comment: Physical Review Letters, 1995 (in press). 4 pages in revtex format, 3
uuencoded figures. Full postcript version available at:
http://chemphys.weizmann.ac.il/~charron/prl.ps or
ftp://scipion.ppm.u-psud.fr/coherent.control/prl.p
Shared Memory Pipelined Parareal
For the parallel-in-time integration method Parareal, pipelining can be used to hide some of the cost of the serial correction step and improve its efficiency. The paper introduces an OpenMP implementation of pipelined Parareal and compares it to a standard MPI-based variant. Both versions yield almost identical runtimes, but, depending on the compiler, the OpenMP variant consumes about 7% less energy and has a significantly smaller memory footprint. However, its higher implementation complexity might make it difficult to use in legacy codes and in combination with spatial parallelisation
Semiclassical ionization dynamics of the hydrogen molecular ion in an electric field of arbitrary orientation
Quasi-static models of barrier suppression have played a major role in our
understanding of the ionization of atoms and molecules in strong laser fields.
Despite their success, in the case of diatomic molecules these studies have so
far been restricted to fields aligned with the molecular axis. In this paper we
investigate the locations and heights of the potential barriers in the hydrogen
molecular ion in an electric field of arbitrary orientation. We find that the
barriers undergo bifurcations as the external field strength and direction are
varied. This phenomenon represents an unexpected level of intricacy even on
this most elementary level of the dynamics. We describe the dynamics of
tunnelling ionization through the barriers semiclassically and use our results
to shed new light on the success of a recent theory of molecular tunnelling
ionization as well as earlier theories that restrict the electric field to be
aligned with the molecular axis
Numerical simulation of skin transport using Parareal
In silico investigation of skin permeation is an important but also computationally demanding problem. To resolve all scales involved in full detail will not only require exascale computing capacities but also suitable parallel algorithms. This article investigates the applicability of the time-parallel Parareal algorithm to a brick and mortar setup, a precursory problem to skin permeation. The C++ library Lib4PrM implementing Parareal is combined with the UG4 simulation framework, which provides the spatial discretization and parallelization. The combination’s performance is studied with respect to convergence and speedup. It is confirmed that anisotropies in the domain and jumps in diffusion coefficients only have a minor impact on Parareal’s convergence. The influence of load imbalances in time due to differences in number of iterations required by the spatial solver as well as spatio-temporal weak scaling is discussed
Covalent enzyme coupling on cellulose acetate membranes for glucose sensor development
International audienceMethods for immobilizing glucose oxidase (GOx) on cellulose acetate (CA) membranes are compared. The optimal method involves covalent coupling of bovine serum albumin (BSA) to CA membrane and a subsequent reaction of the membrane with GOx, which has previously been activated with an excess of p-benzoquinone. This coupling procedure is fairly reproducible and allows the preparation of thin membranes (5-20 µm) showing high surface activities (1-3 U/cm2) which are stable over a period of 1-3 months. Electrochemical and radiolabeling experiments show that enzyme inactivation as a result of immobilization is negligible. A good correlation between surface activity of membranes and their GOx load is observed
Herbivory, Connectivity, and Ecosystem Resilience: Response of a Coral Reef to a Large-Scale Perturbation
Coral reefs world-wide are threatened by escalating local and global impacts, and some impacted reefs have shifted from coral dominance to a state dominated by macroalgae. Therefore, there is a growing need to understand the processes that affect the capacity of these ecosystems to return to coral dominance following disturbances, including those that prevent the establishment of persistent stands of macroalgae. Unlike many reefs in the Caribbean, over the last several decades, reefs around the Indo-Pacific island of Moorea, French Polynesia have consistently returned to coral dominance following major perturbations without shifting to a macroalgae-dominated state. Here, we present evidence of a rapid increase in populations of herbivorous fishes following the most recent perturbation, and show that grazing by these herbivores has prevented the establishment of macroalgae following near complete loss of coral on offshore reefs. Importantly, we found the positive response of herbivorous fishes to increased benthic primary productivity associated with coral loss was driven largely by parrotfishes that initially recruit to stable nursery habitat within the lagoons before moving to offshore reefs later in life. These results underscore the importance of connectivity between the lagoon and offshore reefs for preventing the establishment of macroalgae following disturbances, and indicate that protecting nearshore nursery habitat of herbivorous fishes is critical for maintaining reef resilience
An accurate nonuniform fourier transform for SPRITE magnetic resonance imaging data
A new algorithm is proposed for computing the discrete Fourier Transform (DFT) of purely phase encoded data acquired during Magnetic Resonance Imaging (MRI) experiments. These experiments use the SPRITE (Single Point Ramped Imaging with T-1 Enhancement) method and multiple-point acquisition, sampling data in a nonuniform manner that prohibits reconstruction by fast Fourier transform. The chirp z-transform algorithm of Rabiner, Schafer, and Rader can be combined with phase corrections to compute the DFT of this data to extremely high accuracy. This algorithm outperforms the interpolation methods that are traditionally used to process nonuniform data, both in terms of execution time and in terms of accuracy as compared to the DFT