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Sample records for blidingia minima ulvales

  1. Exploring bacteria-induced growth and morphogenesis in the green macroalga order Ulvales (Chlorophyta).

    PubMed

    Wichard, Thomas

    2015-01-01

    Green macroalgae, such as Ulvales, lose their typical morphology completely when grown under axenic conditions or in the absence of the appropriate microbiome. As a result, slow growing aberrant phenotypes or even callus-like morphotypes are observed in Ulvales. The cross-kingdom interactions between marine algae and microorganisms are hence not only restricted by the exchange of macronutrients, including vitamins and nutrients, but also by infochemicals such as bacterial morphogenetic compounds. The latter are a fundamental trait mediating the mutualism within the chemosphere where the organisms interact with each other via compounds in their surroundings. Approximately 60 years ago, pilot studies demonstrated that certain bacteria promote growth, whereas other bacteria induce morphogenesis; this is particularly true for the order of Ulvales. However, only slow progress was made towards the underlying mechanism due to the complexity of, for example, algal cultivation techniques, and the lack of standardized experiments in the laboratory. A breakthrough in this research was the discovery of the morphogenetic compound thallusin, which was isolated from an epiphytic bacterium and induces normal germination restoring the foliaceous morphotypes of Monostroma. Owing to the low concentration, the purification and structure elucidation of highly biologically active morphogenetic compounds are still challenging. Recently, it was found that only the combination of two specific bacteria from the Rhodobacteraceae and Flavobacteriaceae can completely recover the growth and morphogenesis of axenic Ulva mutabilis cultures forming a symbiotic tripartite community by chemical communication. This review combines literature detailing evidences of bacteria-induced morphogenesis in Ulvales. A set of standardized experimental approaches is further proposed for the preparation of axenic algal tissues, bacteria isolation, co-cultivation experiments, and the analysis of the chemosphere.

  2. Collection of minima

    NASA Astrophysics Data System (ADS)

    Zasche, P.; Uhlar, R.; Kucakova, H.; Svoboda, P.

    2011-12-01

    We present CCD times of minima for selected eclipsing binaries. Besides our own data as obtained at various observatories, also the photometric surveys (ASAS, SuperWASP, NSVS), as well as space telescopes (COROT, OMC) were used. The discovery of pulsations in V887 Aql, SU Aqr and V389 Cas and eccentric orbit in KO Nor are announced.

  3. Microscopic observation of pyrenoids in Order Ulvales (Chlorophyta) collected from Qingdao coast

    NASA Astrophysics Data System (ADS)

    Teng, Linhong; Ding, Lanping; Lu, Qinqin

    2011-09-01

    Pyrenoids found in green algae Order Ulvales have taxonomical significance. Their morphology, microstructure, and the location and number in the cells have been widely used as identification criteria. As these traits can be affected by environmental conditions, it is necessary to look for other different characteristics. Here pyrenoids in several algae species collected along the Qingdao coast were studied for such purpose. The morphology and distribution of pyrenoids in the cells, as well as their change in different parts of the frond and at different times were studied with light microscope. The results are as follows. Pyrenoids appeared to be spherical or oval in observed Ulvales' algae cells. They were embedded in chloroplasts with the number of 1-3 per cell on average. The number of pyrenoids for Ulva pertusa could change drastically with continuing culture and could reach up to 10-20 per cell in late-growth stages. Generally, the pyrenoids in the marginal part were more observable than those in the central part for Ulva pertusa. In addition, the basal part of frond had more distinct pyrenoids with an average diameter of 2.42 μm for Enteromorpha linza. For some species the pyrenoids were difficult to be observed while dark treatment made them more distinguishable. The apoptosis rate of pyrenoids in different species varied under continuing dark treatment, which could be used to identify different species. Pyrenoids disappeared faster in E. linza than those in E. intestinalis.

  4. Energy landscapes and persistent minima

    SciTech Connect

    Carr, Joanne M.; Wales, David J.; Mazauric, Dorian; Cazals, Frédéric

    2016-02-07

    We consider a coarse-graining of high-dimensional potential energy landscapes based upon persistences, which correspond to lowest barrier heights to lower-energy minima. Persistences can be calculated efficiently for local minima in kinetic transition networks that are based on stationary points of the prevailing energy landscape. The networks studied here represent peptides, proteins, nucleic acids, an atomic cluster, and a glassy system. Minima with high persistence values are likely to represent some form of alternative structural morphology, which, if appreciably populated at the prevailing temperature, could compete with the global minimum (defined as infinitely persistent). Threshold values on persistences (and in some cases equilibrium occupation probabilities) have therefore been used in this work to select subsets of minima, which were then analysed to see how well they can represent features of the full network. Simplified disconnectivity graphs showing only the selected minima can convey the funnelling (including any multiple-funnel) characteristics of the corresponding full graphs. The effect of the choice of persistence threshold on the reduced disconnectivity graphs was considered for a system with a hierarchical, glassy landscape. Sets of persistent minima were also found to be useful in comparing networks for the same system sampled under different conditions, using minimum oriented spanning forests.

  5. A MOLECULAR PHYLOGENY OF ACROCHAETE AND OTHER ENDOPHYTIC GREEN ALGAE (ULVALES, CHLOROPHYTA)(1).

    PubMed

    Rinkel, Barbara E; Hayes, Paul; Gueidan, Cécile; Brodie, Juliet

    2012-08-01

    A molecular phylogeny was reconstructed from a culture collection of >150 isolates of epi-endophytic and endophytic green algae, based on nucleotide sequences of the plastid tufA and nuclear ITS2 loci. The cultures were isolated from a variety of algal hosts, notably the red algae Chondrus crispus, Mastocarpus stellatus, and Osmundea species, and the brown algae Chorda filum and Fucus serratus. The phylogeny revealed that in the Ulvales the majority of isolates fell into Acrochaete (Ulvellaceae), Ulva (Ulvaceae), Bolbocoleon (Bolbocoleaceae), and at least two unknown genera provisionally assigned to the Kornmanniaceae. Acrochaete was monophyletic. The genus was also more specious than previously described with 12 species, including up to six new species awaiting formal description. Isolates identified as Acrochaete repens, the type species of the genus, were polyphyletic. The remainder of the isolates were placed in the Ulotrichales. The results confirm that the endophytic habit supports a broad diversity of algal taxa and suggest that blade formation is a relatively recent innovation within the green algae.

  6. Ulva (Chlorophyta, Ulvales) Biodiversity in the North Adriatic Sea (Mediterranean, Italy): Cryptic Species and New Introductions.

    PubMed

    Wolf, Marion A; Sciuto, Katia; Andreoli, Carlo; Moro, Isabella

    2012-12-01

    Ulva Linnaeus (Ulvophyceae, Ulvales) is a genus of green algae widespread in different aquatic environments. Members of this genus show a very simple morphology and a certain degree of phenotypic plasticity, heavily influenced by environmental conditions, making difficult the delineation of species by morphological features alone. Most studies dealing with Ulva biodiversity in Mediterranean waters have been based only on morphological characters and a modern taxonomic revision of this genus in the Mediterranean is not available. We report here the results of an investigation on the diversity of Ulva in the North Adriatic Sea based on molecular analyses. Collections from three areas, two of which subject to intense shipping traffic, were examined, as well as historical collections of Ulva stored in the Herbarium Patavinum of the University of Padova, Italy. Molecular analyses based on partial sequences of the rbcL and tufA genes revealed the presence of six different species, often with overlapping morphologies: U. californica Wille, U. flexuosa Wulfen, U. rigida C. Agardh, U. compressa Linnaeus, U. pertusa Kjellman, and one probable new taxon. U. californica is a new record for the Mediterranean and U. pertusa is a new record for the Adriatic. Partial sequences obtained from historical collections show that most of the old specimens are referable to U. rigida. No specimens referable to the two alien species were found among the old herbarium specimens. The results indicate that the number of introduced seaweed species and their impact on Mediterranean communities have been underestimated, due to the difficulties in species identification of morphologically simple taxa as Ulva.

  7. Antileishmanial physalins from Physalis minima.

    PubMed

    Choudhary, M Iqbal; Yousaf, Sammer; Ahmed, Shakil; Yasmeen, Kauser

    2005-09-01

    Three new physalins (1-3) and a new withanolide 7 have been isolated from the whole plant of Physalis minima, along with three known physalins: physalin H (4), isophysalin B (5), and 5beta,6beta-epoxyphysalin B (6). Their structures were deduced on the basis of in-depth spectroscopic analyses. Compounds 1-6 showed significant in vitro leishmanicidal activities (0.92-19.4 microg/ml) against promastigotes of Leishmania major.

  8. Recent Minima of 171 Eclipsing Binary Stars

    NASA Astrophysics Data System (ADS)

    Samolyk, G.

    2015-12-01

    This paper continues the publication of times of minima for 171 eclipsing binary stars from observations reported to the AAVSO EB section. Times of minima from observations received by the author from March 2015 thru October 2015 are presented.

  9. Franck-Condon breakdown from Cooper minima.

    NASA Astrophysics Data System (ADS)

    Rao, R. M.; Poliakoff, E. D.; Wang, K.; McKoy, V.

    1996-05-01

    We report Cooper minima-induced Franck-Condon breakdown for N2 2σ_u-1 photoionization. The measurements are over an extended energy range (230 eV), and we find that the v^+= 2/v^+= 0 and v^+= 1/v^+= 0 vibrational branching ratios vary strongly over a 100 eV range. This is a dramatic deviation from Franck-Condon predictions, and calculations show that this coupling between vibrational and electronic motion arises from a dependence of Cooper minima on molecular bond length. To our knowledge, this is the only example of a broad-range Franck-Condon breakdown due to a non-resonant mechanism, and is the broadest deviation from Franck-Condon behavior observed to date. The ubiquitous nature of Cooper minima suggests this effect to be common in molecular systems.

  10. Cloud supersaturations from CCN spectra Hoppel minima

    NASA Astrophysics Data System (ADS)

    Hudson, James G.; Noble, Stephen; Tabor, Samantha

    2015-04-01

    High-resolution cloud condensation nucleus (CCN) spectral measurements in two aircraft field projects, Marine Stratus/Stratocumulus Experiment (MASE) and Ice in Clouds Experiment-Tropical (ICE-T), often showed bimodality that had previously been observed in submicrometer aerosol size distributions obtained by differential mobility analyzers. However, a great deal of spectral shape variability from very bimodal to very monomodal was observed in close proximity. Cloud supersaturation (S) estimates based on critical S, Sc, at minimal CCN concentrations between two modes (Hoppel minima) were ascertained for 63% of 325 measured spectra. These cloud S were lower than effective S (Seff) determined by comparing ambient CCN spectra with nearby cloud droplet concentrations (Nc). Averages for the polluted MASE stratus were 0.15 and 0.23% and for the cumulus clouds of ICE-T 0.44 and 1.03%. This cloud S disagreement between the two methods might in part be due to the fact that Hoppel minima include the effects of cloud processing, which push CCN spectra toward lower S. Furthermore, there is less cloud processing by the smaller cloud droplets, which might be related to smaller droplets evaporating more readily. Significantly lower concentrations within the more bimodal spectra compared with the monomodal spectra indicated active physical processes: Brownian capture of interstitial CCN and droplet coalescence. Chemical cloud processing also contributed to bimodality, especially in MASE.

  11. Occurrence of Knudsen minima in diverging microchannels

    SciTech Connect

    Hemadri, Vadiraj; Bhandarkar, Upendra; Agrawal, Amit

    2014-12-09

    Rarefied gas flow is gaining increasing importance with the emergence of Micro Electro Mechanical Systems (MEMS). Knudsen minima is one of the characteristic feature of such rarefied flows and has been observed in uniform cross section channels such as plane channel, cylindrical tube and annulus. However, data pertaining to gaseous flow in varying cross section channel is relatively sparse. Channels of varying cross section are frequently encountered in MEMS devices and are fundamental to the design of micro-scale nozzles and micro-valves. In this context, rarefied gas flow through a diverging microchannel (divergence angle – 12 degree) is studied experimentally with three different gases (argon, nitrogen and oxygen). The experiments are performed over a wide range with the mean Knudsen number varying from slip to the transitional regime (0.07 to 1.2). It is found that the effect of molecular weight of the gas on the non-dimensional mass flow rate is negligible. The Knudsen minima is experimentally observed for the first time in microchannel of non-uniform cross section.

  12. New leishmanicidal physalins from Physalis minima.

    PubMed

    Choudhary, M Iqbal; Yousuf, Sammer; Samreen; Ahmed, Shakil; Atta-Ur-Rahman

    2007-08-01

    Two new physalins, 16,24-cyclo-13,14-secoergosta-2-ene-18,26-dioic acid-14 : 17,14 : 27-diepoxy-11beta,13,20,22-tetrahydroxy-5alpha-methoxy-1,15-dioxo-gamma-lactone delta-lactone (1), and 16,24-cyclo-13,14-secoergosta-2-ene-18,26-dioic acid-14 : 17,14 : 27-diepoxy-5alpha,11beta,13,20,22-pentahydroxy-1,6,15-trioxo-gamma-lactone delta-lactone (2), have been isolated from the whole plant of Physalis minima Linn. (var. indica). Their structures were deduced on the basis of spectroscopic analysis. Both of these compounds have shown potent leishmanicidal activity against the promastigotes of Leishmania major.

  13. Solar Twins and Stellar Maunder Minima

    NASA Astrophysics Data System (ADS)

    Hall, Jeffrey C.

    2012-05-01

    In 1966, Olin C. Wilson undertook an answer to the question “Does the chromospheric activity of main-sequence stars vary with time, and if so, how?”, initiating the so-called HK Project at Mount Wilson Observatory, which resulted in a magnificent 43-year data set and which has spawned a number of complementary synoptic programs in both hemispheres. Subsequent developments, in particular the realization that activity controls angular momentum evolution in the stars and Sun, that solar activity modulates irradiance, and that there was a pronounced response of terrestrial climate to the Maunder Minimum, spurred efforts to identify solar twins, stars that Giusa Cayrel de Strobel required to possess “fundamental physical parameters very similar, if not identical to those of the Sun.” Non-cycling states appear to occur in the Mount Wilson stars and in other synoptic data with about the same frequency that the Sun’s grand minima occur in the long-term proxy record, suggesting that stellar analogs of the Maunder Minimum may be used to guide understanding of the Sun’s state in the late seventeenth century and, as appears possible given the extended Cycle 23/24 minimum, in the near future. However, the magnitude limits of the existing surveys have kept the sample of solar twins small and long-term monitoring programs have only recently begun to accumulate good time-domain data beyond the canonical HK-index. Addressing these and other issues toward understanding prolonged stellar minima is therefore a key area of inquiry in solar-stellar connection work for the next decade. I will summarize the state of the field and the most promising lines of work for the immediate future. I and my colleagues Wes Lockwood and Brian Skiff sincerely appreciate the National Science Foundation’s long-time support of stellar cycles work at Lowell Observatory.

  14. Ecology of common salvinia, Salvinia minima, in southern Florida

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The floating macrophyte, Salvinia minima, grows in a variety of freshwater habitats in Florida. We conducted a 39-month study at four sites in southern Florida to elucidate the abiotic and biotic factors that influenced the density, nutritional profile, and size of S. minima. These factors include...

  15. 14 CFR 121.625 - Alternate Airport weather minima.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 3 2011-01-01 2011-01-01 false Alternate Airport weather minima. 121.625... Alternate Airport weather minima. Except as provided in § 121.624 for ETOPS Alternate Airports, no person may list an airport as an alternate in the dispatch or flight release unless the appropriate...

  16. 14 CFR 121.625 - Alternate Airport weather minima.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 3 2013-01-01 2013-01-01 false Alternate Airport weather minima. 121.625... Alternate Airport weather minima. Except as provided in § 121.624 for ETOPS Alternate Airports, no person may list an airport as an alternate in the dispatch or flight release unless the appropriate...

  17. 14 CFR 121.625 - Alternate Airport weather minima.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 3 2014-01-01 2014-01-01 false Alternate Airport weather minima. 121.625... Alternate Airport weather minima. Except as provided in § 121.624 for ETOPS Alternate Airports, no person may list an airport as an alternate in the dispatch or flight release unless the appropriate...

  18. 14 CFR 121.625 - Alternate Airport weather minima.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 3 2010-01-01 2010-01-01 false Alternate Airport weather minima. 121.625... Alternate Airport weather minima. Except as provided in § 121.624 for ETOPS Alternate Airports, no person may list an airport as an alternate in the dispatch or flight release unless the appropriate...

  19. 14 CFR 121.625 - Alternate Airport weather minima.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 3 2012-01-01 2012-01-01 false Alternate Airport weather minima. 121.625... Alternate Airport weather minima. Except as provided in § 121.624 for ETOPS Alternate Airports, no person may list an airport as an alternate in the dispatch or flight release unless the appropriate...

  20. CCD Times of Minima of Selected Eclipsing Binaries

    NASA Astrophysics Data System (ADS)

    Zejda, Miloslav

    2004-12-01

    682 CCD minima observations of 259 eclipsing binaries made mainly by author are presented. The observed stars were chosen mainly from catalogue BRKA of observing programme of BRNO-Variable Star Section of CAS.

  1. GRAND MINIMA AND NORTH-SOUTH ASYMMETRY OF SOLAR ACTIVITY

    SciTech Connect

    Olemskoy, S. V.; Kitchatinov, L. L.

    2013-11-01

    A solar-type dynamo model in a spherical shell is developed with allowance for random dependence of the poloidal field generation mechanism on time and latitude. The model shows repeatable epochs of a strongly decreased amplitude of magnetic cycles similar to the Maunder minimum of solar activity. Random dependence of dynamo parameters on latitude breaks the equatorial symmetry of generated fields. The model shows the correlation of the occurrence of grand minima with deviations in the dynamo field from dipolar parity. An increased north-south asymmetry of magnetic activity can, therefore, be an indicator of transitions to grand minima. Qualitative interpretation of this correlation is suggested. Statistics of grand minima in the model are close to the Poisson random process, indicating that the onset of a grand minimum is statistically independent of preceding minima.

  2. Connection between solar activity cycles and grand minima generation

    NASA Astrophysics Data System (ADS)

    Vecchio, A.; Lepreti, F.; Laurenza, M.; Alberti, T.; Carbone, V.

    2017-03-01

    Aims: The revised dataset of sunspot and group numbers (released by WDC-SILSO) and the sunspot number reconstruction based on dendrochronologically dated radiocarbon concentrations have been analyzed to provide a deeper characterization of the solar activity main periodicities and to investigate the role of the Gleissberg and Suess cycles in the grand minima occurrence. Methods: Empirical mode decomposition (EMD) has been used to isolate the time behavior of the different solar activity periodicities. A general consistency among the results from all the analyzed datasets verifies the reliability of the EMD approach. Results: The analysis on the revised sunspot data indicates that the highest energy content is associated with the Schwabe cycle. In correspondence with the grand minima (Maunder and Dalton), the frequency of this cycle changes to longer timescales of 14 yr. The Gleissberg and Suess cycles, with timescales of 60-120 yr and 200-300 yr, respectively, represent the most energetic contribution to sunspot number reconstruction records and are both found to be characterized by multiple scales of oscillation. The grand minima generation and the origin of the two expected distinct types of grand minima, Maunder and longer Spörer-like, are naturally explained through the EMD approach. We found that the grand minima sequence is produced by the coupling between Gleissberg and Suess cycles, the latter being responsible for the most intense and longest Spörer-like minima (with typical duration longer than 80 yr). Finally, we identified a non-solar component, characterized by a very long scale oscillation of 7000 yr, and the Hallstatt cycle ( 2000 yr), likely due to the solar activity. Conclusions: These results provide new observational constraints on the properties of the solar cycle periodicities, the grand minima generation, and thus the long-term behavior of the solar dynamo.

  3. Study on the antibacterial potential of physalis minima linn.

    PubMed

    Patel, T; Shah, K; Jiwan, K; Shrivastava, Neeta

    2011-01-01

    Physalis minima is an important medicinal plant of Indian System of Medicine. This plant is reported for its diuretic, laxative and antiinflammatory activities. However, the plant is not well scrutinized for its antimicrobial potential. The major chemical constituents reported from the plant are phenolics and alkaloids, which suggest that the plant may turn out to be a potent antiinfective agent. The aim of the study was to find out the antibacterial potential of mature berries of P. minima using streak plate, well diffusion, determination of minimum inhibitory concentration and bioautographic methods against a battery of Gram positive and Gram negative bacterial strains. Results of the study showed that methanol and chloroform extracts of P. minima exhibited potent inhibitory activity against all the bacterial strains tested. Minimum inhibitory concentration found out was 100 μg in both the extracts. Bioautography assay showed polar compounds present in the crude extract are responsible for the antimicrobial action.

  4. Study on the Antibacterial Potential of Physalis Minima Linn

    PubMed Central

    Patel, T.; Shah, K.; Jiwan, K.; Shrivastava, Neeta

    2011-01-01

    Physalis minima is an important medicinal plant of Indian System of Medicine. This plant is reported for its diuretic, laxative and antiinflammatory activities. However, the plant is not well scrutinized for its antimicrobial potential. The major chemical constituents reported from the plant are phenolics and alkaloids, which suggest that the plant may turn out to be a potent antiinfective agent. The aim of the study was to find out the antibacterial potential of mature berries of P. minima using streak plate, well diffusion, determination of minimum inhibitory concentration and bioautographic methods against a battery of Gram positive and Gram negative bacterial strains. Results of the study showed that methanol and chloroform extracts of P. minima exhibited potent inhibitory activity against all the bacterial strains tested. Minimum inhibitory concentration found out was 100 μg in both the extracts. Bioautography assay showed polar compounds present in the crude extract are responsible for the antimicrobial action. PMID:22131635

  5. Chemopreventive Agents from Physalis minima Function as Michael Reaction Acceptors

    PubMed Central

    Men, Ruizhi; Li, Ning; Ding, Chihong; Tang, Yingzhan; Xing, Yachao; Ding, Wanjing; Ma, Zhongjun

    2016-01-01

    Background: The fruits of some varieties of genus Physalis have been used as delicious fruits and functional food in the Northeast of China. Materials and Methods: To reveal the functional material basis, we performed bioactivity-guided phytochemical research and chemopreventive effect assay of the constituents from Physalis minima. Results: It was demonstrated that the ethyl acetate extract of P. minima L. (EEPM) had potential quinone reductase (QR) inducing activity with induction ratio (IR, QR induction activity) value of 1.47 ± 0.24, and glutathione binding property as potential Michael reaction acceptors (with an α, β-unsaturated ketone moiety). Furthermore, bioactivity-guided phytochemical research led eight compounds (1–8), which were elucidated as 3-isopropyl-5-acetoxycyclohexene-2-one-1 (1), isophysalin B (2), physalin G (3), physalin D (4), physalin I (5), physordinose B (6), stigmasterol-3-O-β-D-glucopyranoside (7) and 5α-6β-dihydroxyphysalin R (8) on the basis of nuclear magnetic resonance spectroscopy analyses and HRESIMS. Then, isophysalin B (2) and physordinose B (6) showed significant QR inducing activity with IR value of 2.80 ± 0.19 and 2.38 ± 0.46, respectively. SUMMARY An ultra-performance liquid chromatographic method with glutathione as the substrate was used to detect the Michael reaction acceptors in extracts of Physalis minima (EPM)We investigated the chemical constituents of EPM guided by biological activity methodIsophysalin B (1) and physordinose B (6) showed strong quinone reductase inducing activity with induction ratio values of 2.80 ± 0.19 and 2.38 ± 0.46This study generated useful information for consumers and many encourage researchers to utilize edible fruits from Physalis as a source of phytochemicals Abbreviations used: EPM: Extracts of Physalis minima, EEPM: Ethyl acetate extract of Physalis minima L., GSH: Glutathione, MRAs: Michael reaction acceptors, QR: Quinone reductase. PMID:27279713

  6. "Compressing liquid": an efficient global minima search strategy for clusters.

    PubMed

    Zhou, R L; Zhao, L Y; Pan, B C

    2009-07-21

    In this paper we present a new global search strategy named as "compressing liquid" for atomic clusters. In this strategy, a random fragment of liquid structure is adopted as a starting geometry, followed by iterative operations of "compressing" and Monte Carlo adjustment of the atom positions plus structural optimization. It exhibits fair efficiency when it is applied to seeking the global minima of Lennard-Jones clusters. We also employed it to search the low-lying candidates of medium silicon clusters Si(n)(n=40-60), where the global search is absent. We found the best candidates for most sizes. More importantly, we obtained non-fullerene-based structures for some sized clusters, which were not found from the endohedral-fullerene strategy. These results indicate that the "compressing-liquid" method is highly efficient for global minima search of clusters.

  7. B.R.N.O. Contributions #39 Times of minima

    NASA Astrophysics Data System (ADS)

    Honkova, K.; Jurysek, J.; Lehky, M.; Smelcer, L.; Masek, M.; Mazanec, J.; Hanzl, D.; Urbanik, M.; Magris, M.; Vrastak, M.; Walter, F.; Hladik, B.; Medulka, T.; Bilek, F.; Trnka, J.; Jacobsen, J.; Benacek, J.; Kuchtak, B.; Audejean, M.; Ogmen, Y.; Zibar, M.; Fatka, P.; Marchi, F.; Poddany, S.; Quinones, C.; Tapia, L.; Scaggiante, F.; Zardin, D.; Corfini, G.; Hajek, P.; Lomoz, F.; Mravik, J.; Grnja, J.; Campos, F.; Caloud, J.; Esseiva, N.; Jaks, S.; Hornik, M.; Filip, J.; Uhlar, R.; Mina, F.; Artola, R.; Zalazar, J.; Muller, D.; Pintr, P.; Divisova, L.

    2015-02-01

    This paper presents 1463 times of minima for 455 objects acquired by 46 members and cooperating observers of the Variable Star and Exoplanet Section of the Czech Astronomical Society (B.R.N.O. Observing project). Observations were carried out between October 2013 - September 2014. Some neglected southern eclipsing binaries and newly discovered stars by the observers of project B.R.N.O. are included in the list.

