Parallel algorithms for solving linear equations using Givens transformations

AbstractThe use of the Givens method to solve linear equations on a parallel computer is reviewed, and a new algorithm which requires fewer time steps in the infinite processor case is presented

Magnetism in Closed-shell Quantum Dots: Emergence of Magnetic Bipolarons

Similar to atoms and nuclei, semiconductor quantum dots exhibit formation of shells. Predictions of magnetic behavior of the dots are often based on the shell occupancies. Thus, closed-shell quantum dots are assumed to be inherently nonmagnetic. Here, we propose a possibility of magnetism in such dots doped with magnetic impurities. On the example of the system of two interacting fermions, the simplest embodiment of the closed-shell structure, we demonstrate the emergence of a novel broken-symmetry ground state that is neither spin-singlet nor spin-triplet. We propose experimental tests of our predictions and the magnetic-dot structures to perform them.Comment: 4 pages, 4 figures; http://link.aps.org/doi/10.1103/PhysRevLett.106.177201; minor change

Modified Spatio-Temporal Matched Filtering for Brain Responses Classification

In this article, we apply the method of spatio-temporal filtering (STF) to electroencephalographic (EEG) data processing for brain responses classification. The method operates similarly to linear discriminant analysis (LDA) but contrary to most applied classifiers, it uses the whole recorded EEG signal as a source of information instead of the precisely selected brain responses, only. This way it avoids the limitations of LDA and improves the classification accuracy. We emphasize the significance of the STF learning phase. To preclude the negative influence of super–Gaussian artifacts on accomplishment of this phase, we apply the discrete cosine transform (DCT) based method for their rejection. Later, we estimate the noise covariance matrix using all data available, and we improve the STF template construction. The further modifications are related with the constructed filters operation and consist in the changes of the STF interpretation rules. Consequently, a new tool for evoked potentials (EPs) classification has been developed. Applied to the analysis of signals stored in a publicly available database, prepared for the assessment of modern algorithms aimed in EPs detection (in the frames of the 2019 IFMBE Scientific Challenge), it allowed to achieve the second best result, very close to the best one, and significantly better than the ones achieved by other contestants of the challeng

Spatial Distribution of Petroleum Hydrocarbons in Sediment Cores from Blind Pass, St. Pete Beach, Florida

One hundred and one sediment cores were collected to characterize the spatial distribution of petroleum hydrocarbons within and just outside Blind Pass, St. Pete Beach, Florida. Twenty-five percent of the cores exhibited levels of petroleum hydrocarbons above detection limits of the gas chromatograph/flame ionization detector (GC/FID) (0.01 mg/Kg), but at generally low concentrations. Petroleum hydrocarbon speciation studies of these samples (gas chromatography/mass spectroscopy [GC/MS]) indicate above-detection level (1 μg/Kg) petroleum hydrocarbons are similar to the non-volatile petroleum hydrocarbons found in a Bouchard 155 reference sample collected after the 1993 oil spill in the area, but are in a much degraded and weathered state. Individual petroleum hydrocarbons were, in all but one case, below the threshold effective level (TEL) described in the literature (MacDonald, 1994). The petroleum hydrocarbons were primarily found at 100-300 cm depth in Blind Pass cores. Above-detection level petroleum hydrocarbons were generally found in samples from cores in the center of the channel, near the edges of the shoal, and just outside of Blind Pass. A second mixture of hydrocarbons, primarily phthalates, ketones, and ether, was found at relatively shallow core depths (0-99 cm) in the Mid- and North End Channel cores. These suggest a separate source of contamination, possibly storm water runoff. The fuel fluorescence detector (FFD) probe was investigated for its ability to detect petroleum hydrocarbons in marine sediments. When analyzed with the FFD, all sediments from the cores produced peaks of fluorescence, but none above the background levels of Blind Pass native sediments. All but two samples analyzed by GC/FID were below the detection limits (100 ppm) of the FFD. These samples were found in dark-colored sediments. The combination of the detection limits of the instrument, sediment color, and the degraded nature of the heavier weight petroleum hydrocarbons may have resulted in fluorescence outputs below background levels. These studies demonstrate that the distribution of petroleum hydrocarbons within Blind Pass sediments is generally low and patchy. However, 25% of the cores exhibited levels above detection using GC/FID/MS. These cores could be subjected to individual speciation studies which indicate generally below TEL levels and an association of some, but not all, with the 1993 oil spill in Blind Pass. Appendix A provides photographs and tables for sediment subsamples which exhibited total petroleum hydrocarbon concentrations above detection limits, while Appendix B presents the results from fuel fluorescence detector probe analyses. A discussion of the results of the study in relation to sediment quality guidelines and soil cleanup target level guidance documents is included as Appendix C. Some preliminary results using the above techniques on core samples from the nearby John’s Pass are presented in Appendix D

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

We describe a global optimization technique using `basin-hopping' in which the potential energy surface is transformed into a collection of interpenetrating staircases. This method has been designed to exploit the features which recent work suggests must be present in an energy landscape for efficient relaxation to the global minimum. The transformation associates any point in configuration space with the local minimum obtained by a geometry optimization started from that point, effectively removing transition state regions from the problem. However, unlike other methods based upon hypersurface deformation, this transformation does not change the global minimum. The lowest known structures are located for all Lennard-Jones clusters up to 110 atoms, including a number that have never been found before in unbiased searches.Comment: 8 pages, 3 figures, revte

In situ redox reactions facilitate the assembly of a mixed-valence metal-organic nanocapsule

C-alkylpyrogallol[4]arenes (PgCs) have been studied for their ability to form metal-organic nanocapsules (MONCs) through coordination to appropriate metal ions. Here we present the synthesis and characterization of an MnII/MnIII-seamed MONC in addition to its electrochemical and magnetic behavior. This MONC assembles from 24 manganese ions and 6 PgCs, while an additional metal ion is located on the capsule interior, anchored through the introduction of bridging nitrite ions. The latter originate from an in situ redox reaction that occurs during the self-assembly process, thus representing a new route to otherwise unobtainable nanocapsules