  8. Efficient Accommodation of Local Minima in Watershed Model Calibration

    DTIC Science & Technology

    2006-02-02

    of information if it does not display a currently valid OMB control number. 1. REPORT DATE 2006 2. REPORT TYPE 3. DATES COVERED 00-00-2006 to...should notify the user of this, and of the fact that parameter estimates forthcom- ing from the calibration process are nonunique . Whether or not an...challenges posed by parameter nonuniqueness and local objective function minima will lead to the necessity to carry out more model runs than that

  9. Grand minima of solar activity and sociodynamics of culture

    NASA Astrophysics Data System (ADS)

    Vladimirsky, B. M.

    2012-12-01

    Indices of creative productivity introduced by C. Murrey were used to verify S. Ertel's conclusion about a global increase in creative productivity during the prolonged minimum of solar activity in 1640-1710. It was found that these indices for mathematicians, philosophers, and scientists increase in the Maunder era by factor of 1.6 in comparison with intervals of the same length before and after the minimum. A similar effect was obtained for mathematicians and philosophers for five earlier equitype minima in total (an increase by a factor of 1.9). The regularity that is revealed is confirmed by the fact that the most important achievements of high-ranking mathematicians and philosophers during the whole time period (2300 years) considered in this study fall on epochs of reduced levels of solar activity. The rise in the probability of the generation of rational ideas during grand minima is reflected also in the fact that they precede the appearance of written language and farming. Ultra-low-frequency electromagnetic fields appear to serve as a physical agent stimulating the activity of the brain's left hemisphere during the epochs of minima.

  10. Global Franck-Condon Breakdown Resulting from Cooper Minima

    NASA Astrophysics Data System (ADS)

    Rao, R. M.; Poliakoff, E. D.; Wang, Kwanghsi; McKoy, V.

    1996-04-01

    Using N2 2σ-1u photoionization as an example, we present the first measurements and calculations of photoion vibrational distributions for an extended energy range ( 5<=Ek<=230 eV). The results show a striking breakdown of the Franck-Condon approximation over a 100 eV range. We show that this coupling between vibrational and electronic motion arises from a dependence of Cooper minima on molecular bond length. Based on this mechanism, the effect is expected to be common for molecular systems.

  11. B.R.N.O. Contributions #38 Times of minima

    NASA Astrophysics Data System (ADS)

    Hoňková, K.; Juryšek, J.; Lehký, M.; Šmelcer, L.; Trnka, J.; Mašek, M.; Urbaník, M.; Auer, R.; Vrašták, M.; Kučáková, H.; Ruocco, N.; Magris, M.; Polák, J.; Brát, L.; Audejean, M.; Banfi, M.; Moudrá, M.; Lomoz, F.; Přibík, V.; Dřevěný, R.; Scaggiante, F.; Kocián, R.; Cagaš, P.; Poddaný, S.; Zíbar, M.; Jacobsen, J.; Marek, P.; Colazo, C.; Zardin, D.; Sobotka, P.; Starzomski, J.; Hladík, B.; Vincenzi, M.; Skarka, M.; Walter, F.; Chapman, A.; Díaz, N. D.; Aceti, P.; Singh, P.; Kalista, L.; Kamenec, M.; Zejda, M.; Marchi, F.; Bílek, R.; Guzzo, P.; Corfini, G.; Onderková, K.; Hečko, A.; Mina, F.; Vítek, M.; Barsa, R.; Quinones, C.; Taormina, M.; Melia, R.; Schneiter, M.; Scavuzzo, A.; Marcionni, N.; Ehrenberger, R.; Tapia, L.; Fasseta, G.; Suarez, N.; Scaggiante, D.; Artusi, E.; Garcia, R.; Grnja, J.; Fišer, A.; Hynek, T.; Vilášek, M.; Rozehnal, J.; Kalisch, T.; Lang, K.; Gorková, S.; Novysedlák, R.; Salvaggio, F.; Smyčka, T.; Spurný, M.; Wikander, T.; Mravik, J.; Šuchaň, J.; Čaloud, J.

    2013-12-01

    This paper presents observations of eclipsing binaries acquired by members and cooperating observers of the Variable Star and Exoplanet Section of Czech Astronomical Society (B.R.N.O. observing project). Paper contains 3417 times of minima for 969 objects. It was obtained by 80 observers during 2011 ± 2013 period. Some neglected southern eclipsing binaries and newly discovered stars by the observers of project B.R.N.O. are included in the list. New accurate ephemerides have been found for 447 binary systems. Time of primary minimum of long period variable eps Aur is presented as well.

  12. Effect of correlations between minima on a complex energy landscape

    NASA Astrophysics Data System (ADS)

    Pusuluri, Sai Teja; Lang, Alex H.; Mehta, Pankaj; Castillo, Horacio E.

    We recently modeled cellular interconvertion dynamics by using an epigenetic landscape model inspired by neural network models. Given an arbitrary set of patterns, the model can be used to construct an energy landscape in which those patterns are the global minima. We study the possible stable states and metastable states of the landscapes thus constructed. We consider three different cases: i) choosing the patterns to be random and independently distributed ii) choosing a set of patterns directly derived from the experimental cellular transcription factor expression data for a representative set of cell types in an organism and iii) choosing randomly generated trees of hierarchically correlated patterns, inspired by biology. For each of the three cases, we study the energy landscapes. In particular we study the basins of attraction of both the stable states and the metastable states, we compute the configurational entropy as a function of energy, and we demonstrate how those results depend on the correlations between the patterns.

  13. Viscosity minima in binary mixtures of ionic liquids + molecular solvents.

    PubMed

    Tariq, M; Shimizu, K; Esperança, J M S S; Canongia Lopes, J N; Rebelo, L P N

    2015-05-28

    The viscosity (η) of four binary mixtures (ionic liquids plus molecular solvents, ILs+MSs) was measured in the 283.15 < T/K < 363.15 temperature range. Different IL/MS combinations were selected in such a way that the corresponding η(T) functions exhibit crossover temperatures at which both pure components present identical viscosity values. Consequently, most of the obtained mixture isotherms, η(x), exhibit clear viscosity minima in the studied T-x range. The results are interpreted using auxiliary molecular dynamics (MD) simulation data in order to correlate the observed η(T,x) trends with the interactions in each mixture, including the balance between electrostatic forces and hydrogen bonding.

  14. All Solar Minima are not Alike: Consequences at Earth

    NASA Astrophysics Data System (ADS)

    Kozyra, J. U.; Gibson, S. E.; de Toma, G.; Emery, B. A.; Onsager, T. G.; Sojka, J. J.; Thompson, B. J.

    2009-05-01

    New observations that were collected as part of the IHY Whole Heliosphere Campaign are changing our present understanding of solar quiet intervals and the solar minimum sun-Earth system. These observations indicate that significant differences in coronal hole distribution can occur at the Sun from one solar minimum to the next. The high-speed coronal hole wind is the primary source of space weather disturbances that perturb the Earth's upper atmosphere and create reactive species. The broad low-latitude coronal holes that developed this solar minimum produced strong, long-lived and recurring high-speed streams. This is in contrast to the weaker and more sporadic streams last solar minimum produced by narrow equatorward extensions from polar coronal holes. Since the speed, duration and southward magnetic field component determine the severity of space weather effects, the geospace environment responds quite differently to these two coronal hole distributions. Despite the fact that the present solar minimum is exceptionally quiet with sunspot numbers the lowest in 75 years, solar wind density and IMF strength at the lowest values ever observed and with geomagnetic indices and solar EUV fluxes the lowest in three solar cycles, magnetic activity at Earth is showing new features and has remained surprisingly strong. The details of newly discovered geospace and upper atmospheric effects are described and possible reasons behind them discussed. What these new data sets demonstrate is that the distribution of low-latitude open magnetic flux on the Sun is a key factor in determining how the Earth will respond to a given solar minimum. If the low sunspot conditions of solar minima have analogies to conditions during solar "grand minima" (where sunspots all but disappear for extended periods), then these new results imply that high-speed solar wind streams may introduce complexities to the Earth's response during these times as well.

  15. INTERPLANETARY MAGNETIC FLUX DEPLETION DURING PROTRACTED SOLAR MINIMA

    SciTech Connect

    Connick, David E.; Smith, Charles W.; Schwadron, Nathan A. E-mail: Charles.Smith@unh.edu

    2011-01-20

    We examine near-Earth solar wind observations as assembled within the Omni data set over the past 15 years that constitute the latest solar cycle. We show that the interplanetary magnetic field continues to be depleted at low latitudes throughout the protracted solar minimum reaching levels below previously predicted minima. We obtain a rate of flux removal resulting in magnetic field reduction by 0.5 nT yr{sup -1} at 1 AU when averaged over the years 2005-2009 that reduces to 0.3 nT yr{sup -1} for 2007-2009. We show that the flux removal operates on field lines that follow the nominal Parker spiral orientation predicted for open field lines and are largely unassociated with recent ejecta. We argue that the field line reduction can only be accomplished by ongoing reconnection of nominally open field lines or very old closed field lines and we contend that these two interpretations are observationally equivalent and indistinguishable.

  16. Polar Magnetic Fields Observed During the Last Four Solar Minima

    NASA Astrophysics Data System (ADS)

    Sun, X.; Liu, Y.; Hoeksema, J. T.

    2008-12-01

    The Sun's polar fields during the current minimum are the weakest in at least four solar cycles. The field strengths are fairly symmetric, unlike at least the two previous minima. We compare data from the Wilcox Solar Observatory (WSO) and Michelson Doppler Imager (MDI) to follow the polar field changes since 1976. The polar field is never observed well from Earth because the ecliptic lies near the Sun's equator, and each year the view of the north (south) is completely hidden for several months around March 7 (September 7). Analysis of the most favorably oriented MDI synoptic maps each year allows us to derive the fairly slowly evolving large-scale polar magnetic field pattern from 1996 to the present. We account for differential rotation and other geometric effects. The analysis allows us to provide a useful interpolated or extrapolated correction that can be smoothly incorporated into the global synoptic or synchronic maps above about 70 degrees latitude. The polar field is important in modeling the large-scale coronal and heliospheric field, particularly at minimum. Even though there has been extremely little solar activity over the last several months, at the current solar minimum the structure of the corona is much less equatorial than usual, in part because the polar fields are relatively weak.

  17. Anti lipid peroxidation activity of Piper trioicum Roxb. and Physalis minima L. extracts.

    PubMed

    Dinakaran, Sathis Kumar; Saraswathi, Narasimha Raju; Nalini, Venkata Rama Rao; Srisudharson; Bodanapu, Venkat Ram Reddy; Avasarala, Harani; Banji, David

    2011-07-01

    Attempt has been made to evaluate free radical scavenging activity of ethanolic extract of Piper trioicum Roxb. and Physalis minima L. individually. In this study goat liver has been used as lipid source. This in vitro evaluation was done by measuring the malondialdehyde (MDA) of tissue homogenates. The results suggest that the ethanolic extract of the Piper trioicum Roxb. and Physalis minima L. has the ability to suppress the lipid peroxidation and it was also found that Piper trioicum Roxb. extract has more activity than Physalis minima L. extract.

  18. Erratum: "B.R.N.O. Contributions #38 Times of minima of eclipsing binary" (OEJV #160, [2013])

    NASA Astrophysics Data System (ADS)

    Honková, K.; Juryšek, J.; Lehký, M.; Šmelcer, L.; Trnka, J.; Mašek, M.; Urbaník, M.; Auer, R.; Vrašták, M.; Kučáková, H.; Ruocco, N.; Magris, M.; Polák, J.; Brát, L.; Audejean, M.; Banfi, M.; Moudrá, M.; Lomoz, F.; Přibík, V.; Dřevěný, R.; Scaggiante, F.; Kocián, R.; Cagaš, P.; Poddaný, S.; Zíbar, M.; Jacobsen, J.; Marek, P.; Colazo, C.; Zardin, D.; Sobotka, P.; Starzomski, J.; Hladík, B.; Vincenzi, M.; Skarka, M.; Walter, F.; Chapman, A.; Díaz, N. D.; Aceti, P.; Singh, P.; Kalista, L.; Kamenec, M.; Zejda, M.; Marchi, F.; Bílek, R.; Guzzo, P.; Corfini, G.; Onderková, K.; Hečko, A.; Mina, F.; Vítek, M.; Barsa, R.; Quinones, C.; Taormina, M.; Melia, R.; Schneiter, M.; Scavuzzo, A.; Marcionni, N.; Ehrenberger, R.; Tapia, L.; Fasseta, G.; Suarez, N.; Scaggiante, D.; Artusi, E.; Garcia, R.; Grnja, J.; Fišer, A.; Hynek, T.; Vilášek, M.; Rozehnal, J.; Kalisch, T.; Lang, K.; Gorková, S.; Novysedlák, R.; Salvaggio, F.; Smyčka, T.; Spurný, M.; Wikander, T.; Mravik, J.; Šuchań, J.; Čaloud, J.

    2014-08-01

    Due to an errors in calculated heliocentric corrections, there are 404 wrong HJD minima timings (with larger Difference than Min error; see header of the Table) in "B.R.N.O. Contributions #38 Times of minima of eclipsing binary" paper. The correct minima timings are presented hereafter.

  19. More on conditions of local and global minima coincidence in discrete optimization problems

    SciTech Connect

    Lebedeva, T.T.; Sergienko, I.V.; Soltan, V.P.

    1994-05-01

    In some areas of discrete optimization, it is necessary to isolate classes of problems whose target functions do not have local or strictly local minima that differ from the global minima. Examples include optimizations on discrete metric spaces and graphs, lattices and partially ordered sets, and linear combinatorial problems. A unified schema that to a certain extent generalizes the convexity models on which the above-cited works are based has been presented in articles. This article is a continuation of that research.

  20. Time spans between price maxima and price minima in stock markets

    NASA Astrophysics Data System (ADS)

    Zou, Yongjie; Li, Honggang

    2014-02-01

    We empirically investigate the distribution of time spans between price maxima and price minima in international stock markets, where a time span is defined as the time interval between a local price minimum and a local price maximum, and local price extrema are identified by a method introduced by Preis and Stanley (Preis et al. (2011), Preis (2011), Preis and Stanley (2011, 2010), Preis (2010), Preis and Stanley (2010), Stanley et al. (2010), Preis and Stanley (2009)). The empirical results show that both the tail distributions of time spans from local price maxima to local price minima and the tail distributions of time spans from local price minima to local price maxima yield an exponential distribution. In addition, price rise/fall asymmetry is observed by comparing the values of the exponents of the distribution curves. These results are robust across eight representative stock markets.

  1. Source of level dependent minima in rabbit distortion product otoacoustic emissions

    PubMed Central

    Fahey, P. F.; Stagner, B. B.; Martin, G. K.

    2008-01-01

    Sharp level dependent minima (commonly called nulls or notches) in the distortion product otoacoustic emissions (DPOAEs) have been postulated to be due to two different mechanisms. It is shown here that the level dependent nulls in rabbit 2f1−f2 DPOAEs carry the signature of the mixing of a third order nonlinear term with a fifth order nonlinear term. This suggests that the minima are not due to the mixing of signals from two different physical sites of origin, but rather are due to the nature of the nonlinearity itself. Model simulations show that null production is indifferent to several properties of nonlinear input∕output functions. PMID:19206797

  2. Coherent and dissipative wave packet dynamics in cyclic model systems with four equivalent potential minima

    NASA Astrophysics Data System (ADS)

    Brackhagen, O.; Kühn, O.; Manz, J.; May, V.; Meyer, R.

    1994-06-01

    The dynamics of cyclic systems with four equivalent potential minima is studied here from two different points of view. The solution of the time-dependent Schrödinger equation provides insight into the coherent wave packet motion. The resulting reaction mechanism involves relocalization between opposite, not neighboring potential minima. The inclusion of an environment within a density matrix description leads to dissipation and therefore to a transition from coherent to incoherent dynamics. The theoretical considerations are applied to a simple model of the cyclic motion of a proton in a molecular framework.

  3. Influence of shape resonances on minima in cross sections for photoionization of excited atoms

    SciTech Connect

    Felfli, Z.; Manson, S.T. Department of Astronomy, Georgia State University, Atlanta, Georgia 30303 )

    1990-02-01

    A relationship between the location of Cooper minima and the difference between the quantum defect of the initial state and the threshold phase shift (in units of {pi}) of the final state in excited photoionization has been suggested earlier (Phys. Rev. Lett. 48, 473 (1982)). The existence of a shape resonance in the final state is shown to modify this relationship.

  4. Checklist of insects associated with Salvinia minima (Baker) in Louisiana, USA

    Technology Transfer Automated Retrieval System (TEKTRAN)

    his study presents a list of adult insects (excluding Diptera and Lepidoptera) collected from an infestation of an invasive aquatic weed, common salvinia (Salvinia minima Baker), in southern Louisiana, USA. Insects were sampled from May – November of 2009 and 2010 using floating pitfall traps. A to...

  5. Release and evaluation of Cyrtobagous salviniae on common salvinia minima in southern Louisiana

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Common salvinia (Salvinia minima) is one of the most widespread, non-native invasive species at the Barataria Preserve of Jean Lafitte National Historical Park and Preserve in southern Louisiana and currently infests more than 3,600 ha and 48 km of navigable waterways. A proven biological control a...

  6. Fast-flowering mini-maize: seed to seed in 60 days

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two lines of Zea mays were developed as a short-generation model for maize. The Fast-Flowering Mini-Maize (FFMM) lines A and B are robust inbred lines with a significantly shorter generation time, much smaller stature, and better greenhouse adaptation than traditional maize varieties. Five generatio...

  7. A new heuristic method for approximating the number of local minima in partial RNA energy landscapes.

    PubMed

    Albrecht, Andreas A; Day, Luke; Abdelhadi Ep Souki, Ouala; Steinhöfel, Kathleen

    2016-02-01

    The analysis of energy landscapes plays an important role in mathematical modelling, simulation and optimisation. Among the main features of interest are the number and distribution of local minima within the energy landscape. Granier and Kallel proposed in 2002 a new sampling procedure for estimating the number of local minima. In the present paper, we focus on improved heuristic implementations of the general framework devised by Granier and Kallel with regard to run-time behaviour and accuracy of predictions. The new heuristic method is demonstrated for the case of partial energy landscapes induced by RNA secondary structures. While the computation of minimum free energy RNA secondary structures has been studied for a long time, the analysis of folding landscapes has gained momentum over the past years in the context of co-transcriptional folding and deeper insights into cell processes. The new approach has been applied to ten RNA instances of length between 99 nt and 504 nt and their respective partial energy landscapes defined by secondary structures within an energy offset ΔE above the minimum free energy conformation. The number of local minima within the partial energy landscapes ranges from 1440 to 3441. Our heuristic method produces for the best approximations on average a deviation below 3.0% from the true number of local minima.

  8. Spontaneous Detachment of Colloids from Primary Energy Minima by Brownian Diffusion.

    PubMed

    Wang, Zhan; Jin, Yan; Shen, Chongyang; Li, Tiantian; Huang, Yuanfang; Li, Baoguo

    2016-01-01

    The Derjaguin-Landau-Verwey-Overbeek (DLVO) interaction energy profile has been frequently used to interpret the mechanisms controlling colloid attachment/detachment and aggregation/disaggregation behavior. This study highlighted a type of energy profile that is characterized by a shallow primary energy well (i.e., comparable to the average kinetic energy of a colloid) at a small separation distance and a monotonic decrease of interaction energy with separation distance beyond the primary energy well. This energy profile is present due to variations of height, curvature, and density of discrete physical heterogeneities on collector surfaces. The energy profile indicates that colloids can be spontaneously detached from the shallow primary energy well by Brownian diffusion. The spontaneous detachment from primary minima was unambiguously confirmed by conducting laboratory column transport experiments involving flow interruptions for two model colloids (polystyrene latex microspheres) and engineered nanoparticles (fullerene C60 aggregates). Whereas the spontaneous detachment has been frequently attributed to attachment in secondary minima in the literature, our study indicates that the detached colloids could be initially attached at primary minima. Our study further suggests that the spontaneous disaggregation from primary minima is more significant than spontaneous detachment because the primary minimum depth between colloid themselves is lower than that between a colloid and a collector surface.

  9. Metastable minima of the Heisenberg spin glass in a random magnetic field

    NASA Astrophysics Data System (ADS)

    Sharma, Auditya; Yeo, Joonhyun; Moore, M. A.

    2016-11-01

    We have studied zero-temperature metastable minima in classical m -vector component spin glasses in the presence of m -component random fields for two models, the Sherrington-Kirkpatrick (SK) model and the Viana-Bray (VB) model. For the SK model we have calculated analytically its complexity (the log of the number of minima) for both the annealed case where one averages the number of minima before taking the log and the quenched case where one averages the complexity itself, both for fields above and below the de Almeida-Thouless (AT) field, which is finite for m >2 . We have done numerical quenches starting from a random initial state (infinite temperature state) by putting spins parallel to their local fields until there is no further decrease of the energy and found that in zero field it always produces minima that have zero overlap with each other. For the m =2 and m =3 cases in the SK model the final energy reached in the quench is very close to the energy Ec at which the overlap of the states would acquire replica symmetry-breaking features. These minima have marginal stability and will have long-range correlations between them. In the SK limit we have analytically studied the density of states ρ (λ ) of the Hessian matrix in the annealed approximation. Despite the fact that in the presence of a random field there are no continuous symmetries, the spectrum extends down to zero with the usual √{λ } form for the density of states for fields below the AT field. However, when the random field is larger than the AT field, there is a gap in the spectrum, which closes up as the AT field is approached. The VB model behaves differently and seems rather similar to studies of the three-dimensional Heisenberg spin glass in a random vector field.

  10. Third minima in thorium and uranium isotopes in a self-consistent theory

    NASA Astrophysics Data System (ADS)

    McDonnell, J. D.; Nazarewicz, W.; Sheikh, J. A.

    2013-05-01

    Background: Well-developed third minima, corresponding to strongly elongated and reflection-asymmetric shapes associated with dimolecular configurations, have been predicted in some non-self-consistent models to impact fission pathways of thorium and uranium isotopes. These predictions have guided the interpretation of resonances seen experimentally. On the other hand, self-consistent calculations consistently predict very shallow potential-energy surfaces in the third minimum region.Purpose: We investigate the interpretation of third-minimum configurations in terms of dimolecular (cluster) states. We study the isentropic potential-energy surfaces of selected even-even thorium and uranium isotopes at several excitation energies. In order to understand the driving effects behind the presence of third minima, we study the interplay between pairing and shell effects.Methods: We use the finite-temperature superfluid nuclear density functional theory. We consider two Skyrme energy density functionals: a traditional functional SkM* and a recent functional UNEDF1 optimized for fission studies.Results: We predict very shallow or no third minima in the potential-energy surfaces of 232Th and 232U. In the lighter Th and U isotopes with N=136 and 138, the third minima are better developed. We show that the reflection-asymmetric configurations around the third minimum can be associated with dimolecular states involving the spherical doubly magic 132Sn and a lighter deformed Zr or Mo fragment. The potential-energy surfaces for 228,232Th and 232U at several excitation energies are presented. We also study isotopic chains to demonstrate the evolution of the depth of the third minimum with neutron number.Conclusions: We show that the neutron shell effect that governs the existence of the dimolecular states around the third minimum is consistent with the spherical-to-deformed shape transition in the Zr and Mo isotopes around N=58. We demonstrate that the depth of the third minimum

  11. Minima of Higgs potentials corresponding to non-maximal isotropy subgroups

    NASA Astrophysics Data System (ADS)

    Abud, M.; Anastaze, G.; Eckert, P.; Ruegg, H.

    1985-06-01

    Results are presented of the minimization of the Higgs potential for the irreducible representation 75 of SU(5). Isotropy groups of minima are determined using a geometrical method developed recently by Abud and Sartori. Minima with the maximal isotropy algebras su(3) + su(2) + u(1), sp(4) + u(1), su(2) + su(2) + u(1) and su(2) were found as well as a minimum with a non-maximal isotropy algebra su(2) + su(2) + u(1) + u(1) and discrete symmetry. A minimum having a non-maximal isotropy group SU(2) ⊗ U(1) ⊗ U(1) was also found, contrary to Michel's conjecture. A detailed analysis of the results is presented and the limits of Michel's conjecture are pointed out.

  12. [Preliminary study on molluscicidal effect of active components from Centipeda minima].

    PubMed

    Ni, Hong; Ma, An-Ning; Zhang, Yun; Geng, Peng

    2009-08-01

    The active components from Centipeda minima were extracted by water or ethanol, and identified by FTIR spectroscopy and UV-visible spectrophotometer. The molluscicidal effect of aqueous extract and ethanol extract from Centipeda minima against Oncomelania hupensis was determined as referring to the WHO guidelines for laboratory molluscicidal test. Treated with over 2.0 g/L aqueous extract and ethanol extract for five days, the mortality of O. hupensis was up to 100%, and their LC50, for snails was 0.50 g/L and 0.62 g/L, respectively. The molluscicidal activity of aqueous extract was higher than that of ethanol extract. The main components of aqueous extract and ethanol extract were sesquiterpenes lactones and sterols.

  13. Anti-inflammatory, analgesic and antipyretic activities of Physalis minima Linn.

    PubMed

    Khan, Murad Ali; Khan, Haroon; Khan, Sarwar; Mahmood, Tahira; Khan, Pir Mohammad; Jabar, Abdul

    2009-06-01

    In our present investigation, the crude methanol extract and chloroform fraction of the whole plant of Physalis minima Linn (Solanaceae) was investigated for anti-inflammatory, analgesic and antipyretic activities in NMRI mice and Wistar rats of either sex at 200 and 400 mg/kg, respectively. Various established in-vivo model's were used during the study. Both crude extract and chloroform fraction showed marked anti-inflammatory and analgesic activities as compared to a control at tested doses. The antipyretic potential of the crude extract and chloroform were insignificant in the Brewer's yeast fever model. Therefore, the whole plant of Physalis minima Linn could be considered as a potential candidate for bioactivity-guided isolation of natural anti-inflammatory and analgesic agents.

  14. Cooper minima and Young-type interferences in the photoionization of H{sub 2}{sup +}

    SciTech Connect

    Della Picca, R.; Fainstein, P. D.; Dubois, A.

    2011-09-15

    We present a detailed study of the partial and total cross sections for photon-induced electron emission from H{sub 2}{sup +}. By comparing the results employing exact and approximate, bounded and continuum wave functions, for one- and two-center basis functions, we find the origin and position of the Cooper-like minima in the partial cross sections and their relationship with the Young-type interference pattern.

  15. Physalindicanols, New Biogenetic Precursors of C28-Steroidal Lactones from Physalis minima var. indica.

    PubMed

    Sinha, S C; Ali, A; Bagchi, A; Sahai, M; Ray, A B

    1987-02-01

    The structures of two isomeric C (28)-sterols isolated from PHYSALIS MINIMA Linn. var. INDICA were elucidated as ergosta-5,25-dien-3beta,24zeta,-diol and ergosta-5,24(28)-dien-3beta,25-diol on the basis of detailed spectral analysis. The isolated sterols are regarded as precursors in the elaboration of complex C (28)-steroidal lactones, native in this plant and related species.

  16. Solasodine glycoside production by hairy root cultures of Physalis minima Linn.

    PubMed

    Putalun, Waraporn; Prasamsiwamai, Preeyaporn; Tanaka, Hiroyuki; Shoyama, Yukihiro

    2004-04-01

    Hairy root cultures of Physalis minima L. were developed using Agrobacterium rhizogenes, strain ATCC 15834 mediated transformation and grown in half strength of Murashige and Skoog medium containing 8% (w/v) sucrose. Media supplementation with 1 mg naphthalenacetic acid l(-1) and 1 mg benzyladenine increased solasodine glycoside up to 900 g dry wt, which was 20 times higher than that in the native root.

  17. [Supercomputer investigation of the protein-ligand system low-energy minima].

    PubMed

    Oferkin, I V; Sulimov, A V; Katkova, E V; Kutov, D K; Grigoriev, F V; Kondakova, O A; Sulimov, V B

    2015-01-01

    The accuracy of the protein-ligand binding energy calculations and ligand positioning is strongly influenced by the choice of the docking target function. This work demonstrates the evaluation of the five different target functions used in docking: functions based on MMFF94 force field and functions based on PM7 quantum-chemical method accounting or without accounting the implicit solvent model (PCM, COSMO or SGB). For these purposes the ligand positions corresponding to the minima of the target function and the experimentally known ligand positions in the protein active site (crystal ligand positions) were compared. Each function was examined on the same test-set of 16 protein-ligand complexes. The new parallelized docking program FLM based on Monte Carlo search algorithm was developed to perform the comprehensive low-energy minima search and to calculate the protein-ligand binding energy. This study demonstrates that the docking target function based on the MMFF94 force field can be used to detect the crystal or near crystal positions of the ligand by the finding the low-energy local minima spectrum of the target function. The importance of solvent accounting in the docking process for the accurate ligand positioning is also shown. The accuracy of the ligand positioning as well as the correlation between the calculated and experimentally determined protein-ligand binding energies are improved when the MMFF94 force field is substituted by the new PM7 method with implicit solvent accounting.

  18. Dynamics of driven transitions between minima of a complex energy landscapes

    NASA Astrophysics Data System (ADS)

    Pusuluri, Sai Teja; Lang, Alex H.; Mehta, Pankaj; Castillo, Horacio E.

    We recently modeled cellular interconvertion dynamics by using an epigenetic landscape model inspired by neural network models. Given an arbitrary set of patterns, the model can be used to construct an energy landscape in which those patterns are the global minima. Here we study the transitions between stable states of the landscapes thus constructed, under the effect of an external driving force. We consider three different cases: i) choosing the patterns to be random and independendently distributed ii) choosing a set of patterns directly derived from the experimental cellular transcription factor expression data for a representative set of cell types in an organism and iii) choosing randomly generated trees of hierarchically correlated patterns, inspired by biology. For each of the three cases, we study the stability of the global minima against thermal fluctuations and external driving forces, and the dynamics of the driven transitions away from global minima. We compare the results obtained in the three cases defined above, and in particular we explore to what degree the correlations between patterns affect the transition dynamics.

  19. Coronal transients during two solar minima: their source regions and interplanetary counterparts

    NASA Astrophysics Data System (ADS)

    Cremades, Hebe; Mandrini, Cristina H.; Dasso, Sergio

    2012-07-01

    We have investigated two full solar rotations belonging to two distinct solar minima, in the frame of two coordinated observational and research campaigns. The nearly uninterrupted gathering of solar coronal data since the beginning of the SOHO era offers the exceptional possibility of comparing two solar minima for the first time, with regard to coronal transients. This study characterizes the variety of outward-travelling transients observed in the solar corona during both time intervals, from very narrow jet-like events to coronal mass ejections (CMEs). Their solar source regions and ensuing interplanetary structures were identified and characterized. Multi-wavelength images from the space missions SOHO, Yohkoh and STEREO, and ground-based observatories were studied for coronal ejecta and their solar sources, while in situ data registered by the ACE spacecraft were inspected for interplanetary CMEs and magnetic clouds. Instrumental aspects such as dissimilar resolution, cadence, and fields of view are considered in order to discern instrumentally-driven disparities from inherent differences between solar minima.

  20. Minima of the fluctuations of the order parameter of global seismicity

    NASA Astrophysics Data System (ADS)

    Sarlis, N. V.; Christopoulos, S.-R. G.; Skordas, E. S.

    2015-06-01

    It has been recently shown [N. V. Sarlis, Phys. Rev. E 84, 022101 (2011) and N. V. Sarlis and S.-R. G. Christopoulos, Chaos 22, 023123 (2012)] that earthquakes of magnitude M greater or equal to 7 are globally correlated. Such correlations were identified by studying the variance κ1 of natural time which has been proposed as an order parameter for seismicity. Here, we study the fluctuations of this order parameter using the Global Centroid Moment Tensor catalog for a magnitude threshold Mthres = 5.0 and focus on its behavior before major earthquakes. Natural time analysis reveals that distinct minima of the fluctuations of the order parameter of seismicity appear within almost five and a half months on average before all major earthquakes of magnitude larger than 8.4. This phenomenon corroborates the recent finding [N. V. Sarlis et al., Proc. Natl. Acad. Sci. U.S.A. 110, 13734 (2013)] that similar minima of the seismicity order parameter fluctuations had preceded all major shallow earthquakes in Japan. Moreover, on the basis of these minima a statistically significant binary prediction method for earthquakes of magnitude larger than 8.4 with hit rate 100% and false alarm rate 6.67% is suggested.

  1. Minima of the fluctuations of the order parameter of global seismicity.

    PubMed

    Sarlis, N V; Christopoulos, S-R G; Skordas, E S

    2015-06-01

    It has been recently shown [N. V. Sarlis, Phys. Rev. E 84, 022101 (2011) and N. V. Sarlis and S.-R. G. Christopoulos, Chaos 22, 023123 (2012)] that earthquakes of magnitude M greater or equal to 7 are globally correlated. Such correlations were identified by studying the variance κ1 of natural time which has been proposed as an order parameter for seismicity. Here, we study the fluctuations of this order parameter using the Global Centroid Moment Tensor catalog for a magnitude threshold Mthres = 5.0 and focus on its behavior before major earthquakes. Natural time analysis reveals that distinct minima of the fluctuations of the order parameter of seismicity appear within almost five and a half months on average before all major earthquakes of magnitude larger than 8.4. This phenomenon corroborates the recent finding [N. V. Sarlis et al., Proc. Natl. Acad. Sci. U.S.A. 110, 13734 (2013)] that similar minima of the seismicity order parameter fluctuations had preceded all major shallow earthquakes in Japan. Moreover, on the basis of these minima a statistically significant binary prediction method for earthquakes of magnitude larger than 8.4 with hit rate 100% and false alarm rate 6.67% is suggested.

  2. Quantification of colloid retention and release by straining and energy minima in variably saturated porous media.

    PubMed

    Sang, Wenjing; Morales, Verónica L; Zhang, Wei; Stoof, Cathelijne R; Gao, Bin; Schatz, Anna Lottie; Zhang, Yalei; Steenhuis, Tammo S

    2013-08-06

    The prediction of colloid transport in unsaturated porous media in the presence of large energy barrier is hampered by scant information of the proportional retention by straining and attractive interactions at surface energy minima. This study aims to fill this gap by performing saturated and unsaturated column experiments in which colloid pulses were added at various ionic strengths (ISs) from 0.1 to 50 mM. Subsequent flushing with deionized water released colloids held at the secondary minimum. Next, destruction of the column freed colloids held by straining. Colloids not recovered at the end of the experiment were quantified as retained at the primary minimum. Results showed that net colloid retention increased with IS and was independent of saturation degree under identical IS and Darcian velocity. Attachment rates were greater in unsaturated columns, despite an over 3-fold increase in pore water velocity relative to saturated columns, because additional retention at the readily available air-associated interfaces (e.g., the air-water-solid [AWS] interfaces) is highly efficient. Complementary visual data showed heavy retention at the AWS interfaces. Retention by secondary minima ranged between 8% and 46% as IS increased, and was greater for saturated conditions. Straining accounted for an average of 57% of the retained colloids with insignificant differences among the treatments. Finally, retention by primary minima ranged between 14% and 35% with increasing IS, and was greater for unsaturated conditions due to capillary pinning.

  3. Minima of the fluctuations of the order parameter of global seismicity

    SciTech Connect

    Sarlis, N. V. Christopoulos, S.-R. G.; Skordas, E. S.

    2015-06-15

    It has been recently shown [N. V. Sarlis, Phys. Rev. E 84, 022101 (2011) and N. V. Sarlis and S.-R. G. Christopoulos, Chaos 22, 023123 (2012)] that earthquakes of magnitude M greater or equal to 7 are globally correlated. Such correlations were identified by studying the variance κ{sub 1} of natural time which has been proposed as an order parameter for seismicity. Here, we study the fluctuations of this order parameter using the Global Centroid Moment Tensor catalog for a magnitude threshold M{sub thres} = 5.0 and focus on its behavior before major earthquakes. Natural time analysis reveals that distinct minima of the fluctuations of the order parameter of seismicity appear within almost five and a half months on average before all major earthquakes of magnitude larger than 8.4. This phenomenon corroborates the recent finding [N. V. Sarlis et al., Proc. Natl. Acad. Sci. U.S.A. 110, 13734 (2013)] that similar minima of the seismicity order parameter fluctuations had preceded all major shallow earthquakes in Japan. Moreover, on the basis of these minima a statistically significant binary prediction method for earthquakes of magnitude larger than 8.4 with hit rate 100% and false alarm rate 6.67% is suggested.

  4. Scale-estimation of quantum coherent energy transport in multiple-minima systems

    PubMed Central

    Farrow, Tristan; Vedral, Vlatko

    2014-01-01

    A generic and intuitive model for coherent energy transport in multiple minima systems coupled to a quantum mechanical bath is shown. Using a simple spin-boson system, we illustrate how a generic donor-acceptor system can be brought into resonance using a narrow band of vibrational modes, such that the transfer efficiency of an electron-hole pair (exciton) is made arbitrarily high. Coherent transport phenomena in nature are of renewed interest since the discovery that a photon captured by the light-harvesting complex (LHC) in photosynthetic organisms can be conveyed to a chemical reaction centre with near-perfect efficiency. Classical explanations of the transfer use stochastic diffusion to model the hopping motion of a photo-excited exciton. This accounts inadequately for the speed and efficiency of the energy transfer measured in a series of recent landmark experiments. Taking a quantum mechanical perspective can help capture the salient features of the efficient part of that transfer. To show the versatility of the model, we extend it to a multiple minima system comprising seven-sites, reminiscent of the widely studied Fenna-Matthews-Olson (FMO) light-harvesting complex. We show that an idealised transport model for multiple minima coupled to a narrow-band phonon can transport energy with arbitrarily high efficiency. PMID:24980547

  5. Coronal Transient Events During Two Solar Minima: Their Solar Source Regions and Interplanetary Counterparts

    NASA Astrophysics Data System (ADS)

    Cremades, H.; Mandrini, C. H.; Dasso, S.

    2011-12-01

    In the frame of two coordinated observational and research efforts, two full solar rotations were investigated in the times of two distinct solar minima. These two campaigns were dubbed Whole Sun Month (WSM; 10 August - 8 September 1996) and Whole Heliosphere Interval (WHI; 20 March - 16 April 2008). The nearly uninterrupted gathering of solar coronal data since the beginning of the Solar and Heliospheric Observatory (SOHO) era offers the exceptional possibility of comparing two solar minima for the first time, with regard to the coronal transient aspect. This study characterizes the variety of outward-traveling transients observed in the solar corona during both time intervals, from very narrow jet-like events to coronal mass ejections (CMEs). Their solar source regions and ensuing interplanetary structures were identified and characterized as well, toward a global-scale description of their role in determining the heliosphere’s conditions. Multi-wavelength images provided by the space missions SOHO, Yohkoh (only WSM), and Solar-Terrestrial Relations Observatory (STEREO; only WHI) and ground-based observatories were analyzed for coronal ejecta and their solar sources, while data registered by the Advanced Composition Explorer (ACE) spacecraft were inspected for interplanetary CMEs and magnetic clouds. Notable differences arise from the analysis of the detailed survey of events: more (fewer) ejecta during WHI (WSM), 12% (40%) were produced by active regions during WHI (WSM), and nearly no (high) deflection from the radial direction was observed during WHI (WSM). Instrumental aspects such as dissimilar resolution, cadence, and fields of view are considered in order to discern instrumentally driven disparities from inherent differences between solar minima.

  6. Polar and equatorial coronal hole winds at solar minima: From the heliosphere to the inner corona

    SciTech Connect

    Zhao, L.; Landi, E.

    2014-02-01

    Fast solar wind can be accelerated from at least two different sources: polar coronal holes and equatorial coronal holes. Little is known about the relationship between the wind coming from these two different latitudes and whether these two subcategories of fast wind evolve in the same way during the solar cycle. Nineteen years of Ulysses observations, from 1990 to 2009, combined with ACE observations from 1998 to the present provide us with in situ measurements of solar wind properties that span two entire solar cycles. These missions provide an ideal data set to study the properties and evolution of the fast solar wind originating from equatorial and polar holes. In this work, we focus on these two types of fast solar wind during the minima between solar cycles 22 and 23 and 23 and 24. We use data from SWICS, SWOOPS, and VHM/FGM on board Ulysses and SWICS, SWEPAM, and MAG on board ACE to analyze the proton kinetic, thermal, and dynamic characteristics, heavy ion composition, and magnetic field properties of these two fast winds. The comparison shows that: (1) their kinetic, thermal, compositional, and magnetic properties are significantly different at any time during the two minima and (2) they respond differently to the changes in solar activity from cycle 23 to 24. These results indicate that equatorial and polar fast solar wind are two separate subcategories of fast wind. We discuss the implications of these results and relate them to remote-sensing measurements of the properties of polar and equatorial coronal holes carried out in the inner corona during these two solar minima.

  7. STRUCTURE IN THE 3D GALAXY DISTRIBUTION. II. VOIDS AND WATERSHEDS OF LOCAL MAXIMA AND MINIMA

    SciTech Connect

    Way, M. J.; Gazis, P. R.; Scargle, Jeffrey D. E-mail: PGazis@sbcglobal.net

    2015-01-20

    The major uncertainties in studies of the multi-scale structure of the universe arise not from observational errors but from the variety of legitimate definitions and detection methods for individual structures. To facilitate the study of these methodological dependencies, we have carried out 12 different analyses defining structures in various ways. This has been done in a purely geometrical way by utilizing the HOP algorithm as a unique parameter-free method of assigning groups of galaxies to local density maxima or minima. From three density estimation techniques (smoothing kernels, Bayesian blocks, and self-organizing maps) applied to three data sets (the Sloan Digital Sky Survey Data Release 7, the Millennium simulation, and randomly distributed points) we tabulate information that can be used to construct catalogs of structures connected to local density maxima and minima. We also introduce a void finder that utilizes a method to assemble Delaunay tetrahedra into connected structures and characterizes regions empty of galaxies in the source catalog.

  8. A genetic survey of Salvinia minima in the southern United States

    USGS Publications Warehouse

    Madeira, Paul T.; Jacono, C.C.; Tipping, Phil; Van, Thai K.; Center, Ted D.

    2003-01-01

    The genetic relationships among 68 samples of Salvinia minima (Salviniaceae) were investigated using RAPD analysis. Neighbor joining, principle components, and AMOVA analyses were used to detect differences among geographically referenced samples within and outside of Florida. Genetic distances (Nei and Li) range up to 0.48, although most are under 0.30, still relatively high levels for an introduced, clonally reproducing plant. Despite the diversity AMOVA analysis yielded no indication that the Florida plants, as a group, were significantly different from the plants sampled elsewhere in its adventive, North American range. A single, genetically dissimilar population probably exists in the recent (1998) horticultural introduction to Mississippi. When the samples were grouped into 10 regional (but artificial) units and analyzed using AMOVA the between region variance was only 7.7%. Genetic similarity among these regions may indicate introduction and dispersal from common sources. The reduced aggressiveness of Florida populations (compared to other states) may be due to herbivory. The weevil Cyrtobagous salviniae, a selective feeder, is found in Florida but not other states. The genetic similarity also suggests that there are no obvious genetic obstacles to the establishment or efficacy of C. salviniae as a biological control agent on S. minima outside of Florida.

  9. Annual ionospheric variations of the critical frequency foF2 at the equatorial stations during the solar minima

    NASA Astrophysics Data System (ADS)

    Biktash, Lilia

    2016-07-01

    We have analyzed annual ionospheric variations of the critical frequency foF2 at the equatorial stations during the solar minima. There are essential distinctions between the global TEC (total electron content) and foF2 annual variations during the last two solar minima. Many authors concluded that the annual means of foF2 and the global TEC were reduced, while others investigations no found essential variations as compared with the previous solar minimum. Most if not all of authors suppose that the possible source of this phenomenon is the low level of the EUV (extreme ultraviolet) during the solar minima. The aim of our paper is to amplify these conclusions or to propose new factor which can change ionosphere parameters during the solar minima. We calculated annual variations of foF2 at the equatorial stations and compared these data with Dst annual variations. We found that in addition to low level of the EUV during the solar minima, geomagnetic storms effects have to be included as the influencing factor on annual ionospheric variations.

  10. MinFinder: Locating all the local minima of a function

    NASA Astrophysics Data System (ADS)

    Tsoulos, Ioannis G.; Lagaris, Isaac E.

    2006-01-01

    A new stochastic clustering algorithm is introduced that aims to locate all the local minima of a multidimensional continuous and differentiable function inside a bounded domain. The accompanying software (MinFinder) is written in ANSI C++. However, the user may code his objective function either in C++, C or Fortran 77. We compare the performance of this new method to the performance of Multistart and Topographical Multilevel Single Linkage Clustering on a set of benchmark problems. Program summaryTitle of program:MinFinder Catalogue identifier:ADWU Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADWU Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Computer for which the program is designed and others on which is has been tested:The tool is designed to be portable in all systems running the GNU C++ compiler Installation:University of Ioannina, Greece Programming language used:GNU-C++, GNU-C, GNU Fortran 77 Memory required to execute with typical data:200 KB No. of bits in a word:32 No. of processors used:1 Has the code been vectorized or parallelized?:no No. of lines in distributed program, including test data, etc.:5797 No. of bytes in distributed program, including test data, etc.:588 121 Distribution format:gzipped tar file Nature of the physical problem:A multitude of problems in science and engineering are often reduced to minimizing a function of many variables. There are instances that a local optimum does not correspond to the desired physical solution and hence the search for a better solution is required. Local optimization techniques can be trapped in any local minimum. Global optimization is then the appropriate tool. For example, solving a non-linear system of equations via optimization, employing a "least squares" type of objective, one may encounter many local minima that do not correspond to solutions, i.e. they are far from zero. Method of solution:Using a uniform pdf, points are sampled from the

  11. A concept for reducing oceanic separation minima through the use of a TCAS-derived CDTI

    NASA Technical Reports Server (NTRS)

    Love, W. D.; Mcfarland, A. L.; Ludwick, J. S.

    1984-01-01

    A concept for using a cockpit display of traffic information (CDTI), as derived from a modified version of the Traffic Alert and Collision Avoidance System 2 (TCAS 2), to support reductions in air traffic separation minima for an oceanic track system is presented. The concept, and the TCAS modifications required to support it, are described. The feasibility of the concept is examined from a number of standpoints, including expected benefits, maximum alert rates, and possible transition strategies. Various implementation issues are analyzed. Pilot procedures are suggested for dealing with alert situations. Possible variations of the concept are also examined. Finally, recommendations are presented for other studies and simulation experiments which can be used to further verify the feasibility of the concept.

  12. Withanolides from Physalis minima and their inhibitory effects on nitric oxide production.

    PubMed

    Guan, Yu-Zhou; Shan, Si-Ming; Zhang, Wei; Luo, Jian-Guang; Kong, Ling-Yi

    2014-04-01

    Six new withanolides (1-6), including two uncommon 1,10-seco withanolides (1 and 2), together with five known withanolides (7-11), were isolated from the whole plants of Physalis minima Linn.. The structures of new compounds were elucidated through spectroscopic methods, including (1)H, (13)C NMR, 2D-NMR, HRESIMS and circular dichroism (CD). Inhibitory effects of the isolates on nitric oxide (NO) production in lipopolysaccaride-activated RAW264.7 macrophages were evaluated. Compounds 2 and 5 showed strong inhibitory activities with IC50 values of 8.04 and 10.01 μM, respectively. Compounds 1, 9 and 10 exhibited moderate inhibitory activities with IC50 values from 25.54 to 43.58 μM.

  13. Properties of Supergranulation During the Solar Minima of Cycles 22/23 and 23/24

    NASA Technical Reports Server (NTRS)

    Williams, Peter E.; Pesnell, W. Dean

    2011-01-01

    The solar minimum at the transition from cycle 23 to 24 was notable for its low level of activity and its extended duration. Among the various fields of study, the evolution of the solar convection zone may provide insight into the causes and consequences of this recent minimum. This study continues previous investigations of the characteristics of solar supergranulation, a convection component strongly linked to the structure of the magnetic field, namely the time-evolution of the global mean of supergranule cell size, determined from spectral analysis of MDI Dopplergrams from the two previous solar minima. Analyses of the global mean of supergranule sizes show a quasi-oscillatory nature to the evolution of this particular supergranule characteristic. Performing similar analyses on realistic, synthetic Doppler images show similar time-dependent characteristics. We conclude that the observed fluctuations are not observational artifacts, and that an underlying trend exists within the evolution of the supergranulation network.

  14. Invertebrate and fish assemblage relations to dissolved Oxygen minima in lowland streams of southwestern Louisiana

    USGS Publications Warehouse

    Justus, B.G.; Mize, Scott V.; Kroes, Daniel; Wallace, James E.

    2012-01-01

    Dissolved oxygen (DO) concentrations in lowland streams are naturally lower than those in upland streams; however, in some regions where monitoring data are lacking, DO criteria originally established for upland streams have been applied to lowland streams. This study investigated the DO concentrations at which fish and invertebrate assemblages at 35 sites located on lowland streams in southwestern Louisiana began to demonstrate biological thresholds.Average threshold values for taxa richness, diversity and abundance metrics were 2.6 and 2.3 mg/L for the invertebrate and fish assemblages, respectively. These thresholds are approximately twice the DO concentration that some native fish species are capable of tolerating and are comparable with DO criteria that have been recently applied to some coastal streams in Louisiana and Texas. DO minima >2.5 mg/L were favoured for all but extremely tolerant taxa. Extremely tolerant taxa had respiratory adaptations that gave them a competitive advantage, and their success when DO minima were <2 mg/L could be related more to reductions in competition or predation than to DO concentration directly.DO generally had an inverse relation to the amount of agriculture in the buffer area; however, DO concentrations at sites with both low and high amounts of agriculture (including three least-disturbed sites) declined to <2.5 mg/L. Thus, although DO fell below a concentration that was identified as an approximate biological threshold, sources of this condition were sometimes natural (allochthonous material) and had little relation to anthropogenic activity.

  15. Unveiling the nature of the He II λ4686 periodic minima in η Carinae

    NASA Astrophysics Data System (ADS)

    Teodoro, Mairan; Damineli, Augusto; Richardson, Noel; Moffat, Anthony F. J.; St-Jean, Lucas; Russell, Christopher Michael Post; Gull, Theodore R.; Madura, Thomas; Pollard, Karen; Walter, Frederick M.; Coimbra, Adriano; Prates, Rodrigo; Fernández-Lajús, Eduardo; gamen, roberto; Hickel, Gabriel; Henrique, William; Navarete, Felipe; Andrade, Thiago; Jablonski, Francisco; Corcoran, Michael F.; Hamaguchi, Kenji; Groh, Jose H.; Hillier, Desmond John; Gerd, Weigelt; SASER Team Members; Heathcote, Bernard; Luckas, Paul; Locke, Malcolm; Powles, Jonathan; Bohlsen, Terry

    2016-01-01

    η Carinae is known to be a massive binary system, but some of the orbital parameters remain uncertain. The nature of the periodic minima seen in several spectral features are associated with periastron passages near stellar conjunction, but its nature has been interpreted either as a low excitation event or as an eclipse of the hotter secondary star by the dense inner wind of the primary. We conducted an intense spectroscopic monitoring of the He II λ4686 emission line across the 2014.6 event using ground- and space-based telescopes. Comparison with results from the past two events confirmed the stability of the equivalent width and radial velocity of this line, as well as the strict periodicity of its minima. In combination with different other measurements, the orbital period is 2022.7 (±0.3) d. We adopted a power law model in combination with the total opacity in the line of sight to the apex of the wind-wind collision region obtained from hydrodynamic simulations to reproduce the observed He II λ4686 equivalent width curve. We constrained the orbital inclination to 135°-153° and the longitude of periastron to 234°-252°. Periastron passage occurred on T0(2014.6)=2456874.4 (±1.3) d. With these orbital elements, we successfully reproduced both the equivalent width curve observed from our direct view of the central source and the polar view. This suggests that the He II λ4686 minimum is ultimately caused by an increase in the opacity in the line of sight to the emitting region as the secondary star moves behind the primary star and plunges into denser regions of its wind.

  16. Atlantic forcing of Western Mediterranean winter rain minima during the last 12,000 years

    NASA Astrophysics Data System (ADS)

    Zielhofer, Christoph; Fletcher, William J.; Mischke, Steffen; De Batist, Marc; Campbell, Jennifer F. E.; Joannin, Sebastien; Tjallingii, Rik; El Hamouti, Najib; Junginger, Annett; Stele, Andreas; Bussmann, Jens; Schneider, Birgit; Lauer, Tobias; Spitzer, Katrin; Strupler, Michael; Brachert, Thomas; Mikdad, Abdeslam

    2017-02-01

    The limited availability of high-resolution continuous archives, insufficient chronological control, and complex hydro-climatic forcing mechanisms lead to many uncertainties in palaeo-hydrological reconstructions for the Western Mediterranean. In this study we present a newly recovered 19.63 m long core from Lake Sidi Ali in the North African Middle Atlas, a transition zone of Atlantic, Western Mediterranean and Saharan air mass trajectories. With a multi-proxy approach based on magnetic susceptibility, carbonate and total organic C content, core-scanning and quantitative XRF, stable isotopes of ostracod shells, charcoal counts, Cedrus pollen abundance, and a first set of diatom data, we reconstruct Western Mediterranean hydro-climatic variability, seasonality and forcing mechanisms during the last 12,000 yr. A robust chronological model based on AMS 14C dated pollen concentrates supports our high-resolution multi-proxy study. Long-term trends reveal low lake levels at the end of the Younger Dryas, during the mid-Holocene interval 6.6 to 5.4 cal ka BP, and during the last 3000 years. In contrast, lake levels are mostly high during the Early and Mid-Holocene. The record also shows sub-millennial- to centennial-scale decreases in Western Mediterranean winter rain at 11.4, 10.3, 9.2, 8.2, 7.2, 6.6, 6.0, 5.4, 5.0, 4.4, 3.5, 2.9, 2.2, 1.9, 1.7, 1.5, 1.0, 0.7, and 0.2 cal ka BP. Early Holocene winter rain minima are in phase with cooling events and millennial-scale meltwater discharges in the sub-polar North Atlantic. Our proxy parameters do not show so far a clear impact of Saharan air masses on Mediterranean hydro-climate in North Africa. However, a significant hydro-climatic shift at the end of the African Humid Period (∼5 ka) indicates a change in climate forcing mechanisms. The Late Holocene climate variability in the Middle Atlas features a multi-centennial-scale NAO-type pattern, with Atlantic cooling and Western Mediterranean winter rain maxima generally

  17. Coeval dust accumulation minima in Greenland and East Central Europe over 31-23 ka

    NASA Astrophysics Data System (ADS)

    Újvári, Gábor; Stevens, Thomas; Varga, György; Kovács, János; Molnár, Mihály

    2016-04-01

    with the bulk loess median grain size (D50bulk) that is considered an integrated proxy of wind strength, dust source distance, aridity and vegetation cover. While an increase of dust flux and D50bulk with time is apparent, such a trend cannot be seen in the quartz grain size measures (D50quartz). This observation may imply that wind speeds were relatively constant in the studied time interval, while the turbulence of the flow may have been extremely varying (i.e. strong/rapid changes in the frequency/magnitude of dust storm events). A striking feature of the MAR record is that accumulation minima in the Dunaszekcsö record are synchronous with the Greenland Interstadials (GI-5.1 to GI-3). Subsequent Ca2+ minima in the NGRIP record at 26.22 and 25.02 ka (b2k) are also coeval with the MAR minima in the studied loess sequence. At the same time, these patterns are barely visible in the bulk and quartz grain size records. We speculate that the synchronous changes in the NGRIP Ca2+ and the Dunaszekcsö MAR records are results of millennial scale variations in the activity of Northern Hemisphere dust emitting regions shown in two archives from different environments. The very similar timing of MAR minima (and also some of the maxima) suggest a rapid aeolian system response in East Central Europe to abrupt climatic changes in the North Atlantic. Although such a synchronicity does not prove a Central European dust source to Greenland, it is consistent with this possibility. This study was supported by the OTKA PD-108639 grant and the Bolyai János Research Fellowship (both to GÚ). [1] Dansgaard, W., et al. (1993). Evidence for general instability of past climate from a 250-kyr ice-core record. Nature 364, 218-220. [2] Johnsen, S.J., et al. (1992). Irregular glacial interstadials recorded in a new Greenland ice core. Nature 359, 311-313. [3] Rasmussen, S.O., et al. (2014). A stratigraphic framework for abrupt climatic changes during the Last Glacial period based on three

  18. Depth-dose equivalent relationship for cosmic rays at various solar minima

    NASA Technical Reports Server (NTRS)

    Badhwar, G. D.; Cucinotta, F. A.; O'Neill, P. M.

    1993-01-01

    Galactic cosmic rays (GCR) pose a serious radiation hazard for long-duration missions. In designing a lunar habitat or a Mars transfer vehicle, the radiation exposure determines the GCR shielding thickness, and hence the weight of spacecraft. Using the spherically symmetric diffusion theory of the solar modulation of GCR, and data on the differential energy spectra of H, He, O, and Fe, from 1965 to 1989, it has been shown that (1) the flux is determined by the diffusion parameter which is a function of the time in the solar cycle, and (2) the fluxes in the 1954 and 1976-1977 solar minima were similar and higher than those in 1965. In this paper, we have extended the spherical solar modulation theory back to 1954. The 1954-1955 GCR flux was nearly the same as that from 1976 to 1977; the 1965 flux values were nearly the same as those in 1986. Using this theory we have obtained the GCR spectra for all the nuclei, and calculated the depth dose as a function of Al thickness. It is shown that the shielding required to stay below 0.5 Sv is 17.5 -3/+8 g/sq cm of Al, and 9 -1.5/+5 g/sq cm to stay below 0.6 Sv. The calculated dose equivalent using the ICRP 60 values for quality factors is about 15 percent higher than that calculated using the ICRP 26 value.

  19. Synonymous Mutations and Ribosome Stalling Can Lead to Altered Folding Pathways and Distinct Minima

    PubMed Central

    Tsai, Chung-Jung; Sauna, Zuben E.; Kimchi-Sarfaty, Chava; Ambudkar, Suresh V.; Gottesman, Michael M.; Nussinov, Ruth

    2008-01-01

    How can we understand a case where a given amino acid sequence folds into structurally and functionally distinct molecules? Synonymous single-nucleotide polymorphisms (SNPs) in the multidrug resistance 1 (MDR1 or ABCB1) gene involving frequent to rare codon substitutions lead to identical protein sequences. Remarkably these alternative sequences give a protein product with similar but different structures and functions. Here we propose that long-enough ribosomal pause time-scales may lead to alternate folding pathways and distinct minima on the folding free energy surface. While the conformational and functional differences between the native and alternate states may be minor, the MDR1 case illustrates that the barriers may nevertheless constitute sufficiently high hurdles in physiological time-scales, leading to kinetically trapped states with altered structures and functions. Different folding pathways leading to conformationally-similar trapped states may be due to swapping of (fairly symmetric) segments. Domain swapping is more likely in the no-pause case where the chain elongates and folds simulaneously; on the other hand, sufficiently long pause times between such segments may be expected to lessen the chances of swapping events. Here, we review the literature in this light. PMID:18722384

  20. A gentic survey of Salvinia minima in the southern United States

    USGS Publications Warehouse

    Madeira, Paul T.; Jacono, Colette C.; Tipping, Phil; Van, Thai K.; Center, Ted D.

    2003-01-01

    The genetic relationships among 68 samples of Salvinia minima (Salviniaceae) were investigated using RAPD analysis. Neighbor joining, principle components, and AMOVA analyses were used to detect differences among geographically referenced samples within and outside of Florida. Genetic distances (Nei and Li) range up to 0.48, although most are under 0.30, still relatively high levels for an introduced, clonally reproducing plant. Despite the diversity AMOVA analysis yielded no indication that the Florida plants, as a group, were significantly different from the plants sampled elsewhere in its adventive, North American range. A single, genetically dissimilar population probably exists in the recent (1998) horticultural introduction to Mississippi. When the samples were grouped into 10 regional (but artificial) units and analyzed using AMOVA the between region variance was only 7.7%. Genetic similarity among these regions may indicate introduction and dispersal from common sources. The reduced aggressiveness of Florida populations (compared to other states) may be due to herbivory. The weevilCyrtobagous salviniae, a selective feeder, is found in Florida but not other states. The genetic similarity also suggests that there are no obvious genetic obstacles to the establishment or efficacy of C. salviniae as a biological control agent on S. minimaoutside of Florida.

  1. Ultrastructure of the Feeding Apparatus of Rhabdodemania minima Chitwood, 1936 (Enoplida: Rhabdodemaniidae)

    PubMed Central

    Hope, W. Duane

    1988-01-01

    The feeding apparatus of the marine nematode Rhabdodemania minima Chitwood, 1936 has been examined with light and transmission electron microscopy. The buccal capsule consists of a posterior region with smooth walls bearing three sets of three minute denticles at its posterior end and three large onchia in its mid region; a middle region with grooved walls; and an anterior region with costae and six odontia. The anterior and middle portions of the buccal capsule are enveloped by the cephalic cuticle, whereas the posterior region, which is set off from the middle region by a buccal seam, is partially enveloped by the anterior end of the esophagus. Two subventral esophageal glands open into the lumen of the esophagus. Secretions of each of three paraesophageal glands are conveyed through a duct in each of the three corresponding corners of the buccal wall to an opening between labia. A pair of wing-like thickenings, termed pterons, embraces the duct of each paraesophageal gland in the posterior and middle regions of the buccal capsule. A model of how the buccal capsule operates is proposed and tested. Morphological and functional aspects of the buccal apparatus and cephalic cuticle are compared with those of other taxa of the Enoplida, and their phylogenetic implications are discussed. PMID:19290194

  2. Identity of Ṭaṅkārī (Physalis Minima Linn.) in Ayurvedic Classics: A Literature Review

    PubMed Central

    Kallianpur, Supriya S; Gokarn, Rohit A; Rajashekhar, N

    2016-01-01

    Proper identification of drugs and their use in proper doses are important for successful treatment. Physalis minima Linn commonly known as country gooseberry has anti-cancerous, anti-diabetic, analgesic, antipyretic and anti-inflammatory potentials. The present paper is aimed to ascertain the proper identity of Ṭaṅkārī (Physalis minima Linn.) in Ayurvedic classics by a meticulous search and hence a review of the drug Ṭaṅkārī (Physalis minima Linn) was carried out in the texts of Ayurveda, modern literature, journals and online publications. The result of the search showed that the name “Ṭaṅkārī” is not found in Vedic lore. In Saṃhitās, it is mentioned in Bhāvaprakāśa. Reference of the drug “Śārṅgeṣṭhā” is found in Bṛhattrayī, Bhela, Kāśyapa, Cakradatta and Vaṅgasena. It is variously named as Cirapoṭikā, Kākatikta, and Vāyasī by ḍalhaṇa and he describes it as gaura (pale), vartula (round), and as having avaguṇṭhita/veṣṭhita (covered) fruit which matches the description of Ṭaṅkārī (P. minima Linn). A search for terms Kākatikta and Vāyasī showed Kākatikta to be synonymous to Śārṅgeṣṭhā and Vāyasī to be synonymous to both Kākatikta and Kākamācī (Solanum nigrum). Madanapāla and Śāligrāma Nighaṇṭus have mentioned the name Cirapoṭikā to be synonymous with Ṭaṅkārī. Śodhala has used the term Parpoṭī as a synonym of Ṭaṅkārī, which is the Gujarati name of P. minima Linn. Recent authors have considered Śārṅgeṣṭhā as either P. minima or Cardiospermum helicabum. The regional names of P. minima are Cirpoṭi (Hindi), Cirboli (Marathi), also the folklore uses and pharmacological activities of P. minima are in accordance with the indications of Śārṅgeṣṭhā in classics. Thus with a complete review of both Ayurveda and modern literatures, it can be concluded that the drug mentioned as Ṭaṅkārī in Bhāvaprakāśa is the same as

  3. Identity of Ṭaṅkārī (Physalis Minima Linn.) in Ayurvedic Classics: A Literature Review.

    PubMed

    Kallianpur, Supriya S; Gokarn, Rohit A; Rajashekhar, N

    2016-01-01

    Proper identification of drugs and their use in proper doses are important for successful treatment. Physalis minima Linn commonly known as country gooseberry has anti-cancerous, anti-diabetic, analgesic, antipyretic and anti-inflammatory potentials. The present paper is aimed to ascertain the proper identity of Ṭaṅkārī (Physalis minima Linn.) in Ayurvedic classics by a meticulous search and hence a review of the drug Ṭaṅkārī (Physalis minima Linn) was carried out in the texts of Ayurveda, modern literature, journals and online publications. The result of the search showed that the name "Ṭaṅkārī" is not found in Vedic lore. In Saṃhitās, it is mentioned in Bhāvaprakāśa. Reference of the drug "Śārṅgeṣṭhā" is found in Bṛhattrayī, Bhela, Kāśyapa, Cakradatta and Vaṅgasena. It is variously named as Cirapoṭikā, Kākatikta, and Vāyasī by ḍalhaṇa and he describes it as gaura (pale), vartula (round), and as having avaguṇṭhita/veṣṭhita (covered) fruit which matches the description of Ṭaṅkārī (P. minima Linn). A search for terms Kākatikta and Vāyasī showed Kākatikta to be synonymous to Śārṅgeṣṭhā and Vāyasī to be synonymous to both Kākatikta and Kākamācī (Solanum nigrum). Madanapāla and Śāligrāma Nighaṇṭus have mentioned the name Cirapoṭikā to be synonymous with Ṭaṅkārī. Śodhala has used the term Parpoṭī as a synonym of Ṭaṅkārī, which is the Gujarati name of P. minima Linn. Recent authors have considered Śārṅgeṣṭhā as either P. minima or Cardiospermum helicabum. The regional names of P. minima are Cirpoṭi (Hindi), Cirboli (Marathi), also the folklore uses and pharmacological activities of P. minima are in accordance with the indications of Śārṅgeṣṭhā in classics. Thus with a complete review of both Ayurveda and modern literatures, it can be concluded that the drug mentioned as Ṭaṅkārī in Bhāvaprakāśa is the same as

  4. Short-Term Variations of Cosmic-Ray Intensity During the Recent Deep Solar Minimum and the Previous Four Solar Minima: A Wavelet Analysis

    NASA Astrophysics Data System (ADS)

    Singh, Y. P.; Badruddin

    2015-10-01

    The recent, unusual solar cycle and solar minima between Cycles 23 and 24 have been studied extensively. Wavelet analysis of hourly cosmic-ray intensity during the last five solar minima reveals a number of short-term variations with few temporal shifts in the periods. This study suggests that deviations with a one-solar-rotation period and its harmonics are small during the recent minimum. However, deviations are considerably larger during the other minima. Analysis also demonstrates that the behavior of active regions is nearly the same during the minima of Cycles 19, 20, 21, and 22. The results also suggest that regions outside the streamer stalk are significantly larger in the recent solar minimum as opposed to the other minima.

  5. Mitigating local minima in full-waveform inversion by expanding the search space

    NASA Astrophysics Data System (ADS)

    van Leeuwen, Tristan; Herrmann, Felix J.

    2013-10-01

    Wave equation based inversions, such as full-waveform inversion and reverse-time migration, are challenging because of their computational costs, memory requirements and reliance on accurate initial models. To confront these issues, we propose a novel formulation of wave equation based inversion based on a penalty method. In this formulation, the objective function consists of a data-misfit term and a penalty term, which measures how accurately the wavefields satisfy the wave equation. This new approach is a major departure from current formulations where forward and adjoint wavefields, which both satisfy the wave equation, are correlated to compute updates for the unknown model parameters. Instead, we carry out the inversions over two alternating steps during which we first estimate the wavefield everywhere, given the current model parameters, source and observed data, followed by a second step during which we update the model parameters, given the estimate for the wavefield everywhere and the source. Because the inversion involves both the synthetic wavefields and the medium parameters, its search space is enlarged so that it suffers less from local minima. Compared to other formulations that extend the search space of wave equation based inversion, our method differs in several aspects, namely (i) it avoids storage and updates of the synthetic wavefields because we calculate these explicitly by finding solutions that obey the wave equation and fit the observed data and (ii) no adjoint wavefields are required to update the model, instead our updates are calculated from these solutions directly, which leads to significant computational savings. We demonstrate the validity of our approach by carefully selected examples and discuss possible extensions and future research.

  6. Comparative study of the equatorial ionosphere over Jicamarca during recent two solar minima

    NASA Astrophysics Data System (ADS)

    Liu, Libo; Yang, Jun; Le, Huijun; Chen, Yiding; Wan, Weixing; Lee, Chien-Chih

    2012-01-01

    It is a critical issue that whether or not the extremely deep solar minimum of solar cycle 23/24 brought serious influences on the Earth's space environment. In this study, we collected and manually scaled the ionograms recorded by a DPS ionosonde at Jicamarca (12.0°S, 283.2°E) to retrieve F layer parameters and electron density (Ne) profiles. A comparative study is performed to evaluate the equatorial ionosphere in solar minima of cycle 22/23 (1996-1997) and 23/24 (2008-2009). The seasonal median values of the critical frequency of F2 layer (foF2) were remarkably reduced in four seasons during the deep solar minimum, compared to those in 1996-1997. It is the first time to find that lower values prevail at most times in 2008-2009 in the F2 layer peak height (hmF2) and Chapman scale height (Hm). The bottomside profile thickness (B0) shows higher values in 2008-2009 than that in 1996-1997 at some daytime intervals, although it also becomes smaller during the rest times. Furthermore, the ionosphere in 2008-2009 is contracted strongly at altitudes above hmF2 and more perceptible in the afternoon hours. The decrease in Ne is strongest in September equinox and weakest in June solstice. The ionospheric responses from solar minimum to minimum are mainly caused by the reduction in solar extreme ultraviolet intensity, and the contribution from dynamical processes competes and is variable. Analysis reveals that semiannual and longer-scale components are certainly reduced during the deep solar minimum, while shorter scale (e.g., 4 month) components may disrupt the decline picture at some times.

  7. Spectroscopic Evidence of Sporadic Gas Accretion onto the Herbig AE Stars with Non-Periodic Algol-Type Minima

    NASA Astrophysics Data System (ADS)

    Kozlova, O. V.; Grinin, V. P.; Rostopchina, A. N.

    We present the results of simultaneous spectroscopic and photometric observations for six isolated Herbig Ae stars with non-periodic Algol-like minima: UX Ori, BF Ori, CQ Tau, SV Cep, VX Gas, and WW Vul. In all cases the Ha line has the profile typical for axially symmetric accretion. In the spectra of five stars (CQ Tau is the exception) the strong He I 5876 Å line has been observed in absorption which is not typical of normal A stars. In three cases: UX Ori, VX Cas, and WW Vul, variability of this line is found. We did not observe any correlation between the strength of this line and the brightness of the stars. These observational facts are considered as evidence for gas accretion, which is probably an important property of young stars with non-periodic Algol-type minima.

  8. Quantum Dynamics Study of the Potential Energy Minima Effect on Energy Efficiency for the F(-) + CH3Cl → FCH3 + Cl(-) Reaction.

    PubMed

    Li, Yida; Wang, Yuping; Wang, Dunyou

    2017-04-13

    The Polanyi rules on the energy efficiency on reactivity are summarized solely from the locations of barriers on the potential energy surfaces. Here, our quantum dynamics study for the F(-) + CH3Cl → FCH3 + Cl(-) reaction shows that the two potential energy minima in the entrance channel on the potential energy surface play an essential role in energy efficiency on reactivity. The reactivity of this reaction is dominated by the low collision energies where two distinctive reaction mechanisms involve the two minima in the entrance channel. Overall, the Cl-CH3 stretching motion and C-H3 umbrella motion both are more efficient than the translational motion in promoting this reaction. Although this reaction has a negative energy barrier, our study shows that it is the minima in the entrance channel, together with the energy barrier relative to these minima, that determine the energy efficacy on reactivity.

  9. The adventive status of Salvinia minima and S. molestain the southern United States and the related distribution of the weevil Cyrtobagous salviniae

    USGS Publications Warehouse

    Jacono, Colette C.; Davern, Tracy R.; Center, Ted D.

    2001-01-01

    The recent introduction of Salvinia molesta constitutes a serious threat to aquatic systems in the warm temperate regions of the United States. Salvinia minima, the only other member of Salviniaceae present in North America, is considered native by current floras. Evidence is presented which suggests that Salvinia minima was also introduced to North America, probably during the late 1920s and early 1930s. Likely sites of introduction and subsequent range expansions are identified. The accidentally introduced salvinia weevil, putatively Cyrtobagous salviniae, was found to occur widely on S. minima in Florida but is not established in other states. The disparate distribution of this Salvinia herbivore may account for the reduced aggressiveness of S. minima in Florida as compared to its troublesome growth in Texas and LOUisiana, where the weevil is not yet known.

  10. A novel approach to decoy set generation: designing a physical energy function having local minima with native structure characteristics.

    PubMed

    Keasar, Chen; Levitt, Michael

    2003-05-23

    We suggest a new approach to the generation of candidate structures (decoys) for ab initio prediction of protein structures. Our method is based on random sampling of conformation space and subsequent local energy minimization. At the core of this approach lies the design of a novel type of energy function. This energy function has local minima with native structure characteristics and wide basins of attraction. The current work presents our motivation for deriving such an energy function and also tests the derived energy function. Our approach is novel in that it takes advantage of the inherently rough energy landscape of proteins, which is generally considered a major obstacle for protein structure prediction. When local minima have wide basins of attraction, the protein's conformation space can be greatly reduced by the convergence of large regions of the space into single points, namely the local minima corresponding to these funnels. We have implemented this concept by an iterative process. The potential is first used to generate decoy sets and then we study these sets of decoys to guide further development of the potential. A key feature of our potential is the use of cooperative multi-body interactions that mimic the role of the entropic and solvent contributions to the free energy. The validity and value of our approach is demonstrated by applying it to 14 diverse, small proteins. We show that, for these proteins, the size of conformation space is considerably reduced by the new energy function. In fact, the reduction is so substantial as to allow efficient conformational sampling. As a result we are able to find a significant number of near-native conformations in random searches performed with limited computational resources.

  11. Comparison of PSF maxima and minima of multiple annuli coded aperture (MACA) and complementary multiple annuli coded aperture (CMACA) systems

    NASA Astrophysics Data System (ADS)

    Ratnam, Challa; Lakshmana Rao, Vadlamudi; Lachaa Goud, Sivagouni

    2006-10-01

    In the present paper, and a series of papers to follow, the Fourier analytical properties of multiple annuli coded aperture (MACA) and complementary multiple annuli coded aperture (CMACA) systems are investigated. First, the transmission function for MACA and CMACA is derived using Fourier methods and, based on the Fresnel-Kirchoff diffraction theory, the formulae for the point spread function are formulated. The PSF maxima and minima are calculated for both the MACA and CMACA systems. The dependence of these properties on the number of zones is studied and reported in this paper.

  12. Thermodynamic properties of supercritical n-m Lennard-Jones fluids and isochoric and isobaric heat capacity maxima and minima.

    PubMed

    Mairhofer, Jonas; Sadus, Richard J

    2013-10-21

    Molecular dynamics simulations are reported for the thermodynamic properties of n-m Lennard-Jones fluids, where n = 10 and 12, and m = 5 and 6. Results are reported for the thermal expansion coefficient, isothermal and adiabatic compressibilities, isobaric and isochoric heat capacities, Joule-Thomson coefficient, and speed of sound at supercritical conditions covering a wide range of fluid densities. The thermodynamic criteria for maxima∕minima in the isochoric and isobaric heat capacities are identified and the simulation results are also compared with calculations from Lennard-Jones equations of state. The Johnson et al. [Mol. Phys. 78, 591 (1993)] equation of state can be used to reproduce all heat capacity phenomena reported [T. M. Yigzawe and R. J. Sadus, J. Chem. Phys. 138, 194502 (2013)] from molecular dynamics simulations for the 12-6 Lennard-Jones potential. Significantly, these calculations and molecular dynamics results for other n-m Lennard-Jones potentials support the existence of Cp minima at supercritical conditions. The values of n and m also have a significant influence on many other thermodynamic properties.

  13. Biosynthesis of lead nanoparticles by the aquatic water fern, Salvinia minima Baker, when exposed to high lead concentration.

    PubMed

    Castro-Longoria, E; Trejo-Guillén, K; Vilchis-Nestor, A R; Avalos-Borja, M; Andrade-Canto, S B; Leal-Alvarado, D A; Santamaría, J M

    2014-02-01

    Salvinia minima Baker is a small floating aquatic fern that is efficient for the removal and storage of heavy metals such as lead and cadmium. In this study, we report that lead removal by S. minima causes large accumulation of lead inside the cells in the form of nanoparticles (PbNPs). The accumulation pattern of lead was analyzed in both, submerged root-like modified fronds (here named "roots"), and in its aerial leaf-like fronds ("leaves"). Analysis by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM) and high resolution transmission electron microscopy (HRTEM) confirmed the biosynthesis of PbNPs by the plant. In both, roots and leaves, PbNPs were found to accumulate almost exclusively at the cell wall and closely associated to the cell membrane. Two types of PbNPs shapes were found in cells of both tissues, those associated to the cell wall were quasi-spherical with 17.2±4.2 nm of diameter, while those associated to the cell membrane/cytoplasm were elongated. Elongated particles were 53.7±29.6 nm in length and 11.1±2.4 nm wide. Infrared spectroscopy (IR) results indicate that cellulose, lignin and pectin are the major components that may be acting as the reducing agents for lead ions; these findings strongly suggest the potential use of this fern to further explore the bio-assisted synthesis of heavy metal nanostructures.

  14. Thermodynamic properties of supercritical n-m Lennard-Jones fluids and isochoric and isobaric heat capacity maxima and minima

    NASA Astrophysics Data System (ADS)

    Mairhofer, Jonas; Sadus, Richard J.

    2013-10-01

    Molecular dynamics simulations are reported for the thermodynamic properties of n-m Lennard-Jones fluids, where n = 10 and 12, and m = 5 and 6. Results are reported for the thermal expansion coefficient, isothermal and adiabatic compressibilities, isobaric and isochoric heat capacities, Joule-Thomson coefficient, and speed of sound at supercritical conditions covering a wide range of fluid densities. The thermodynamic criteria for maxima/minima in the isochoric and isobaric heat capacities are identified and the simulation results are also compared with calculations from Lennard-Jones equations of state. The Johnson et al. [Mol. Phys. 78, 591 (1993)] equation of state can be used to reproduce all heat capacity phenomena reported [T. M. Yigzawe and R. J. Sadus, J. Chem. Phys. 138, 194502 (2013)] from molecular dynamics simulations for the 12-6 Lennard-Jones potential. Significantly, these calculations and molecular dynamics results for other n-m Lennard-Jones potentials support the existence of Cp minima at supercritical conditions. The values of n and m also have a significant influence on many other thermodynamic properties.

  15. Methanolic Extract of Ceplukan Leaf (Physalis minima L.) Attenuates Ventricular Fibrosis through Inhibition of TNF-α in Ovariectomized Rats

    PubMed Central

    Lestari, Bayu; Permatasari, Nur; Rohman, Mohammad Saifur

    2016-01-01

    The increase of heart failure prevalence on menopausal women was correlated with the decrease of estrogen level. The aim of this study is to investigate the effects of ceplukan leaf (Physalis minima L.), which contains phytoestrogen physalin and withanolides, on ventricular TNF-α level and fibrosis in ovariectomized rats. Wistar rats were divided into six groups (control (—); OVX 5: 5-week ovariectomy (OVX); OVX 9: 9-week ovariectomy; treatments I, II, and III: 9-weeks OVX + 4-week ceplukan leaf's methanolic extract doses 500, 1500, and 2500 mg/kgBW, resp.). TNF-α levels were measured with ELISA. Fibrosis was counted as blue colored tissues percentage using Masson's Trichrome staining. This study showed that prolonged hypoestrogen increases ventricular fibrosis (p < 0.05). Ceplukan leaf treatment also resulted in a decrease of ventricular fibrosis and TNF-α level in dose dependent manner compared to without treatment group (p < 0.05). Furthermore, the TNF-α level was normalized in 2500 mg/kgBW Physalis minima L. (p < 0.05) treatment. The reduction of fibrosis positively correlated with TNF-α level (p < 0.05, r = 0.873). Methanolic extract of ceplukan leaf decreases ventricular fibrosis through the inhibition of ventricular TNF-α level in ovariectomized rats. PMID:26941790

  16. Methanolic Extract of Ceplukan Leaf (Physalis minima L.) Attenuates Ventricular Fibrosis through Inhibition of TNF-α in Ovariectomized Rats.

    PubMed

    Lestari, Bayu; Permatasari, Nur; Rohman, Mohammad Saifur

    2016-01-01

    The increase of heart failure prevalence on menopausal women was correlated with the decrease of estrogen level. The aim of this study is to investigate the effects of ceplukan leaf (Physalis minima L.), which contains phytoestrogen physalin and withanolides, on ventricular TNF-α level and fibrosis in ovariectomized rats. Wistar rats were divided into six groups (control (-); OVX 5: 5-week ovariectomy (OVX); OVX 9: 9-week ovariectomy; treatments I, II, and III: 9-weeks OVX + 4-week ceplukan leaf's methanolic extract doses 500, 1500, and 2500 mg/kgBW, resp.). TNF-α levels were measured with ELISA. Fibrosis was counted as blue colored tissues percentage using Masson's Trichrome staining. This study showed that prolonged hypoestrogen increases ventricular fibrosis (p < 0.05). Ceplukan leaf treatment also resulted in a decrease of ventricular fibrosis and TNF-α level in dose dependent manner compared to without treatment group (p < 0.05). Furthermore, the TNF-α level was normalized in 2500 mg/kgBW Physalis minima L. (p < 0.05) treatment. The reduction of fibrosis positively correlated with TNF-α level (p < 0.05, r = 0.873). Methanolic extract of ceplukan leaf decreases ventricular fibrosis through the inhibition of ventricular TNF-α level in ovariectomized rats.

  17. Biosynthesis of gold nanoparticles by the living freshwater diatom Eolimna minima, a species developed in river biofilms.

    PubMed

    Feurtet-Mazel, Agnès; Mornet, Stéphane; Charron, Laëtitia; Mesmer-Dudons, Nathalie; Maury-Brachet, Régine; Baudrimont, Magalie

    2016-03-01

    Testing biotransformation capacities of living aquatic microalgae diatoms to naturally synthetize gold nanoparticles (AuNP) from gold salts and assessing aftereffects on their viability by microscope observations is a great challenge. In this work, a laboratory experiment was conducted, which aimed to observe (i) directly by transmission electronic and light microscopy and (ii) through indirect measurements (UV-visible spectroscopy) the periphytic freshwater diatom Eolimna minima exposed to gold salts. This work revealed the capacity of E. minima to intracellularly biosynthetize AuNP and to tolerate it. AuNP synthesis appears as a mechanism of detoxification to protect diatom from gold salt contamination. We also pointed out the risks associated with the spread of diatoms full of AuNP, through the trophic web of freshwater ecosystems. The preponderant part of the diatoms in natural biofilms associated with their position at the basis of the trophic webs in rivers could then make them responsible for the contamination of their consumers (grazer animals) and consequently for the potential release of AuNP through the entire food web.

  18. Capacity of the aquatic fern (Salvinia minima Baker) to accumulate high concentrations of nickel in its tissues, and its effect on plant physiological processes.

    PubMed

    Fuentes, Ignacio I; Espadas-Gil, Francisco; Talavera-May, Carlos; Fuentes, Gabriela; Santamaría, Jorge M

    2014-10-01

    An experiment was designed to assess the capacity of Salvinia minima Baker to uptake and accumulate nickel in its tissues and to evaluate whether or not this uptake can affect its physiology. Our results suggest that S. minima plants are able to take up high amounts of nickel in its tissues, particularly in roots. In fact, our results support the idea that S. minima might be considered a hyper-accumulator of nickel, as it is able to accumulate 16.3 mg g(-1) (whole plant DW basis). Our results also showed a two-steps uptake pattern of nickel, with a fast uptake of nickel at the first 6 to 12h of being expose to the metal, followed by a slow take up phase until the end of the experiment at 144 h. S. minima thus, may be considered as a fern useful in the phytoremediation of residual water bodies contaminated with this metal. Also from our results, S. minima can tolerate fair concentrations of the metal; however, at concentrations higher than 80 μM Ni (1.5 mg g(-1) internal nickel concentration), its physiological performance can be affected. For instance, the integrity of cell membranes was affected as the metal concentration and exposure time increased. The accumulation of high concentrations of internal nickel did also affect photosynthesis, the efficiency of PSII, and the concentration of photosynthetic pigments, although at a lower extent.

  19. Interference minima effect of high-order harmonic generation from H2+ with different full width at half maximum

    NASA Astrophysics Data System (ADS)

    Pan, Xue-Fei; Zhang, Jun; Du, Hui; Liu, Hai-Feng; Zhang, Hong-Dan; Liu, Xue-Shen

    2017-01-01

    We investigate the effect of the interference minima of the high-order harmonic generation (HHG) in H2+ molecule with varying the full width at half maximum (FWHM) of the laser field by solving the one-dimensional (1D) time-dependent Schrödinger equation (TDSE) within the non-Born-Oppenheimer approximation. The numerical results show that the probability of the electron recombined with the two nuclei is different with the variation of the FWHM. The HHG spectrum of H2+ molecule is separated into two parts according to the electronic coordinate z (z > 0 and z < 0), which illustrate the contributions of the two nuclei to the harmonic generation. In addition, we investigate the time-evolution electron wave packet distributions to illustrate the underlying physical mechanism.

  20. Qualitative and quantitative analysis of chemical constituents of Centipeda minima by HPLC-QTOF-MS & HPLC-DAD.

    PubMed

    Chan, Chi-On; Jin, Deng-Ping; Dong, Nai-Ping; Chen, Si-Bao; Mok, Daniel Kam Wah

    2016-06-05

    A high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC-QTOF-MS) method in both positive and negative ion modes was established to investigate the major constituents in the ethanolic extract of Centipeda minima (EBSC). Twelve common components including flavones and their glycosides, phenolic and polyphenolic acids, and sesquiterpene lactone were identified in ten batches of samples based on comparison with the retention time and accurate mass of external standards (mass accuracy within 3ppm) or the fragmentation patterns of tandem MS. Meanwhile, a simple, accurate and reliable HPLC-DAD method was also developed to determine the content of 10 chemical markers simultaneously. Results obtained from method validations including linearity, accuracy and precision showed that this new method is reliable and robust. Isochlorogenic acid A and brevilin A were found to be the most abundant in the ethanol extract of EBSC and could be served as markers for quality control of EBSC.

  1. 13,14-seco-Withanolides from Physalis minima with Potential Anti-inflammatory Activity.

    PubMed

    Lin, Ru; Guan, Yu-Zhou; Li, Rui-Jun; Xu, Xiao-Ming; Luo, Jian-Guang; Kong, Ling-Yi

    2016-07-01

    Four new 13,14-seco-withanolides, minisecolides A - D (1 - 4), together with three known analogues 5 - 7, were isolated from the whole plants of Physalis minima. The structures of new compounds were determined on the basis of spectroscopic analysis, including (1) H-, (13) C-NMR, 2D-NMR (HMBC, HSQC, ROESY), and HR-ESI-MS. Evaluation of all isolates for their inhibitory effects on nitric oxide (NO) production was conducted on lipopolysaccaride-activated RAW264.7 macrophages. Compounds 2, 3, 5, and 6 showed inhibitory activities, especially for compound 5 with IC50 value of 3.87 μm.

  2. Differential Expression of Antioxidant Enzymes During Degradation of Azo Dye Reactive black 8 in Hairy roots of Physalis minima L.

    PubMed

    Jha, Pamela; Modi, Nikita; Jobby, Renitta; Desai, Neetin

    2015-01-01

    The enzymes involved in the protection of plant metabolism in presence of azo dye was characterized by studying activities of the role of antioxidant enzymes in the hairy roots (HRs) of Physalis minima L. during degradation of an azo dye, Reactive Black 8 (RB8). When the HRs were exposed to RB8 (30 mg L(-1)), a  nine fold increase in SOD activity was observed after 24 h, while 22 and 50 fold increase in activity was observed for POX and APX respectively after 72 h, whereas there was no significant change in activity of CAT. The activation of different antioxidant enzymes at different time intervals under dye stress suggests the synchronized functioning of antioxidant machinery to protect the HRs from oxidative damage. FTIR analysis confirmed the degradation of dye and the non-toxic nature of metabolites formed after dye degradation was confirmed by phytotoxicity study.

  3. Study of minima of the fluctuations of the order parameter of seismicity using GCMT catalogue in global scale.

    NASA Astrophysics Data System (ADS)

    Christopoulos, Stavros-Richard G.; Sarlis, Nicholas V.; Skordas, Efthimios S.

    2016-04-01

    It has been recently shown [1,2] that earthquakes of magnitude M greater or equal to 7 are globally correlated. The identification of this correlation became possible when studying the variance κ1 of natural time which has been proposed as an order parameter for seismicity[3,4]. In the present study, we focus on the behaviour of the fluctuations of κ1 before major earthquakes using the Global Centroid Moment Tensor catalogue for a magnitude threshold Mthres=5.0 as in Ref.[5]. Natural time analysis reveals that distinct minima of the fluctuations κ1of seismicity appear within almost five and a half months on average before all major earthquakes of magnitude larger than M8.4. This phenomenon corroborates the recent finding [6] that similar minima of seismicity order parameter fluctuations had been observed before all major shallow earthquakes in Japan. Finally, we examine the statistical significance of the results by using ROC graphs [7,8] and the proposed prediction method has a p-value to occur by chance well below 0.1%. The hit rate is 100% with a false alarm rate only 6.67%. An attempt to lower the target earthquake magnitude threshold will be also presented. REFERENCES [1] N. V. Sarlis, Phys. Rev. E 84, 022101 (2011). [2] N. V. Sarlis and S.-R. G. Christopoulos, Chaos 22, 023123 (2012) [3] P. A. Varotsos, N. V. Sarlis, and E. S. Skordas, Practica of Athens Acad. 76, 294 (2001). [4] P. A. Varotsos, N. V. Sarlis, and E. S. Skordas, Phys. Rev. E 66, 011902 (2002). [5] N.V. Sarlis, S.-R. G. Christopoulos, and E. S. Skordas, Chaos 25, 063110 (2015) [6] N. V. Sarlis et al., Proc. Natl. Acad. Sci. U.S.A. 110, 13734 (2013) [7] T. Fawcett, Pattern Recognit. Lett. 27, 861 (2006). [8] N. V. Sarlis and S.-R. G. Christopoulos, Comput. Phys. Commun. 185, 1172 (2014).

  4. 3D ELECTRON DENSITY DISTRIBUTIONS IN THE SOLAR CORONA DURING SOLAR MINIMA: ASSESSMENT FOR MORE REALISTIC SOLAR WIND MODELING

    SciTech Connect

    Patoul, Judith de; Foullon, Claire; Riley, Pete E-mail: c.foullon@exeter.ac.uk

    2015-11-20

    Knowledge of the electron density distribution in the solar corona put constraints on the magnetic field configurations for coronal modeling and on initial conditions for solar wind modeling. We work with polarized SOHO/LASCO-C2 images from the last two recent minima of solar activity (1996–1997 and 2008–2010), devoid of coronal mass ejections. The goals are to derive the 4D electron density distributions in the corona by applying a newly developed time-dependent tomographic reconstruction method and to compare the results between the two solar minima and with two magnetohydrodynamic models. First, we confirm that the values of the density distribution in thermodynamic models are more realistic than in polytropic ones. The tomography provides more accurate distributions in the polar regions, and we find that the density in tomographic and thermodynamic solutions varies with the solar cycle in both polar and equatorial regions. Second, we find that the highest-density structures do not always correspond to the predicted large-scale heliospheric current sheet or its helmet streamer but can follow the locations of pseudo-streamers. We deduce that tomography offers reliable density distributions in the corona, reproducing the slow time evolution of coronal structures, without prior knowledge of the coronal magnetic field over a full rotation. Finally, we suggest that the highest-density structures show a differential rotation well above the surface depending on how they are magnetically connected to the surface. Such valuable information on the rotation of large-scale structures could help to connect the sources of the solar wind to their in situ counterparts in future missions such as Solar Orbiter and Solar Probe Plus.

  5. A phenomenological study of the timing of solar activity minima of the last millennium through a physical modeling of the Sun-Planets Interaction

    NASA Astrophysics Data System (ADS)

    Cionco, Rodolfo Gustavo; Soon, Willie

    2015-01-01

    We numerically integrate the Sun’s orbital movement around the barycenter of the solar system under the persistent perturbation of the planets from the epoch J2000.0, backward for about one millennium, and forward for another millennium to 3000 AD. Under the Sun-Planets Interaction (SPI) framework and interpretation of Wolff and Patrone (2010), we calculated the corresponding variations of the most important storage of the specific potential energy (PE) within the Sun that could be released by the exchanges between two rotating, fluid-mass elements that conserve its angular momentum. This energy comes about as a result of the roto-translational dynamics of the cell around the solar system barycenter. We find that the maximum variations of this PE storage correspond remarkably well with the occurrences of well-documented Grand Minima (GM) solar events throughout the available proxy solar magnetic activity records for the past 1000 yr. It is also clear that the maximum changes in PE precede the GM events in that we can identify precursor warnings to the imminent weakening of solar activity for an extended period. The dynamical explanation of these PE minima is connected to the minima of the Sun’s position relative to the barycenter as well as the significant amount of time the Sun’s inertial motion revolving near and close to the barycenter. We presented our calculation of PE forward by another 1000 yr until 3000 AD. If the assumption of the solar activity minima corresponding to PE minima is correct, then we can identify quite a few significant future solar activity GM events with a clustering of PE minima pulses starting at around 2150 AD, 2310 AD, 2500 AD, 2700 AD and 2850 AD.

  6. A Change in the Solar He II EUV Global Network Structure as an Indicator of the Geo-Effectiveness of Solar Minima

    NASA Technical Reports Server (NTRS)

    Didkovsky, L.; Gurman, J. B.

    2013-01-01

    Solar activity during 2007 - 2009 was very low, causing anomalously low thermospheric density. A comparison of solar extreme ultraviolet (EUV) irradiance in the He II spectral band (26 to 34 nm) from the Solar Extreme ultraviolet Monitor (SEM), one of instruments on the Charge Element and Isotope Analysis System (CELIAS) on board the Solar and Heliospheric Observatory (SOHO) for the two latest solar minima showed a decrease of the absolute irradiance of about 15 +/- 6 % during the solar minimum between Cycles 23 and 24 compared with the Cycle 22/23 minimum when a yearly running-mean filter was used. We found that some local, shorter-term minima including those with the same absolute EUV flux in the SEM spectral band show a higher concentration of spatial power in the global network structure from the 30.4 nm SOHO/Extreme ultraviolet Imaging Telescope (EIT) images for the local minimum of 1996 compared with the minima of 2008 - 2011.We interpret this higher concentration of spatial power in the transition region's global network structure as a larger number of larger-area features on the solar disk. These changes in the global network structure during solar minima may characterize, in part, the geo-effectiveness of the solar He II EUV irradiance in addition to the estimations based on its absolute levels.

  7. Paravannella minima n. g. n. sp. (Discosea, Vannellidae) and distinction of the genera in the vannellid amoebae.

    PubMed

    Kudryavtsev, Alexander

    2014-06-01

    Paravannella minima n. g. n. sp. (Amoebozoa, Vannellidae) isolated from a freshwater aquarium, possesses all light-microscopic and ultrastructural characteristics of the genus Vannella, being one of the smallest species among the vannellid amoebae (cell size during locomotion usually between 4.5 and 10μm). At the same time, sequence analysis of the genes encoding for nuclear SSU rRNA, actin and mitochondrial Cox1 shows this species as the earliest-branching vannellid that appears to be sister to the rest of this clade. This is correlated with the presence of some plesiomorphic characters; in particular, the secondary structure of the hypervariable helices E23-1-E23-7 in the studied species is shared with Vannella and most of the genera of Dactylopodida. The cell coat structure of the studied species corresponds to the hypothesis that vannellid amoebae were ancestrally enclosed in a cell coat consisting of pentagonal glycostyles that have undergone multiple independent losses in various clades of Vannellidae.

  8. Signatures of the Primordial Universe from Its Emptiness: Measurement of Baryon Acoustic Oscillations from Minima of the Density Field

    NASA Astrophysics Data System (ADS)

    Kitaura, Francisco-Shu; Chuang, Chia-Hsun; Liang, Yu; Zhao, Cheng; Tao, Charling; Rodríguez-Torres, Sergio; Eisenstein, Daniel J.; Gil-Marín, Héctor; Kneib, Jean-Paul; McBride, Cameron; Percival, Will J.; Ross, Ashley J.; Sánchez, Ariel G.; Tinker, Jeremy; Tojeiro, Rita; Vargas-Magana, Mariana; Zhao, Gong-Bo

    2016-04-01

    Sound waves from the primordial fluctuations of the Universe imprinted in the large-scale structure, called baryon acoustic oscillations (BAOs), can be used as standard rulers to measure the scale of the Universe. These oscillations have already been detected in the distribution of galaxies. Here we propose to measure BAOs from the troughs (minima) of the density field. Based on two sets of accurate mock halo catalogues with and without BAOs in the seed initial conditions, we demonstrate that the BAO signal cannot be obtained from the clustering of classical disjoint voids, but it is clearly detected from overlapping voids. The latter represent an estimate of all troughs of the density field. We compute them from the empty circumsphere centers constrained by tetrahedra of galaxies using Delaunay triangulation. Our theoretical models based on an unprecedented large set of detailed simulated void catalogues are remarkably well confirmed by observational data. We use the largest recently publicly available sample of luminous red galaxies from SDSS-III BOSS DR11 to unveil for the first time a >3 σ BAO detection from voids in observations. Since voids are nearly isotropically expanding regions, their centers represent the most quiet places in the Universe, keeping in mind the cosmos origin and providing a new promising window in the analysis of the cosmological large-scale structure from galaxy surveys.

  9. Signatures of the Primordial Universe from Its Emptiness: Measurement of Baryon Acoustic Oscillations from Minima of the Density Field.

    PubMed

    Kitaura, Francisco-Shu; Chuang, Chia-Hsun; Liang, Yu; Zhao, Cheng; Tao, Charling; Rodríguez-Torres, Sergio; Eisenstein, Daniel J; Gil-Marín, Héctor; Kneib, Jean-Paul; McBride, Cameron; Percival, Will J; Ross, Ashley J; Sánchez, Ariel G; Tinker, Jeremy; Tojeiro, Rita; Vargas-Magana, Mariana; Zhao, Gong-Bo

    2016-04-29

    Sound waves from the primordial fluctuations of the Universe imprinted in the large-scale structure, called baryon acoustic oscillations (BAOs), can be used as standard rulers to measure the scale of the Universe. These oscillations have already been detected in the distribution of galaxies. Here we propose to measure BAOs from the troughs (minima) of the density field. Based on two sets of accurate mock halo catalogues with and without BAOs in the seed initial conditions, we demonstrate that the BAO signal cannot be obtained from the clustering of classical disjoint voids, but it is clearly detected from overlapping voids. The latter represent an estimate of all troughs of the density field. We compute them from the empty circumsphere centers constrained by tetrahedra of galaxies using Delaunay triangulation. Our theoretical models based on an unprecedented large set of detailed simulated void catalogues are remarkably well confirmed by observational data. We use the largest recently publicly available sample of luminous red galaxies from SDSS-III BOSS DR11 to unveil for the first time a >3σ BAO detection from voids in observations. Since voids are nearly isotropically expanding regions, their centers represent the most quiet places in the Universe, keeping in mind the cosmos origin and providing a new promising window in the analysis of the cosmological large-scale structure from galaxy surveys.

  10. Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2–6, and several hexamer local minima at the CCSD(T) level of theory

    SciTech Connect

    Miliordos, Evangelos; Aprà, Edoardo; Xantheas, Sotiris S.

    2013-01-01

    We report the first optimum geometries and harmonic vibrational frequencies for the ring pentamer and several water hexamer (prism, cage, cyclic and two book) at the CCSD(T)/aug-cc-pVDZ level of theory. All five hexamer isomer minima previously reported by MP2 are also minima on the CCSD(T) potential energy surface (PES). In addition, all CCSD(T) minimum energy structures for the n=2-6 cluster isomers are quite close to the ones previously obtained by MP2 on the respective PESs, as confirmed by a modified Procrustes analysis that quantifies the difference between any two cluster geometries. The CCSD(T) results confirm the cooperative effect of the homodromic ring networks (systematic contraction of the nearest-neighbor (nn) intermolecular separations with cluster size) previously reported by MP2, albeit with O-O distances shorter by ~0.02 Å, indicating that MP2 overcorrects this effect. The harmonic frequencies at the minimum geometries were obtained by the double differentiation of the CCSD(T) energy using an efficient scheme based on internal coordinates that reduces the number of required single point energy evaluations by ~15% when compared to the corresponding double differentiation using Cartesian coordinates. Negligible differences between MP2 and CCSD(T) are found for the librational modes, while uniform increases of ~15 and ~25 cm-1 are observed for the bending and “free” OH harmonic frequencies. The largest differences between MP2 and CCSD(T) are observed for the harmonic hydrogen bonded frequencies. The CCSD(T) red shifts from the monomer frequencies (Δω) are smaller than the MP2 ones, due to the fact that the former produces shorter elongations (ΔR) of the respective hydrogen bonded OH lengths from the monomer value with respect to the latter. Both the MP2 and CCSD(T) results for the hydrogen bonded frequencies were found to closely follow the relation - Δω = s · ΔR, with a rate of s = 20.3 cm-1 / 0.001 Å. The CCSD

  11. Variability of surface water dynamics during eccentricity minima interglacials of the last 1 Myr in the North Atlantic

    NASA Astrophysics Data System (ADS)

    Palumbo, Eliana; Emanuele, Dario; Ferretti, Patrizia; Flores, José-Abel; Perugia, Carmen; Petrillo, Zaccaria; Ornella Amore, Filomena

    2014-05-01

    Eccentricity minima occurred only three times during the last 1 Myr in correspondence of Marine Isotope Stages (MIS) 1 (last 11 ka), 11 (425-360 ka) and 19 (791-763 ka). All these stages are characterised by similar orbital configurations and the Pleistocene eccentricity minima interglacials are considered, by several authors, as possible analogues for the Holocene and its future evolution. Surface water dynamics were reconstructed through quantitative analyses performed on coccolithophore assemblages in two key-sites of the North Atlantic: MD03-2699 core, retrieved off Iberian Margin (IM), and IODP Site U1313, located in the upper western flank of the Mid-Atlantic Ridge. Nowadays, IODP Site U1313 is under the influence of a northern ramification of the Gulf Stream, the North Atlantic Current (NAC). This current forms a transitional zone between the productive cold polar system and the oligotrophic warm subtropical system. In addition, the NAC represents the northern boundary of the Portugal Current (PC) system which influences the modern surface oceanography off the IM at MD03-2699 site. Coccolithophore data were carried out by sediments of MD03-2699 core for MIS 11 and MIS 1(Amore et al., 2012; Palumbo et al., 2013a,b) and by IODP Site U1313 for MIS 19 (Emanuele, 2013). The mean sampling resolution for MIS 1 is 140 yrs, for MIS 11 about 400 yrs and for MIS 19 about 220 yrs. The high samples resolution allowed reconstructing long term changes at orbital timescale as well as rapid changes at millennial scale. Data from coccolithophore assemblages were compared with available proxy for the studied cores such as alkenones, lithics, oxygen and carbon isotopes. Coccolithophores belong to phytoplankton group and they are widely used as proxy of surface water dynamics thanks to their attitude to record the smallest paleoclimatic changes and because they directly depend on sea surface temperature and salinity, sunlight and availability of nutrients. Through the use of

  12. Defect mediated room temperature ferromagnetism and resistance minima study in epitaxial ZnGa0.002Al0.02O transparent conducting oxide films

    NASA Astrophysics Data System (ADS)

    Temizer, Namik K.; Nori, Sudhakar; Kumar, D.; Narayan, Jagdish

    2016-09-01

    We report on the micro-structural, transport, optical and magnetic properties in ZnGa0.002Al0.02O (AGZO) films grown by pulsed laser deposition under different growth conditions. AGZO films grown at substrate temperatures of 600 °C show metal-like behavior with a resistivity minima at lower temperatures, whereas films grown at 300 °C and ambient oxygen partial pressure of 1 mTorr show metallic nature with resistivity values on the order of 100 µΩ · cm at room temperature. The most interesting features are the concomitant occurrence of high temperature resistivity minima and room temperature ferromagnetism with a saturation magnetic moment of 1000 A m-1 and with coercivity in the range 100-240 Oe. The temperature dependent resistivity data has been interpreted in the light of quantum corrections to conductivity in disordered systems, suggesting that the e-e interactions is the dominant mechanism in the weak-localization (WL) limit in the case of films showing resisitivity minima. The simultaneous ferromagnetic ordering coupled with the enhancements in electrical conductivity in AGZO system should have their origin in native point defects in the form of oxygen and zinc vacancies and interstitials and their complexes. We propose that formation of oxygen vacancy-zinc interstitial defect complex (V O-I Zn) is responsible for the enhancement in n-type conductivity, and zinc vacancies (V Zn) for the observed room temperature ferromagnetism.

  13. Delayed build-up of Arctic ice sheets during 400, 000-year minima in insolation variability confirmed by Chinese loess

    NASA Astrophysics Data System (ADS)

    Hao, Q.; Wang, L.; Oldfield, F.; Peng, S.; Qin, L.; Song, Y.; Xu, B.; Qiao, Y.; Bloemendal, J.; Guo, Z.

    2013-12-01

    The growth and decay of the Northern Hemisphere ice volume led to alternations of glacial and interglacial climate and major changes in sea level during the Quaternary period. Unfortunately, long-term continuous records of ice-sheet variability in the Northern during the Quaternary period Hemisphere only are scarce because benthic δ18O records represent an integrated signal of changes in ice volume in both polar regions. Direct sedimentary records of Northern Hemisphere polar ice sheets exist only for the late Quaternary and longer term records are scarce. However, variations in Northern Hemisphere ice sheets influence the Siberian High (an atmospheric pressure system), so variations in the East Asian winter monsoon (EAWM)--as recorded in the aeolian dust deposits on the Chinese Loess Plateau--can serve as a useful proxy of Arctic climate variability. Here we present an EAWM proxy record using grain-size variations in two parallel loess sections over the past 900 kyr to address the timing of build-up of Northern hemisphere ice sheets around 413 kyr mimina in eccentricity and precessional variability. These periods are regarded as the astronomical analogues of the present interglacial. The results show that during periods of low eccentricity and precessional variability around 400 kyr and 800 kyr ago, the grain-size-inferred intensity of the EAWM remains weak for up to 20 kyr after the end of the interglacial episodes MIS 11, MIS 19 and MIS 21. In contrast, there is a rapid increase in the EAWM after the end of most other interglacials. We conclude that, for these interglacials at 400 kyr intervals, the weak EAWM winds maintain a non-glacial climate at high northern latitudes for much longer than expected from the conventional loess and marine oxygen isotope records. During these times, the less severe summer insolation minima at 65° N (modulated by 413-kyr eccentricity cycles) would have suppressed ice and snow accumulation, leading to a weak Siberian High and

  14. VizieR Online Data Catalog: TU UMa light curves and maxima, CL Aur minima (Liska+, 2016)

    NASA Astrophysics Data System (ADS)

    Liska, J.; Skarka, M.; Mikulasek, Z.; Zejda, M.; Chrastina, M.

    2016-02-01

    Differential photometry for RR Lyrae star TU UMa in the 1st and 2nd file. The measurements were obtained using 24-inch and 1-inch telescopes, respectively. The observations were performed at the Masaryk University Observatory in Brno (3 nights, 24-inch), and at the private observatory in Brno (16 nights, 1-inch) in the Czech Republic from December 2013 to June 2014. Observing equipments consisted of 24-inch Newtonian telescope (600/2780mm, diameter/focal length) and a Moravian Instruments CCD camera G2-4000 with Stromgren photometric filters vby, and of 1-inch refractor (a photographic lens Sonnar 4/135mm, lens focal ratio/focal length) and ATIK 16IC CCD camera with green photometric filter with similar throughput as the Johnson V filter. Exposures were v - 60s, b - 30s, y - 30s, green - 30s. For the small aperture telescope, five frames were combined to a single image to achieve a better signal-to-noise ratio. The time resolution of a such combined frame is about 170s. CCD images were calibrated in a standard way (dark frame and flat field corrections). The C-Munipack software (Motl 2009) was used for this processing as well as for differential photometry. The comparison star BD+30 2165 was the same for both instruments, but the control stars were BD+30 2164 (for the 24-inch telescope) and HD 99593 (for the 1-inch telescope). The 3rd file contains maxima timings of TU UMa adopted from the GEOS RR Lyr database, from the latest publications, together with maxima timings determined in our study. Times of maxima were calculated from our observations, sky-surveys data (Hipparcos, NSVS, Pi of the Sky, SuperWASP), photographic measurements (project DASCH), and from several published datasets, in which the maxima were omitted or badly determined - Boenigk (1958AcA.....8...13B), Liakos, Niarchos (2011IBVS.6099....1L, 2011IBVS.5990....1L), Liu, Janes (1989ApJS...69..593L), Preston et al. (1961ApJ...133..484P). The 4th file contains minima timings of eclipsing binary CL Aur

  15. Delayed build-up of Arctic ice sheets during 400, 000-year minima in insolation variability confirmed by Chinese loess

    NASA Astrophysics Data System (ADS)

    Hao, Qingzhen; Wang, Luo; Oldfield, Frank; Peng, Shuzhen; Qin, Li; Song, Yang; Xu, Bing; Qiao, Yansong; Bloemendal, Jan; Guo, Zhengtang

    2014-05-01

    The growth and decay of the Northern Hemisphere ice volume led to alternations of glacial and interglacial climate. Unfortunately, long-term continuous records of ice-sheet variability in the Northern Hemisphere during the Quaternary period only are scarce because benthic δ18O records represent an integrated signal of changes in ice volume in both polar regions. However, variations in Northern Hemisphere ice sheets influence the Siberian High (an atmospheric pressure system), so variations in the East Asian winter monsoon (EAWM)—as recorded in the aeolian dust deposits on the Chinese Loess Plateau—can serve as a useful proxy of Arctic climate variability. Here we present an EAWM proxy record using grain-size variations in two parallel loess sections over the past 900 kyr to address the timing of build-up of Northern hemisphere ice sheets around 413 kyr mimina in eccentricity and precessional variability. These periods are regarded as the astronomical analogues of the present interglacial. The grain-size-inferred intensity of the EAWM records shows that the wind strength of EAWM increased rapidly after the end of most interglacials. However, during periods of low eccentricity and precessional variability around 400 kyr and 800 kyr ago, EAWM remains weak for up to 20 kyr after the end of the interglacial episodes MIS 11, MIS 19 and MIS 21. We conclude that the delayed increase in wind strength of the EAWM was caused by delayed buildup of Arctic ice sheets at the ends of the interglacials at 400 kyr intervals, which had led to much longer climate of interglacial mode at high northern latitudes than expected from the marine oxygen isotope records. During these times, the less severe summer insolation minima at 65° N (modulated by 413-kyr eccentricity cycles) would have suppressed ice and snow accumulation, leading to a weak Siberian High and, consequently, weak EAWM winds. Astronomically driven insolation during the present interglacial and in the near future is

  16. Major geophysical events and transitions of heliospheric magnetic field in the beginning, middle and end phase of the Maunder solar minima

    NASA Astrophysics Data System (ADS)

    Casati, Michele; Straser, Valentino; Feron, Alessandro

    2016-04-01

    In recent decades we are moving towards the hypothesis that electromagnetic (EM) processes inside the solar system (not yet fully understood from a physical point of view), may be linked with the energy released during major geophysical events (energy expressed in magnitude or Volcanic Explosivity Index). This research has focused on analysis of the temporal relationship between EM processes inside the solar system and major geophysical events around the crucial phase of the Maunder solar minima (1645-1715). To carry out this study thirty-five limit values of the heliospheric magnetic field strength HMF (minimum and/or maximum) were compared, in terms of time, with twenty-one major geophysical events which occurred between 1600 and 1729. In the solar-terrestrial interaction, the concomitant conditions necessary for the amplification of the energy of the geophysical event, are two: i. low solar activity during a long period (from decades to centuries), for example, the historical solar minima: Wolf, Sporer, Maunder, Dalton, etc. and ii. fast and impulsive EM solar dynamo reorganizations in the short-term (one year or two years), are characteristic in the two periods of the solar cycle border, the incoming or outgoing of the solar minima or solar maximum. The reconstructed intensity of the heliospheric magnetic field (HMF) was the main set of data used to carry out the present study. HMF evaluated by the annual cosmogenic 10Be ice core data from Dye 3 and North GRIP, in Greenland [McCracken;Beer,Sol.Phys.,2015 in press]. Analysis of the data shows that all the major geophysical events, with magnitude and volcanic explosivity index: 8.7

  17. Opportunities and challenges to conserve water on the landscape in snow-dominated forests: The quest for the radiative minima and more...

    NASA Astrophysics Data System (ADS)

    Link, T. E.; Kumar, M.; Pomeroy, J. W.; Seyednasrollah, B.; Ellis, C. R.; Lawler, R.; Essery, R.

    2012-12-01

    In mountainous, forested environments, vegetation exerts a strong control on snowcover dynamics that affect ecohydrological processes, streamflow regimes, and riparian health. Snowcover deposition and ablation patterns in forests are controlled by a complex combination of canopy interception processes coupled with radiative and turbulent heat flux patterns related to topographic and canopy cover variations. In seasonal snow environments, snowcover ablation dynamics in forests are dominated by net radiation. Recent research indicates that in small canopy gaps a net radiation minima relative to both open and forested environments can occur, but depends strongly on solar angle, gap size, slope, canopy height and stem density. The optimal gap size to minimize radiation to snow was estimated to have a diameter between 1 and 2 times the surrounding vegetation height. Physically-based snowmelt simulations indicate that gaps may increase SWE and desynchronize snowmelt by approximately 3 weeks between north and south facing slopes, relative to undisturbed forests. On east and west facing slopes, small gaps cause melt to be slightly delayed relative to intact forests, and have a minimal effect on melt synchronicity between slopes. Recent research focused on canopy thinning also indicates that a net radiation minima occurs in canopies of intermediate densities. Physically-based radiative transfer simulations using a discrete tree-based model indicate that in mid-latitude level forests, the annually-integrated radiative minima occurs at a tree spacing of 2.65 relative to the canopy height. The radiative minima was found to occur in denser forests on south-facing slopes and sparser forests on north-facing slopes. The radiative minimums in thinned forests are controlled by solar angle, crown geometry and density, tree spacing, slope, and aspect. These results indicate that both gap and homogeneous forest thinning may be used to reduce snowmelt rates or alter melt synchronicity

  18. Lead accumulation reduces photosynthesis in the lead hyper-accumulator Salvinia minima Baker by affecting the cell membrane and inducing stomatal closure.

    PubMed

    Leal-Alvarado, Daniel A; Espadas-Gil, Francisco; Sáenz-Carbonell, Luis; Talavera-May, Carlos; Santamaría, Jorge M

    2016-02-01

    Salvinia minima Baker accumulates a fair amount of lead in its tissues; however, no studies have investigated the effect of lead on the physiological processes that affect photosynthesis in this species. The objective of the present study was to assess whether the high amounts of lead accumulated by S. minima can affect its photosynthetic apparatus. The physiological changes in the roots and leaves in response to lead accumulation were analyzed. An exposure to 40 μM Pb(NO3)2 for 24 h (first stage) was sufficient to reduce the photosynthetic rate (Pn) by 44%. This reduction in Pn was apparently the result of processes at various levels, including damage to the cell membranes (mainly in roots). Interestingly, although the plants were transferred to fresh medium without lead for an additional 24 h (second stage), Pn not only remained low, but was reduced even further, which was apparently related to stomatal closure, and may have led to reduced CO2 availability. Therefore, it can be concluded that lead exposure first decreases the photosynthetic rate by damaging the root membrane and then induces stomatal closure, resulting in decreased CO2 availability.

  19. Apoptotic effects of Physalis minima L. chloroform extract in human breast carcinoma T-47D cells mediated by c-myc-, p53-, and caspase-3-dependent pathways.

    PubMed

    Ooi, Kheng Leong; Tengku Muhammad, Tengku Sifzizul; Lim, Chui Hun; Sulaiman, Shaida Fariza

    2010-03-01

    The chloroform extract of Physalis minima produced a significant growth inhibition against human T-47D breast carcinoma cells as compared with other extracts with an EC(50) value of 3.8 microg/mL. An analysis of cell death mechanisms indicated that the extract elicited an apoptotic cell death. mRNA expression analysis revealed the coregulation of apoptotic genes, that is, c-myc , p53, and caspase-3. The c-myc was significantly induced by the chloroform extract at the earlier phase of treatment, followed by p53 and caspase-3. Biochemical assay and ultrastructural observation displayed typical apoptotic features in the treated cells, including DNA fragmentation, blebbing and convolution of cell membrane, clumping and margination of chromatin, and production of membrane-bound apoptotic bodies. The presence of different stages of apoptotic cell death and phosphatidylserine externalization were further reconfirmed by annexin V and propidium iodide staining. Thus, the results from this study strongly suggest that the chloroform extract of P. minima induced apoptotic cell death via p53-, caspase-3-, and c-myc-dependent pathways.

  20. Spectroscopic evidence for the coexistence of tetragonal and trigonal minima within the exited state adiabatic potential energy surfaces of hexachlorotellurate and -selenate complexes

    NASA Astrophysics Data System (ADS)

    Cremers, C.; Degen, J.

    1998-11-01

    Coexistence of Jahn-Teller minima resulting from the coupling to different accepting modes within the adiabatic potential energy surface (APES) is not possible within the framework of linear vibronic coupling theory. For the lowest exited triplet state 3T1u of inorganic complexes with s2 electronic ground-state configuration, such a coexistence, due to quadratic coupling effects, is discussed. As a direct experimental evidence two vibronic progressions with different accepting modes in the emission spectra resulting from a single electronic state are observed in the emission spectra of the title compounds. The observation of vibronic finestructure in the emission spectra of [TeCl6]2- is reported for the first time.

  1. Critical behavior of the number of minima of a random landscape at the glass transition point and the Tracy-Widom distribution.

    PubMed

    Fyodorov, Yan V; Nadal, Celine

    2012-10-19

    We exploit a relation between the mean number N(m) of minima of random Gaussian surfaces and extreme eigenvalues of random matrices to understand the critical behavior of N(m) in the simplest glasslike transition occuring in a toy model of a single particle in an N-dimensional random environment, with N>1. Varying the control parameter μ through the critical value μ(c) we analyze in detail how N(m)(μ) drops from being exponentially large in the glassy phase to N(m)(μ)~1 on the other side of the transition. We also extract a subleading behavior of N(m)(μ) in both glassy and simple phases. The width δμ/μ(c) of the critical region is found to scale as N(-1/3) and inside that region N(m)(μ) converges to a limiting shape expressed in terms of the Tracy-Widom distribution.

  2. Cytotoxic Activities of Physalis minima L. Chloroform Extract on Human Lung Adenocarcinoma NCI-H23 Cell Lines by Induction of Apoptosis

    PubMed Central

    Leong, Ooi Kheng; Muhammad, Tengku Sifzizul Tengku; Sulaiman, Shaida Fariza

    2011-01-01

    Physalis minima L. is reputed for having anticancer property. In this study, the chloroform extract of this plant exhibited remarkable cytotoxic activities on NCI-H23 (human lung adenocarcinoma) cell line at dose- and time-dependent manners (after 24, 48 and 72 h of incubation). Analysis of cell-death mechanism demonstrated that the extract exerted apoptotic programed cell death in NCI-H23 cells with typical DNA fragmentation, which is a biochemical hallmark of apoptosis. Morphological observation using transmission electron microscope (TEM) also displayed apoptotic characteristics in the treated cells, including clumping and margination of chromatins, followed by convolution of the nuclear and budding of the cells to produce membrane-bound apoptotic bodies. Different stages of apoptotic programed cell death as well as phosphatidylserine externalization were confirmed using annexin V and propidium iodide staining. Furthermore, acute exposure to the extract produced a significant regulation of c-myc, caspase-3 and p53 mRNA expression in this cell line. Due to its apoptotic effect on NCI-H23 cells, it is strongly suggested that the extract could be further developed as an anticancer drug. PMID:19541726

  3. Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. II. Minima on the crossing seam: formaldehyde and the photodimerization of ethylene.

    PubMed

    Dallos, Michal; Lischka, Hans; Shepard, Ron; Yarkony, David R; Szalay, Peter G

    2004-04-22

    The method for the analytic calculation of the nonadiabatic coupling vector at the multireference configuration-interaction (MR-CI) level and its program implementation into the COLUMBUS program system described in the preceding paper [Lischka et al., J. Chem. Phys. 120, 7322 (2004)] has been combined with automatic searches for minima on the crossing seam (MXS). Based on a perturbative description of the vicinity of a conical intersection, a Lagrange formalism for the determination of MXS has been derived. Geometry optimization by direct inversion in the iterative subspace extrapolation is used to improve the convergence properties of the corresponding Newton-Raphson procedure. Three examples have been investigated: the crossing between the 1(1)B1/2(1)A1 valence states in formaldehyde, the crossing between the 2(1)A1/3(1)A1 pi-pi* valence and ny-3py Rydberg states in formaldehyde, and three crossings in the case of the photodimerization of ethylene. The methods developed allow MXS searches of significantly larger systems at the MR-CI level than have been possible before and significantly more accurate calculations as compared to previous complete-active space self-consistent field approaches.

  4. Correlation between the variation in observed melting temperatures and structural motifs of the global minima of gallium clusters: an ab initio study.

    PubMed

    Susan, Anju; Kibey, Aniruddha; Kaware, Vaibhav; Joshi, Kavita

    2013-01-07

    We have investigated the correlation between the variation in the melting temperature and the growth pattern of small positively charged gallium clusters. Significant shift in the melting temperatures was observed for a change of only few atoms in the size of the cluster. Clusters with size between 31-42 atoms melt between 500-600 K whereas those with 46-48 atoms melt around 800 K. Density functional theory based first principles simulations have been carried out on Ga(n)(+) clusters with n = 31, ..., 48. At least 150 geometry optimizations have been performed towards the search for the global minima for each size resulting in about 3000 geometry optimizations. For gallium clusters in this size range, the emergence of spherical structures as the ground state leads to higher melting temperature. The well-separated core and surface shells in these clusters delay isomerization, which results in the enhanced stability of these clusters at elevated temperatures. The observed variation in the melting temperature of these clusters therefore has a structural origin.

  5. Cytotoxic Activities of Physalis minima L. Chloroform Extract on Human Lung Adenocarcinoma NCI-H23 Cell Lines by Induction of Apoptosis.

    PubMed

    Leong, Ooi Kheng; Muhammad, Tengku Sifzizul Tengku; Sulaiman, Shaida Fariza

    2011-01-01

    Physalis minima L. is reputed for having anticancer property. In this study, the chloroform extract of this plant exhibited remarkable cytotoxic activities on NCI-H23 (human lung adenocarcinoma) cell line at dose- and time-dependent manners (after 24, 48 and 72 h of incubation). Analysis of cell-death mechanism demonstrated that the extract exerted apoptotic programed cell death in NCI-H23 cells with typical DNA fragmentation, which is a biochemical hallmark of apoptosis. Morphological observation using transmission electron microscope (TEM) also displayed apoptotic characteristics in the treated cells, including clumping and margination of chromatins, followed by convolution of the nuclear and budding of the cells to produce membrane-bound apoptotic bodies. Different stages of apoptotic programed cell death as well as phosphatidylserine externalization were confirmed using annexin V and propidium iodide staining. Furthermore, acute exposure to the extract produced a significant regulation of c-myc, caspase-3 and p53 mRNA expression in this cell line. Due to its apoptotic effect on NCI-H23 cells, it is strongly suggested that the extract could be further developed as an anticancer drug.

  6. Correlation between the variation in observed melting temperatures and structural motifs of the global minima of gallium clusters: An ab initio study

    NASA Astrophysics Data System (ADS)

    Susan, Anju; Kibey, Aniruddha; Kaware, Vaibhav; Joshi, Kavita

    2013-01-01

    We have investigated the correlation between the variation in the melting temperature and the growth pattern of small positively charged gallium clusters. Significant shift in the melting temperatures was observed for a change of only few atoms in the size of the cluster. Clusters with size between 31-42 atoms melt between 500-600 K whereas those with 46-48 atoms melt around 800 K. Density functional theory based first principles simulations have been carried out on Ga+n clusters with n = 31, …, 48. At least 150 geometry optimizations have been performed towards the search for the global minima for each size resulting in about 3000 geometry optimizations. For gallium clusters in this size range, the emergence of spherical structures as the ground state leads to higher melting temperature. The well-separated core and surface shells in these clusters delay isomerization, which results in the enhanced stability of these clusters at elevated temperatures. The observed variation in the melting temperature of these clusters therefore has a structural origin.

  7. Minima de L'intégrale D'action du Problème Newtoniende 4 Corps de Masses Égales Dans R3: Orbites `Hip-Hop'

    NASA Astrophysics Data System (ADS)

    Chenciner, Alain; Venturelli, Andrea

    2000-09-01

    We consider the problem of 4 bodies of equal masses in R 3 for the Newtonian r-1 potential. We address the question of the absolute minima of the action integral among (anti)symmetric loops of class H 1 whose period is fixed. It is the simplest case for which the results of [4] (corrected in [5]) do not apply: the minima cannot be the relative equilibria whose configuration is an absolute minimum of the potential among the configurations having a given moment of inertia with respect to their center of mass. This is because the regular tetrahedron cannot have a relative equilibrium motion in R 3 (see [2]). We show that the absolute minima of the action are not homographic motions. We also show that if we force the configuration to admit a certain type of symmetry of order 4, the absolute minimum is a collisionless orbit whose configuration ‘hesitates’ between the central configuration of the square and the one of the tetrahedron. We call these orbits ‘hip-hop’. A similar result holds in case of a symmetry of order 3 where the central configuration of the equilateral triangle with a body at the center of mass replaces the square.

  8. The Anti-inflammatory Activities of Two Major Withanolides from Physalis minima Via Acting on NF-κB, STAT3, and HO-1 in LPS-Stimulated RAW264.7 Cells.

    PubMed

    Li, Rui-Jun; Gao, Cai-Yun; Guo, Chao; Zhou, Miao-Miao; Luo, Jun; Kong, Ling-Yi

    2016-12-02

    Physalis minima has been traditionally used as a folk herbal medicine in China for the treatment of many inflammatory diseases. However, little is known about its anti-inflammatory constituents and associated molecular mechanisms. In our study, withaphysalin A (WA) and 2, 3-dihydro-withaphysalin C (WC), two major withanolide-type compounds, were obtained from the anti-inflammatory fraction of P. minima. Both WA and WC significantly inhibited the production of nitrite oxide (NO), prostaglandin E2 (PGE2), and several pro-inflammatory cytokines, such as interleukin-1β (IL-1β), IL-6, and tumor necrosis factor-α (TNF-α) in lipopolysaccharide (LPS)-activated RAW264.7 macrophages. Further research indicated that they downregulated the LPS-induced expression of inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2) at the mRNA and protein levels. In addition, they also suppressed nuclear translocation of NF-κB p65, phosphorylation of STAT3, and upregulated HO-1 expression. Intriguingly, the activation of MAPKs was suppressed by WA but was not altered by WC. Taken together, these data provide scientific evidence for elucidating the major bioactive constituents and related molecular mechanisms for the traditional use of P. minima and suggest that WA and WC can be attractive therapeutic candidates for various inflammatory diseases.

  9. Molecular and morphological diversity of Narragansett Bay (RI, USA) Ulva (Ulvales, Chlorophyta) populations.

    PubMed

    Guidone, Michele; Thornber, Carol; Wysor, Brian; O'Kelly, Charles J

    2013-10-01

    Macroalgal bloom-forming species occur in coastal systems worldwide. However, due to overlapping morphologies in some taxa, accurate taxonomic assessment and classification of these species can be quite challenging. We investigated the molecular and morphological characteristics of 153 specimens of bloom-forming Ulva located in and around Narragansett Bay, RI, USA. We analyzed sequences of the nuclear internal transcribed spacer 1 region (ITS1) and the chloroplast-encoded rbcL; based on the ITS1 data, we grouped the specimens into nine operational taxonomic units (OTUs). Eight of these OTUs have been previously reported to exist, while one is novel. Of the eight OTUs, all shared sequence identity with previously published sequences or differed by less than 1.5% sequence divergence for two molecular markers. Previously, 10 species names were reported for Ulva in Rhode Island (one blade and nine tube-forming species) based upon morphological classification alone. Of our nine OTUs, three contained blade-forming specimens (U. lactuca, U. compressa, U. rigida), one OTU had a blade with a tubular stipe, and six contained unbranched and/or branched tubular morphologies (one of these six, U. compressa, had both a blade and a tube morphology). While the three blade-forming OTUs in Narragansett Bay can frequently be distinguished by careful observations of morphological characteristics, and spatial/temporal distribution, it is much more difficult to distinguish among the tube-forming specimens based upon morphology or distribution alone. Our data support the molecular species concept for Ulva, and indicate that molecular-based classifications of Ulva species are critical for proper species identification, and subsequent ecological assessment or mitigation of Ulva blooms.

  10. Comparative Magnetic Minima: Characterizing Quiet Times in the Sun and Stars. Symposium of the International Astronomical Union (286th) Held in Mendoza, Argentina on October 3-7, 2011

    DTIC Science & Technology

    2011-10-01

    fields attract over a million tourists every year . Our Mendoza IAU Symposium on “Comparative Magnetic Minima” brought to- gether scientists who studied...43133600 Standard Form 298 (Rev. 8 -98) Prescribed by ANSI Std. Z39.18 IAU Symposium 286: Comparative Magnetic Minima: Characterizing quiet times in...Registration (at the auditorium) 20:30 - 23:30 Icebreaker (at Huentala Hotel’s Kitek Cava Lounge) Monday 3 October 8 :30 – 9:20 Registration 9:20 – 9

  11. Differences in the Effect of Coal Pile Runoff (Low pH, High Metal Concentrations) Versus Natural Carolina Bay Water (Low pH, Low Metal Concentrations) on Plant Condition and Associated Bacterial Epiphytes of Salvinia minima.

    PubMed

    Lindell, A H; Tuckfield, R C; McArthur, J V

    2016-05-01

    Numerous wetlands and streams have been impacted by acid mine drainage (AMD) resulting in lowered pH and increased levels of toxic heavy metals. Remediation of these contaminated sites requires knowledge on the response of microbial communities (especially epiphytic) and aquatic plants to these altered environmental conditions. We examined the effect of coal pile runoff waters as an example of AMD in contrast to natural water from Carolina Bays with low pH and levels of metals on Salvinia minima, a non-native, metal accumulating plant and associated epiphytic bacteria. Treatments included water from two Carolina Bays, one AMD basin and Hoagland's Solution at two pH levels (natural and adjusted to 5.0-5.5). Using controlled replicated microcosms (N = 64) we determined that the combination of low pH and high metal concentrations has a significant negative impact (p < 0.05) on plant condition and epiphytes. Solution metal concentrations dropped indicating removal from solution by S. minima in all microcosms.

  12. Ion-Stockmayer clusters: Minima, classical thermodynamics, and variational ground state estimates of Li{sup +}(CH{sub 3}NO{sub 2}){sub n} (n = 1–20)

    SciTech Connect

    Curotto, E.

    2015-12-07

    Structural optimizations, classical NVT ensemble, and variational Monte Carlo simulations of ion Stockmayer clusters parameterized to approximate the Li{sup +}(CH{sub 3}NO{sub 2}){sub n} (n = 1–20) systems are performed. The Metropolis algorithm enhanced by the parallel tempering strategy is used to measure internal energies and heat capacities, and a parallel version of the genetic algorithm is employed to obtain the most important minima. The first solvation sheath is octahedral and this feature remains the dominant theme in the structure of clusters with n ≥ 6. The first “magic number” is identified using the adiabatic solvent dissociation energy, and it marks the completion of the second solvation layer for the lithium ion-nitromethane clusters. It corresponds to the n = 18 system, a solvated ion with the first sheath having octahedral symmetry, weakly bound to an eight-membered and a four-membered ring crowning a vertex of the octahedron. Variational Monte Carlo estimates of the adiabatic solvent dissociation energy reveal that quantum effects further enhance the stability of the n = 18 system relative to its neighbors.

  13. VERTEX: manganese transport through oxygen minima

    NASA Astrophysics Data System (ADS)

    Martin, John H.; Knauer, George A.

    1984-01-01

    Manganese transport through a well-developed oxygen minimum was studied off central Mexico (18°N, 108°W) in October-November 1981 as part of the VERTEX (Vertical Transport and Exchange) research program. Refractory, leachable and dissolved Mn fractions associated with particulates caught in traps set at eight depths (120-1950 m) were analyzed. Particles entering the oxygen minimum had relatively large Mn loads; however, as the particulates sank further into the minimum, total Mn fluxes steadily decreased from 190 nmol m -2 day -1 at 120 m to 36 nmol m -2 day -1 at 400 m. Manganese fluxes then steadily increased in the remaining 800-1950 m, reaching rates of up to 230 nmol m -2 day -1 at 1950 m. Manganese concentrations were also measured in the water column. Dissolved Mn levels < 3.0 nmol kg -1 were consistently observed within the 150-600 m depth interval. In contrast, suspended particulate leachable Mn amounts were especially low at those depths, and never exceeded 0.04 nmol kg -1. The combined water column and particle trap data clearly indicate that Mn is released from particles as they sink through the oxygen minimum. Rate-of-change estimates based on trap flux data yield regeneration rates of up to 0.44 nmol kg -1 yr -1 in the upper oxygen minimum (120-200 m). However, only 30% of the dissolved Mn in the oxygen minimum appears to be from sinking particulate regeneration; the other 70% probably results from continental-slope-release-horizontal-transport processes. Dissolved Mn scavenges back onto particles as oxygen levels begin to increase with depth. Scavenging rates ranging from -0.03 to -0.09 nmol kg -1 yr -1 were observed at depths from 700 to 1950 m. These scavenging rates result in Mn residence times of 16-19 years, and scavenging rate constants on the order of 0.057 yr -1. Manganese removal via scavenging on sinking particles below the oxygen minimum is balanced by Mn released along continental boundaries and transported horizontally via advective-diffusive processes. Manganese appears to be very weakly associated with particulates. Nevertheless, the amounts of Mn involved with sinking biogenic particles are large, and the resulting fluxes are on the same order of magnitude as those necessary to explain the excess Mn accumulating on the sea floor. The overall behavior of Mn observed in this, and other, studies strongly suggests some type of equilibrium occurring between dissolved and particulate phases. This equilibrium appears to shift in direct or indirect response to dissolved oxygen levels.

  14. Prevalence and mechanism of polyunsaturated aldehydes production in the green tide forming macroalgal genus Ulva (Ulvales, Chlorophyta).

    PubMed

    Alsufyani, Taghreed; Engelen, Aschwin H; Diekmann, Onno E; Kuegler, Stefan; Wichard, Thomas

    2014-10-01

    Lipoxygenase/hydroperoxide lyase mediated transformations convert polyunsaturated fatty acids into various oxylipins. First, lipoxygenases catalyze fatty acid oxidation to fatty acid hydroperoxides. Subsequently, breakdown reactions result in a wide array of metabolites with multiple physiological and ecological functions. These fatty acid transformations are highly diverse in marine algae and play a crucial rule in e.g., signaling, chemical defense, and stress response often mediated through polyunsaturated aldehydes (PUAs). In this study, green tide-forming macroalgae of the genius Ulva (Chlorophyta) were collected at various sampling sites in the lagoon of the Ria Formosa (Portugal) and were surveyed for PUAs. We demonstrated that sea-lettuce like but not tube-like morphotypes produce elevated amounts of volatile C10-polyunsaturated aldehydes (2,4,7-decatrienal and 2,4-decadienal) upon tissue damage. Moreover, morphogenetic and phylogenetic analyses of the collected Ulva species revealed chemotaxonomic significance of the perspective biosynthetic pathways. The aldehydes are derived from omega-3 and omega-6 polyunsaturated fatty acids (PUFA) with 20 or 18 carbon atoms including eicosapentaenoic acid (C20:5 n-3), arachidonic acid (C20:4 n-6), stearidonic acid (C18:4 n-3), and γ-linolenic acid (C18:3 n-6). We present first evidences that lipoxygenase-mediated (11-LOX and 9-LOX) eicosanoid and octadecanoid pathways catalyze the transformation of C20- and C18-polyunsaturated fatty acids into PUAs and concomitantly into short chain hydroxylated fatty acids.

  15. High-level ab initio calculations for the four low-lying families of minima of (H2O)(20): 1. Estimates of MP2/CBS binding energies and comparison with empirical potentials

    SciTech Connect

    Fanourgakis, Georgios S.; Apra, Edoardo; Xantheas, Sotiris S.

    2004-08-08

    We report estimates of complete basis set (CBS) limits at the second-order Møller-Plesset perturbation level of theory (MP2) for the binding energies of the lowest lying isomers within each of the four major families of minima of (H2O)20. These were obtained by performing MP2 calculations with the family of correlation-consistent basis sets up to quadruple zeta quality, augmented with additional diffuse functions (aug-cc-pVnZ, n=D, T, Q). The MP2/CBS estimates are: -200.1 kcal/mol (dodecahedron, 30 hydrogen bonds), -212.6 kcal/mol (fused cubes, 36 hydrogen bonds), -215.0 (face-sharing pentagonal prisms, 35 hydrogen bonds) and –217.9 kcal/mol (edge-sharing pentagonal prisms, 34 hydrogen bonds). The energetic ordering of the various (H2O)20 isomers does not follow monotonically the number of hydrogen bonds as in the case of smaller clusters such as the different isomers of the water hexamer. The dodecahedron lies ca. 18 kcal/mol higher in energy than the most stable edge-sharing pentagonal prism isomer. The TIP4P, ASP-W4, TTM2-R, AMOEBA and TTM2-F empirical potentials also predict the energetic stabilization of the edge-sharing pentagonal prisms with respect to the dodecahedron, albeit they universally underestimate the cluster binding energies with respect to the MP2/CBS result. Among them, the TTM2-F potential was found to predict the absolute cluster binding energies to within < 1% from the corresponding MP2/CBS values, whereas the error for the rest of the potentials considered in this study ranges from 3-5%.

  16. High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentials.

    PubMed

    Fanourgakis, George S; Aprà, Edoardo; Xantheas, Sotiris S

    2004-08-08

    We report estimates of complete basis set (CBS) limits at the second-order Møller-Plesset perturbation level of theory (MP2) for the binding energies of the lowest-lying isomers within each of the four major families of minima of (H(2)O)(20). These were obtained by performing MP2 calculations with the family of correlation-consistent basis sets up to quadruple zeta quality, augmented with additional diffuse functions (aug-cc-pVnZ, n=D, T, Q). The MP2/CPS estimates are -200.1 (dodecahedron, 30 hydrogen bonds), -212.6 (fused cubes, 36 hydrogen bonds), -215.0 (face-sharing pentagonal prisms, 35 hydrogen bonds), and -217.9 kcal/mol (edge-sharing pentagonal prisms, 34 hydrogen bonds). The energetic ordering of the various (H(2)O)(20) isomers does not follow monotonically the number of hydrogen bonds as in the case of smaller clusters such as the different isomers of the water hexamer. The dodecahedron lies ca. 18 kcal/mol higher in energy than the most stable edge-sharing pentagonal prism isomer. The TIP4P, ASP-W4, TTM2-R, AMOEBA, and TTM2-F empirical potentials also predict the energetic stabilization of the edge-sharing pentagonal prisms with respect to the dodecahedron, albeit they universally underestimate the cluster binding energies with respect to the MP2/CBS result. Among them, the TTM2-F potential was found to predict the absolute cluster binding energies to within <1% from the corresponding MP2/CBS values, whereas the error for the rest of the potentials considered in this study ranges from 3% to 5%.

  17. Low-Lying Energy Isomers and Global Minima of Aqueous Nanoclusters: Structures and Spectroscopic Features of the Pentagonal Dodecahedron (H2O)20 and (H3O)+(H2O)20

    SciTech Connect

    Xantheas, Sotiris S.

    2012-08-01

    We rely on a hierarchy of methods to identify the low-lying isomers for the pentagonal dodecahedron (H2O)20 and the H3O+(H2O)20 clusters. Initial screening of isomers was performed with classical potentials [TIP4P, TTM2-F, TTM2.1-F for (H2O)20 and ASP for H3O+(H2O)20] and the networks obtained with those potentials were subsequently reoptimized at the DFT (B3LYP) and MP2 levels of theory. For the pentagonal dodecahedron (H2O)20 it was found that DFT (B3LYP) and MP2 produced the same global minimum. However, this was not the case for the H3O+(H2O)20 cluster, for which MP2 produced a different network for the global minimum when compared to DFT (B3LYP). All low-lying minima of H3O+(H2O)20 correspond to hydrogen bonding networks having 9 ''free'' OH bonds and the hydronium ion on the surface of the cluster. The fact that DFT (B3LYP) and MP2 produce different results and issues related to the use of a smaller basis set, explains the discrepancy between the current results and the structure previously suggested [Science 304, 1137 (2004)] for the global minimum of the H3O+(H2O)20 cluster. Additionally, the IR spectra of the MP2 global minimum are closer to the experimentally measured ones than the spectra of the previously suggested DFT global minimum. The latter exhibit additional bands in the most red-shifted region of the OH stretching vibrations (corresponding to the ''fingerprint'' of the underlying hydrogen bonding network), which are absent from both the experimental as well as the spectra of the new structure suggested for the global minimum of this cluster.

  18. False minima and the perils of a polar axis in X-ray structure solutions: Molecular structures of W(PMe{sub 3}){sub 4}H{sub 2}X{sub 2} (X = F, Cl, Br) and W(PMe{sub 3}){sub 4}H{sub 2}F{sub 2}(H{sub 2}O)

    SciTech Connect

    Murphy, V.J.; Rabinovich, D.; Parkin, G.

    1995-09-27

    Single-crystal X-ray diffraction is undoubtedly the most common and powerful method for the determination of molecular structures in the solid state. In this paper, we describe how, in specific circumstances, models may refine into extremely deceptive false minima, characterized by well-behaved refinement and displacement parameters, but are grossly distorted from the true structures. The existence of such a phenomenon has serious implications with respect to the interpretation of certain molecular structures as determined by X-ray diffraction. We have demonstrated that molecules which crystallize in polar space groups may suffer from structure solutions that refine into deceptive false minima. Although the existence of false minima is not without precedence, the examples described here are remarkable in the sense that the false structures are dramatically different from their true structures but are nevertheless characterized by low R values and well-behaved displacement parameters. It is likely that this effect will be most pronounced when the X-ray scattering is dominated by a single atom. Thus, in addition to the well-known requirement of ensuring that the correct sense of a polar axis has been selected, it is critical to establish that all of the atoms in the asymmetric unit of a polar space group belong to a single true polar configuration and that the correct molecular geometry is established. 26 refs., 3 figs.

  19. Strong Endemism of bloom-forming tubular Ulva in Indian West Coast, with description of Ulva paschima Sp. Nov. (Ulvales, Chlorophyta).

    PubMed

    Bast, Felix; John, Aijaz Ahmad; Bhushan, Satej

    2014-01-01

    Ulva intestinalis and Ulva compressa are two bloom-forming morphologically-cryptic species of green seaweeds widely accepted as cosmopolitan in distribution. Previous studies have shown that these are two distinct species that exhibit great morphological plasticity with changing seawater salinity. Here we present a phylogeographic assessment of tubular Ulva that we considered belonging to this complex collected from various marine and estuarine green-tide occurrences in a ca. 600 km stretch of the Indian west coast. Maximum Likelihood and Bayesian Inference phylogenetic reconstructions using ITS nrDNA revealed strong endemism of Indian tubular Ulva, with none of the Indian isolates forming part of the already described phylogenetic clades of either U. compressa or U. intestinalis. Due to the straightforward conclusion that Indian isolates form a robust and distinct phylogenetic clade, a description of a new bloom-forming species, Ulva paschima Bast, is formally proposed. Our phylogenetic reconstructions using Neighbor-Joining method revealed evolutionary affinity of this new species with Ulva flexuosa. This is the first molecular assessment of Ulva from the Indian Subcontinent.

  20. High-level ab-initio calculations for the four low-lying families of minima of (H2O)20: II. Spectroscopic signatures of the dodecahedron, fused cubes, face-sharing pentagonal prisms, and edge-sharing pentagonal prisms hydrogen bonding networks

    SciTech Connect

    Fanourgakis, Georgios S.; Apra, Edoardo; De Jong, Wibe A.; Xantheas, Sotiris S.

    2005-04-01

    We report the first harmonic vibrational spectra for each of the lowest lying isomers within the four major families of minima of (H{sub 2}O){sub 20}, namely the dodecahedron, fused cubes, face-sharing pentagonal prisms and edge-sharing pentagonal prisms. These were obtained at the second-order Moeller-Plesset perturbation level of theory (MP2) with the augmented correlation consistent basis set of double zeta quality (aug-cc-pVDZ) at the corresponding minimum energy geometries. The computed infrared (IR) spectra are the first ones obtained from first principles for these clusters. They were found to contain spectral features, which can be directly mapped onto the distinctive spectroscopic signatures of their constituent tetramer, pentamer and octamer fragments. The dodecahedron spectra show the richest structure in the OH stretching region and are associated with the most red-shifted OH vibrations with respect to the monomer. The lowest lying face-sharing pentagonal prism isomer displays intense IR active vibrations that are red-shifted by {approx}600 cm{sup -1} with respect to the water monomer. The zero-point energy corrected MP2/CBS (complete basis set) limit binding energies (D{sub 0}) for the four isomers are -163.1 kcal/mol (face-sharing pentagonal prism), -160.1 kcal/mol (edgesharing pentagonal prism), -157.5 kcal/mol (fused cubes) and -148.1 kcal/mol (dodecahedron).

  1. Communities of minima in local optima networks of combinatorial spaces

    NASA Astrophysics Data System (ADS)

    Daolio, Fabio; Tomassini, Marco; Vérel, Sébastien; Ochoa, Gabriela

    2011-05-01

    In this work, we present a new methodology to study the structure of the configuration spaces of hard combinatorial problems. It consists in building the network that has as nodes the locally optimal configurations and as edges the weighted oriented transitions between their basins of attraction. We apply the approach to the detection of communities in the optima networks produced by two different classes of instances of a hard combinatorial optimization problem: the quadratic assignment problem (QAP). We provide evidence indicating that the two problem instance classes give rise to very different configuration spaces. For the so-called real-like class, the networks possess a clear modular structure, while the optima networks belonging to the class of random uniform instances are less well partitionable into clusters. This is convincingly supported by using several statistical tests. Finally, we briefly discuss the consequences of the findings for heuristically searching the corresponding problem spaces.

  2. Minimum action transition paths connecting minima on an energy surface

    NASA Astrophysics Data System (ADS)

    Koehl, Patrice

    2016-11-01

    Dynamics is essential to the biological functions of many bio-molecules, yet our knowledge of dynamics remains fragmented. Experimental techniques for studying bio-molecules either provide high resolution information on static conformations of the molecule or provide low-resolution, ensemble information that does not shed light on single molecule dynamics. In parallel, bio-molecular dynamics occur at time scale that are not yet attainable through detailed simulation methods. These limitations are especially noticeable when studying transition paths. To address this issue, we report in this paper two methods that derive meaningful trajectories for proteins between two of their conformations. The first method, MinActionPath, uses approximations of the potential energy surface for the molecule to derive an analytical solution of the equations of motion related to the concept of minimum action path. The second method, RelaxPath, follows the same principle of minimum action path but implements a more sophisticated potential, including a mixed elastic potential and a collision term to alleviate steric clashes. Using this new potential, the equations of motion cannot be solved analytically. We have introduced a relaxation method for solving those equations. We describe both the theories behind the two methods and their implementations, focusing on the specific techniques we have used that make those implementations amenable to study large molecular systems. We have illustrated the performance of RelaxPath on simple 2D systems. We have also compared MinActionPath and RelaxPath to other methods for generating transition paths on a well suited test set of large proteins, for which the end points of the trajectories as well as an intermediate conformation between those end points are known. We have shown that RelaxPath outperforms those other methods, including MinActionPath, in its ability to generate trajectories that get close to the known intermediates. We have also shown that the structures along the RelaxPath trajectories remain protein-like. Open source versions of the two programs MinActionPath and RelaxPath are available by request.

  3. Activities: Activities to Introduce Maxima-Minima Problems.

    ERIC Educational Resources Information Center

    Pleacher, David

    1991-01-01

    Presented are student activities that involve two standard problems from geometry and calculus--the volume of a box and the bank shot on a pool table. Problem solving is emphasized as a method of inquiry and application with descriptions of the results using graphical, numerical, and physical models. (JJK)

  4. Minimum action transition paths connecting minima on an energy surface.

    PubMed

    Koehl, Patrice

    2016-11-14

    Dynamics is essential to the biological functions of many bio-molecules, yet our knowledge of dynamics remains fragmented. Experimental techniques for studying bio-molecules either provide high resolution information on static conformations of the molecule or provide low-resolution, ensemble information that does not shed light on single molecule dynamics. In parallel, bio-molecular dynamics occur at time scale that are not yet attainable through detailed simulation methods. These limitations are especially noticeable when studying transition paths. To address this issue, we report in this paper two methods that derive meaningful trajectories for proteins between two of their conformations. The first method, MinActionPath, uses approximations of the potential energy surface for the molecule to derive an analytical solution of the equations of motion related to the concept of minimum action path. The second method, RelaxPath, follows the same principle of minimum action path but implements a more sophisticated potential, including a mixed elastic potential and a collision term to alleviate steric clashes. Using this new potential, the equations of motion cannot be solved analytically. We have introduced a relaxation method for solving those equations. We describe both the theories behind the two methods and their implementations, focusing on the specific techniques we have used that make those implementations amenable to study large molecular systems. We have illustrated the performance of RelaxPath on simple 2D systems. We have also compared MinActionPath and RelaxPath to other methods for generating transition paths on a well suited test set of large proteins, for which the end points of the trajectories as well as an intermediate conformation between those end points are known. We have shown that RelaxPath outperforms those other methods, including MinActionPath, in its ability to generate trajectories that get close to the known intermediates. We have also shown that the structures along the RelaxPath trajectories remain protein-like. Open source versions of the two programs MinActionPath and RelaxPath are available by request.

  5. Derivative, Maxima and Minima in a Graphical Context

    ERIC Educational Resources Information Center

    Rivera-Figueroa, Antonio; Ponce-Campuzano, Juan Carlos

    2013-01-01

    A deeper learning of the properties and applications of the derivative for the study of functions may be achieved when teachers present lessons within a highly graphic context, linking the geometric illustrations to formal proofs. Each concept is better understood and more easily retained when it is presented and explained visually using graphs.…

  6. Tunneling from super- to normal-deformed minima in nuclei.

    SciTech Connect

    Khoo, T. L.

    1998-01-08

    An excited minimum, or false vacuum, gives rise to a highly elongated superdeformed (SD) nucleus. A brief review of superdeformation is given, with emphasis on the tunneling from the false to the true vacuum, which occurs in the feeding and decay of SD bands. During the feeding process the tunneling is between hot states, while in the decay it is from a cold to a hot state. The {gamma} spectra connecting SD and normal-deformed (ND) states provide information on several physics issues: the decay mechanism; the spin/parity quantum numbers, energies and microscopic structures of SD bands; the origin of identical SD bands; the quenching of pairing with excitation energy; and the chaoticity of excited ND states at 2.5-5 MeV. Other examples of tunneling in nuclei, which are briefly described, include the possible role of tunneling in {Delta}I = 4 bifurcation in SD bands, sub-barrier fusion and proton emitters.

  7. Grand Minima: Is The Sun Going To Sleep?

    NASA Astrophysics Data System (ADS)

    Mcintosh, S. W.; Leamon, R. J.

    2014-12-01

    We explore recent observational work which indicate that the energetics of the sun's outer atmosphere have been on a steady decline for the past decade and perhaps longer. Futher, we show that new investigations into evolution of the Sun's global magnetic activity appear to demonstrate a path through which the Sun can go into, and exit from, a grand activity minimum without great difficulty while retaining an activity cycle - only losing sunspots. Are we at the begining of a new grand(-ish) minimum? Naturally, only time will tell, but the observational evidence hint that one may not be far off to what impact on the Sun-Earth Connection.

  8. Ocean oxygen minima expansions and their biological impacts

    NASA Astrophysics Data System (ADS)

    Stramma, Lothar; Schmidtko, Sunke; Levin, Lisa A.; Johnson, Gregory C.

    2010-04-01

    Climate models with biogeochemical components predict declines in oceanic dissolved oxygen with global warming. In coastal regimes oxygen deficits represent acute ecosystem perturbations. Here, we estimate dissolved oxygen differences across the global tropical and subtropical oceans within the oxygen minimum zone (200-700-dbar depth) between 1960-1974 (an early period with reliable data) and 1990-2008 (a recent period capturing ocean response to planetary warming). In most regions of the tropical Pacific, Atlantic, and Indian Oceans the oxygen content in the 200-700-dbar layer has declined. Furthermore, at 200 dbar, the area with O 2 <70 μmol kg -1, where some large mobile macro-organisms are unable to abide, has increased by 4.5 million km 2. The tropical low oxygen zones have expanded horizontally and vertically. Subsurface oxygen has decreased adjacent to most continental shelves. However, oxygen has increased in some regions in the subtropical gyres at the depths analyzed. According to literature discussed below, fishing pressure is strong in the open ocean, which may make it difficult to isolate the impact of declining oxygen on fisheries. At shallower depths we predict habitat compression will occur for hypoxia-intolerant taxa, with eventual loss of biodiversity. Should past trends in observed oxygen differences continue into the future, shifts in animal distributions and changes in ecosystem structure could accelerate.

  9. Plural voltage minima in an arc-heated channel flow

    NASA Astrophysics Data System (ADS)

    Sasoh, A.

    2001-04-01

    In flows through a channel with varying cross-sectional area, the impulse and total enthalpy can be increased by superimposing an electrical discharge. The flow field is determined from the inlet flow condition, channel geometry, and discharge specifications. In this study, steady-state, quasi-one-dimensional flows interacting with an arc discharge are computed numerically. Once the arc column configuration is given, the discharge voltage is computed from the solution of flow field variables. For a constant discharge current, there exist plural column configurations which yield a minimum discharge voltage. This result explains the fluid-dynamic mechanisms of the existence of plural voltage modes in an arcjet operation.

  10. Observation of Electronic Structure Minima in High-Harmonic Generation

    SciTech Connect

    Woerner, Hans Jakob; Villeneuve, D. M.; Niikura, Hiromichi; Bertrand, Julien B.; Corkum, P. B.

    2009-03-13

    We report detailed measurements of the high-harmonic spectra generated from argon atoms. The spectra exhibit a deep minimum that is shown to be independent of the laser intensity, and is thus a clear measure of the electronic structure of the atom. We show that exact field-free continuum wave functions reproduce the minimum, but plane wave and Coulomb wave functions do not. This remarkable observation suggests that electronic structure can be accurately determined in high-harmonic experiments despite the presence of the strong laser field. Our results clarify the relation between high-harmonic generation and photoelectron spectroscopy. The use of exact continuum functions also resolves the ambiguity associated with the choice of the dispersion relation.

  11. An ab initio method for locating potential energy minima

    SciTech Connect

    Bock, Nicolas; Peery, Travis; Venneri, Giulia; Chisolm, Eric; Wallace, Duane; Lizarraga, Raquel; Holmstrom, Erik

    2009-01-01

    We study the potential energy landscape underlying the motion of monatomic liquids by quenching from random initial configurations (stochastic configurations) to the nearest local minimum of the potential energy. We show that this procedure reveals the underlying potential energy surface directly. This is in contrast to the common technique of quenching from a molecular dynamics trajectory which does not allow a direct view of the underlying potential energy surface, but needs to be corrected for thermodynamic weighting factors.

  12. High-level ab initio calculations for the four low-lying families of minima of (H2O)20. II. Spectroscopic signatures of the dodecahedron, fused cubes, face-sharing pentagonal prisms, and edge-sharing pentagonal prisms hydrogen bonding networks.

    PubMed

    Fanourgakis, George S; Aprà, Edoardo; de Jong, Wibe A; Xantheas, Sotiris S

    2005-04-01

    We report the first harmonic vibrational spectra for each of the lowest lying isomers within the four major families of minima of (H2O)20, namely, the dodecahedron, fused cubes, face-sharing pentagonal prisms, and edge-sharing pentagonal prisms. These were obtained at the second-order Moller-Plesset perturbation level of theory (MP2) with the augmented correlation consistent basis set of double zeta quality (aug-cc-pVDZ) at the corresponding minimum energy geometries. The computed infrared (IR) spectra are the first ones obtained from first principles for these clusters. They were found to contain spectral features, which can be directly mapped onto the distinctive spectroscopic signatures of their constituent tetramer, pentamer, and octamer fragments. The dodecahedron spectra show the richest structure in the OH stretching region and are associated with the most redshifted OH vibrations with respect to the monomer. The lowest lying edge-sharing pentagonal prism isomer displays intense IR active vibrations that are redshifted by approximately 600 cm(-1) with respect to the water monomer. Furthermore the most redshifted, IR-active OH stretching vibrations for all four networks correspond to hydrogen bonded OH groups, which exhibit the following two common characteristics: (i) they belong to fragments which have a "free" OH stretch and (ii) they act as donors to a neighboring water molecule along a "dimerlike" (strong) hydrogen bond. The zero-point energy corrected MP2/CBS (complete basis set) limit binding energies D(0) for the four isomers are -163.1 kcal/mol (edge-sharing pentagonal prism), -160.1 kcal/mol (face-sharing pentagonal prism), -157.5 kcal/mol (fused cubes), and -148.1 kcal/mol (dodecahedron).

  13. Accelerating the search for global minima on potential energy surfaces using machine learning

    NASA Astrophysics Data System (ADS)

    Carr, S. F.; Garnett, R.; Lo, C. S.

    2016-10-01

    Controlling molecule-surface interactions is key for chemical applications ranging from catalysis to gas sensing. We present a framework for accelerating the search for the global minimum on potential surfaces, corresponding to stable adsorbate-surface structures. We present a technique using Bayesian inference that enables us to predict converged density functional theory potential energies with fewer self-consistent field iterations. We then discuss how this technique fits in with the Bayesian Active Site Calculator, which applies Bayesian optimization to the problem. We demonstrate the performance of our framework using a hematite (Fe2O3) surface and present the adsorption sites found by our global optimization method for various simple hydrocarbons on the rutile TiO2 (110) surface.

  14. First report of leaf rust of blueberry caused by Thekopsora minima in Mexico

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Blueberry (Vaccinium corymbosum L.) is becoming an important crop in the states of Jalisco and Michoacan in Mexico. As the area under blueberry cultivation increases, new diseases causing severe losses are appearing. Leaf rust is one of the most destructive diseases of blueberry in Mexico. Sori on t...

  15. Neural network exponential fitting of a potential energy surface with multiple minima: Application to HFCO

    NASA Astrophysics Data System (ADS)

    Pradhan, Ekadashi; Brown, Alex

    2016-12-01

    We have constructed a (semi)-global six-dimensional potential energy surface (PES) for HFCO, incorporating the equilibrium, cis- and trans- isomers (HOCF) as well as the transition states connecting them. The PES is based on a fit to 15000 CCSD(T)-F12/cc-pVTZ-F12 ab initio energies. The sum-of-products PES, obtained using neural network exponential fitting functions, was used to compute vibrational state frequencies using block improved relaxation with the multiconfiguration time dependent Hartree (MCTDH) approach. The PES is accurate (RMSE = 130 cm-1) up to 40,000 cm-1 above the minimum energy. The equilibrium region of the PES was fit very well based on a comparison of the vibrational frequencies with those from a recent local HFCO PES (Pradhan and Brown, 2016) and experimental measurements (RMSE = 10.9 cm-1 compared to experiment). The vibrational frequencies for the trans- and cis-isomers are computed from the PES and compared to anharmonic MP2/aug-cc-pVTZ and CCSD(T)/aug-cc-pVTZ results; the trans- and cis-isomers have yet to be detected experimentally. Based on the accuracy of the vibrational energies at equilibrium, the present results for the cis- and trans-isomers could facilitate the identification of these species. The PES will also enable the study of intramolecular vibrational energy redistribution and its control leading to the elusive equilibrium HFCO to trans-HOCF conversion.

  16. VizieR Online Data Catalog: Massive LMC eclipsing binaries minima timings (Zasche+, 2016)

    NASA Astrophysics Data System (ADS)

    Zasche, P.; Wolf, M.; Vrastil, J.; Pilarcik, L.; Jurysek, J.

    2016-04-01

    For the first time, in this study we derived the relatively short periods of modulation in these systems, which relates to third bodies. The orbital periods resulted from 3.6 to 11.3yr and the eccentricities were found to be up to 0.64. This is the first time that this kind of analysis for the set of extragalactic sources has been performed. The Wolf-Rayet system OGLE-LMC-ECL-08823 is the most mysterious one, owing to the resultant high mass function. Another system, OGLE-LMC-ECL-19996, was found to contain a third body with a very high mass (M3,min=26M⊙). One system (OGLE-LMC-ECL-09971) is suspicious because of its eccentricity, and another one (OGLE-LMC-ECL-20162) shows some light curve variability, with a possible flare-like or microlensing-like event. (2 data files).

  17. Design of structure/control systems with transient response constraints exhibiting relative minima

    NASA Technical Reports Server (NTRS)

    Sepulveda, A. E.; Jin, I. M.

    1992-01-01

    Structural optimization problems involving dynamic behavior constraints often exhibit nonconvex design spaces. The direct application of a global optimization algorithm requires a large number of function evaluations which in term require a large number of dynamic structural analyses. This work presents a strategy aimed at finding the global optimum for problems with transient dynamic behavior constraints based on approximation concepts. The method consists of generating and solving a sequence of approximate problems using a global optimizer. The approximations are explicit and capture the inherent nonconvexity of the exact functions. A simple example problem is presented.

  18. Radar Inaccuracies and Mid-Air Collision Risk: Part 2 En Route Radar Separation Minima

    NASA Astrophysics Data System (ADS)

    Brooker, Peter

    2004-01-01

    A review of safety targets for en route ATC radar separation suggests that the existing target level of safety (TLS) is over-cautious. If risk budgeting principles are followed consistently, a ‘radar TLS’ of 1·0×10[minus sign]9 fatal aircraft accidents per flying hour is appropriate. This rate is consistent with Joint Aviation Authorities (JAA) guidance on system failure conditions leading to catastrophic accidents. Dynamic and static calculations using published data are compared. The new methodology shows where there are problems with the traditional static calculations, and how to improve the estimation. A further improvement introduces a simple robust model of the controller's decision processes. The focus is not on describing what controllers would generally do, but on setting criteria based on what they could not reasonably be expected to do. This additional ingredient into the calculation adds realism and ensures that attention is focused on hazardous correlated errors. Focused data collection would be an essential component of new risk estimates. The key information required would be on radar performance and the nature and frequency of use of radar separation, including the relative velocities for proximate events at closest point of approach and the frequency of correlated gross errors (through a conditional probability factor). If this factor is not properly taken into account, then the data collection and analysis could be inefficient.

  19. GRAND MINIMA AND EQUATORWARD PROPAGATION IN A CYCLING STELLAR CONVECTIVE DYNAMO

    SciTech Connect

    Augustson, Kyle; Miesch, Mark; Brun, Allan Sacha

    2015-08-20

    The 3D MHD Anelastic Spherical Harmonic code, using slope-limited diffusion, is employed to capture convective and dynamo processes achieved in a global-scale stellar convection simulation for a model solar-mass star rotating at three times the solar rate. The dynamo-generated magnetic fields possesses many timescales, with a prominent polarity cycle occurring roughly every 6.2 years. The magnetic field forms large-scale toroidal wreaths, whose formation is tied to the low Rossby number of the convection in this simulation. The polarity reversals are linked to the weakened differential rotation and a resistive collapse of the large-scale magnetic field. An equatorial migration of the magnetic field is seen, which is due to the strong modulation of the differential rotation rather than a dynamo wave. A poleward migration of magnetic flux from the equator eventually leads to the reversal of the polarity of the high-latitude magnetic field. This simulation also enters an interval with reduced magnetic energy at low latitudes lasting roughly 16 years (about 2.5 polarity cycles), during which the polarity cycles are disrupted and after which the dynamo recovers its regular polarity cycles. An analysis of this grand minimum reveals that it likely arises through the interplay of symmetric and antisymmetric dynamo families. This intermittent dynamo state potentially results from the simulation’s relatively low magnetic Prandtl number. A mean-field-based analysis of this dynamo simulation demonstrates that it is of the α-Ω type. The timescales that appear to be relevant to the magnetic polarity reversal are also identified.

  20. Comparing the Internal Structure of the Sun During the Cycle 23 and Cycle 24 Minima

    NASA Astrophysics Data System (ADS)

    Basu, S.; Broomhall, A.-M.; Chaplin, W. J.; Elsworth, Y.; Davies, G. R.; Schou, J.; Larson, T. P.

    2013-12-01

    The Birmingham Solar-Oscillations Network (BiSON) has been collecting helioseismic data for the last three solar cycles. We use these data to determine whether the internal properties of the Sun during the minimum preceding cycle 24 was different compared to that preceding cycle 23.

  1. Theoretical studies of the global minima and polarizabilities of small lithium clusters

    SciTech Connect

    Hu, Hanshi; Zhao, Ya-Fan; Hammond, Jeffrey R.; Bylaska, Eric J.; Apra, Edoardo; van Dam, Hubertus JJ; Li, Jun; Govind, Niranjan; Kowalski, Karol

    2016-01-16

    Lithium clusters Lin (n=1-20) have been investigated with density functional theory (DFT) and coupled—cluster (CC) methods. The global-minimum structures are located via an improved basin---hopping algorithm and the lowest energy Lin isomers are confirmed with DFT geometry optimizations, CCSD(T) energy calculations, and by comparing simulated and experimental polarizabilities. The tetrahedral Li4 structure is found to be the basic building block of lithium clusters Lin (n=6-20). Simulated polarizabilities, including thermal effects at room temperature, are in good agreement with measured isotropic polarizabilities.

  2. VizieR Online Data Catalog: Minima of 41 binaries from entire Kepler mission (Gies+, 2015)

    NASA Astrophysics Data System (ADS)

    Gies, D. R.; Matson, R. A.; Guo, Z.; Lester, K. V.; Orosz, J. A.; Peters, G. J.

    2016-06-01

    We embarked on a search for eclipse timing variations among a subset of 41 eclipsing binaries that were identified prior to the start of Kepler observations (see our first paper, Gies et al. 2012, cat. J/AJ/143/137). Our first paper documented the eclipse times in observations made over quarters Q0-Q9 (2009.3-2011.5). Now with the Kepler mission complete with observations through Q17 (ending 2013.4), we present here the eclipse timings for our sample of 41 binaries over the entire duration of the mission. The associated times given in our first paper were based upon UTC (Coordinated Universal Time) while the current set uses TDB (Barycentric Dynamical Time), and here we report the times in reduced Barycentric Julian Date (BJD-2400000 days). We used the Simple Aperture Photometry (SAP) flux except in the case of KIC04678873. The list of targets appears in Table1. The eclipse timing measurements were made in almost the same way as described in our first paper. Our measurements appear in Table2. (2 data files).

  3. Transporting and manipulating single electrons in surface-acoustic-wave minima

    NASA Astrophysics Data System (ADS)

    Ford, Christopher J. B.

    2017-03-01

    A surface acoustic wave (SAW) can produce a moving potential wave that can trap and drag electrons along with it. We review work on using a SAW to create moving quantum dots containing single electrons, with the aims of developing a current standard, emitting single photons, transferring single electrons between static quantum dots, and investigating non-adiabatic effects.

  4. The GSAM software: A global search algorithm of minima exploration for the investigation of low lying isomers of clusters

    SciTech Connect

    Marchal, Rémi; Carbonnière, Philippe; Pouchan, Claude

    2015-01-22

    The study of atomic clusters has become an increasingly active area of research in the recent years because of the fundamental interest in studying a completely new area that can bridge the gap between atomic and solid state physics. Due to their specific properties, such compounds are of great interest in the field of nanotechnology [1,2]. Here, we would present our GSAM algorithm based on a DFT exploration of the PES to find the low lying isomers of such compounds. This algorithm includes the generation of an intial set of structure from which the most relevant are selected. Moreover, an optimization process, called raking optimization, able to discard step by step all the non physically reasonnable configurations have been implemented to reduce the computational cost of this algorithm. Structural properties of Ga{sub n}Asm clusters will be presented as an illustration of the method.

  5. The Local Minima Problem in Hierarchical Classes Analysis: An Evaluation of a Simulated Annealing Algorithm and Various Multistart Procedures

    ERIC Educational Resources Information Center

    Ceulemans, Eva; Van Mechelen, Iven; Leenen, Iwin

    2007-01-01

    Hierarchical classes models are quasi-order retaining Boolean decomposition models for N-way N-mode binary data. To fit these models to data, rationally started alternating least squares (or, equivalently, alternating least absolute deviations) algorithms have been proposed. Extensive simulation studies showed that these algorithms succeed quite…

  6. HfO{sub 2} dielectric thickness dependence of electrical properties in graphene field effect transistors with double conductance minima

    SciTech Connect

    Zhang, Cheng; Xie, Dan Xu, Jian-Long; Sun, Yi-Lin; Dai, Rui-Xuan; Li, Xian; Li, Xin-Ming; Zhu, Hong-Wei

    2015-10-14

    We investigate the electrical properties in back-gated graphene field effect transistors (GFETs) with SiO{sub 2} dielectric and different thickness of high-k HfO{sub 2} dielectric. The results show that transform characteristic (I{sub ds}–V{sub gs}) curves of GFETs are uniquely W-shaped with two charge neutrality point (left and right) in both SiO{sub 2} and HfO{sub 2} dielectric (SiO{sub 2}-GFETs and HfO{sub 2}-GFETs). The gate voltage reduces drastically in HfO{sub 2}-GFETs compared with that in SiO{sub 2}-GFETs, and it becomes much smaller with the decline of HfO{sub 2} thickness. The left charge neutrality point in I{sub d}–V{sub g} curves of all HfO{sub 2}-GFETs is negative, compared to the positive ones in SiO{sub 2}-GFETs, which means that there exists n-doping in graphene with HfO{sub 2} as bottom dielectric. We speculate that this n-doping comes from the HfO{sub 2} layer, which brings fixed charged impurities in close proximity to graphene. The carrier mobility is also researched, demonstrating a decreasing trend of hole mobility in HfO{sub 2}-GFETs contrast to that in SiO{sub 2}-GFETs. In a series of HfO{sub 2}-GFETs with different HfO{sub 2} dielectric thickness, the hole mobility shows a tendency of rise when the thickness decreases to 7 nm. The possible reason might be due to the introduced impurities into HfO{sub 2} film from atomic layer deposition process, the concentration of which varies from the thickness of HfO{sub 2} layer.

  7. Limited poleward influence of relative humidity and controls on the positions of the subtropical relative humidity minima

    NASA Astrophysics Data System (ADS)

    O'Gorman, P. A.; Lamquin, N.; Schneider, T.; Singh, M. S.

    2011-12-01

    Dairy manure is a large potential source of agriculturally-derived greenhouse gases, but few studies have compared source locations or management strategies, nor evaluated how well emissions factors capture actual emission rates. We compiled published data on field-scale measurements of greenhouse gas emissions from working and research dairies and compared these to rates predicted by the IPCC Tier 2 approach. Greenhouse gas emissions varied by several orders of magnitude from all sources due to the heterogeneity of surface conditions and manure composition, the length of sampling, and the measurement technique. Anaerobic lagoons were the largest source of methane (1097 × 591 g hd-1 d-1), over twice that from enteric fermentation (~350 g hd-1 d-1). Corrals and manure piles were the largest sources of nitrous oxide. Methane and nitrous oxide emissions from hardstandings and barn floors were negligible. Predicted methane emissions underestimated measured fluxes for slurry tanks, barns, and whole dairies. Predicted nitrous oxide emissions underestimated anaerobic lagoon fluxes but overestimated emissions from slurry tanks and barn floors. Refining these calculations requires: 1) within-site comparisons of measurement techniques, 2) multiple year data sets, 3) within-site comparisons across measurement scales, and 4) better metadata to constrain greenhouse gas emission models.

  8. Curvature and the Visual Perception of Shape: Theory on Information along Object Boundaries and the Minima Rule Revisited

    ERIC Educational Resources Information Center

    Lim, Ik Soo; Leek, E. Charles

    2012-01-01

    Previous empirical studies have shown that information along visual contours is known to be concentrated in regions of high magnitude of curvature, and, for closed contours, segments of negative curvature (i.e., concave segments) carry greater perceptual relevance than corresponding regions of positive curvature (i.e., convex segments). Lately,…

  9. Pronounced Minima in Tropospheric Ozone and OH above the Tropical West Pacific and their Role for Stratospheric Composition

    NASA Astrophysics Data System (ADS)

    Rex, M.; Wohltmann, I.; Lehmann, R.; Rosenlof, K. H.; Wennberg, P. O.; Weisenstein, D. K.; Notholt, J.; Krüger, K.; Mohr, V.; Tegtmeier, S.

    2014-12-01

    Hundreds of organic species are emitted into the atmosphere mostly from biogenic processes. The rapid breakdown by reactions with OH radicals prevents most of them from reaching the stratosphere. Hence, the omnipresent layer of OH in the troposphere shields the stratosphere from these emissions and is particularly relevant for those species that do not photolyse efficiently. Reactions involving ozone are a strong source of OH in clean tropical air. Hence the OH concentration is closely coupled to ozone abundances. The Western Pacific warm pool is key for troposphere to stratosphere exchange. We report measurements of 14 ozonesondes launched during the Transbrom ship cruise through the center of the warm pool. During a 2500km portion of the ship track between 10S and 15N we found ozone concentrations below the detection limit of the sondes throughout the troposphere. We will discuss the uncertainties of ozonesonde measurements at very low ozone concentrations, the robustness of our observations and the upper limit of the ozone concentration that would be consistent with our raw data. Based on modelling and measurements of OH on the ER-2 during the STRAT campaign we suggest that there also is a pronounced minimum in the tropospheric column of OH over the tropical West Pacific. We show that this increases the lifetime of chemical species and has the potential to amplify the impact of surface emissions on the stratospheric composition. Specifically, we discuss the role of emissions of biogenic halogenated species from this geographic region for stratospheric ozone depletion. Also, we discuss the potential role of increasing anthropogenic emissions of SO2 in South East Asia or from minor volcanic eruptions for the stratospheric aerosol budget.

  10. Migration, fidelity, and use of autumn staging grounds in Alaska by Cackling Canada Geese Branta canadensis minima

    USGS Publications Warehouse

    Gill, Robert; Babcock, Christopher; Handel, Colleen M.; Butler, William R.; Raveling, Dennis G.

    1996-01-01

    Cackling Canada Geese were studied annually (1985-88) on autumn migration staging areas in Alaska during a period of rapid population growth. Geese concentrated at two estuaries (Ugashik Bay and Cinder Lagoon) along the north side of the Alaska Peninsula. Birds arrived on the staging areas in late September, numbers peaked during mid-October, and departure occurred by late October or early November. Annual peak counts combined for the two staging areas ranged from 16,000-54,000 geese, or from 23-120% of the autumn population index. Up to 30,000 geese were recorded at each estuary, but relative use of the two staging areas varied among years. Within-year fidelity to staging areas was high; only three of 242 neck-banded geese seen more than once were observed at both areas within a season. Between-year fidelity to staging areas was highest among hatching-year females (11 of 11) and adult males (14 of 17), lowest among hatching-year males (4 of 9), and intermediate among adult females (18 of 28). Use of the two staging areas was independent of family status, reproductive status, and age. Late arrivals on the staging areas consisted of a higher proportion of single and paired birds than of geese in family groups. Most geese departed the staging grounds with the onset of freezing conditions and the passage of low pressure systems that produced winds favourable for migration. Transoceanic flights to the wintering grounds in Oregon and California were completed in about 48 h. During years with mild weather on the breeding grounds and years with early freezing conditions on the staging areas, few geese staged on the Alaska Peninsula, indicating that geese can sometimes obtain sufficient energy reserves to migrate directly from the breeding grounds without stopping on the staging areas. Only 25% of the area used for staging is legally protected. Use of unprotected areas may become increasingly important if the population continues to increase.

  11. On the crossing points of the Lamb modes and the maxima and minima of displacements observed at the surface☆

    PubMed Central

    Veres, István A.; Berer, Thomas; Grünsteidl, Clemens; Burgholzer, Peter

    2014-01-01

    This article elaborates on the crossing points of the frequency–wavenumber branches for the symmetric and anti-symmetric Lamb modes in a homogeneous plate. It is shown both theoretically as well as experimentally that at these crossing points either the normal or the longitudinal components of modal displacement attain an extreme value, i.e. a maximum or it vanishes. This behavior is assessed herein using a method due to Mindlin, who showed that the dispersion curves for a plate with mixed boundary conditions – which are associated with uncoupled shear and dilatational modes – provide bounds to the spectral lines of the free plate. Therefore, a subset of the crossing points of the symmetric and antisymmetric Lamb modes for a free plate coincide with the crossing points for a plate with mixed boundary conditions. PMID:24268025

  12. Bromine enrichment in marsh sediments as a marker of environmental changes driven by Grand Solar Minima and anthropogenic activity (Caminha, NW of Portugal).

    PubMed

    Moreno, J; Fatela, F; Leorri, E; Araújo, M F; Moreno, F; De la Rosa, J; Freitas, M C; Valente, T; Corbett, D R

    2015-02-15

    A sediment core collected in Caminha tidal marsh, NW Portugal, was used to assess bromine (Br) signal over the last ca. 1,700 years. The Br temporal variability reflects its close relationship with soil/sediment organic matter (OM) and also alterations in Br biogeochemical recycling in marsh environment. The highest Br enrichment in sediments was found during the Maunder Solar Minimum, a major solar event characterized by lower irradiance (TSI) and temperature, increased cloudiness and albedo. The obtained results suggest that those climate-induced changes weakened the natural mechanisms that promote Br biochemical transformations, driven by both living plants metabolism and plant litter degradation, with the ensuing generation of volatile methyl bromide (CH3Br). It seems that the prevailing climate conditions during the Maunder favoured the retention of more Br in marsh ecosystem, ultimately decreasing the biogenic Br emissions to the atmosphere. During the 20th century, the Br pattern in sediments appears to mirror likewise anthropogenic sources. The significant correlation (p<0.05) between Br/OM ratios and Pb contents in sediments after 1934 suggests a common source. This is most probably related with the rise, massive consumption and prohibition of leaded gasoline, where ethylene dibromide was added as lead scavenger to antiknock mixtures. More regionally, the concerted use of flame retardants on forest fire management, covering the 1980s through mid-1990s in the north of Portugal and Galicia, could be responsible for the observed increase of sediment Br (relatively to Pb) pool of this tidal marsh. Although man-made brominated compounds are being phased-out since the inception of the 1992 Montreal Protocol, the Caminha tidal marsh sedimentary record showed that Br levels only started to decline after 2002.

  13. Emergent phase shift between diurnal transpiration maxima and stream flow minima during base flow as diagnostic of eco-hydrologic interactions in landscapes

    NASA Astrophysics Data System (ADS)

    Zanardo, Stefano; Hilberts, Arno; Foufoula-Georgiou, Efi; Dietrich, William

    2014-05-01

    Diurnal oscillations in river base flow are frequently observed in hydrological datasets, yet have only been examined in a few, exploratory studies. In this work we focus on the oscillation shift between base flow and the forcing signal, which, in the case study at hand, is essentially dominated by the tree transpiration oscillation. This quantity characterizes the propagation time of the forcing throughout the river basin, and will be referred to as Eco-hydrological Phase Shift (EHPS). In principle, it is reasonable to hypothesize that EHPS depends on the combination of hillslope and channel characteristic transport times, however it is unclear whether and how its value varies over a range of spatial scales. This is the central question of the study. We analyzed base flow data collected between 2009 and 2012 in 8 stations within the Eel river basin (Mendocino county, CA), where the typical Mediterranean climate allows for long, undisturbed summer base flow recessions. The drainage areas relative to each gauging station span over four orders of magnitude, ranging from ~10 km2 to ~10000 km2. We found that, despite the wide range of spatial scales, EHPS by late summer tends to a remarkably narrow range of values, between 8 and 11 hours for all the stations considered. This implies that the timing of diurnal oscillations is dominated by hillslope rather than river network processes, even at large spatial scales. We then propose a simple, conceptual model to explore the hillslope controls on EHPS. The framework allows deriving analytical expressions for EHPS under different 'behavioral assumptions' for vegetation water-use. Results show that, within this framework, a delay of 8-11 hours can only be observed if tree roots exclusively use water from the unsaturated zone and variations within that range are due to different signal propagation times in both the unsaturated and the saturated zone. This analysis demonstrates that EHPS represents a scale-invariant signature of river basins and can be used to further explore the eco-hydrological interactions between hillslopes and streams.

  14. Exploiting Free-Energy Minima to Design Novel EphA2 Protein-Protein Antagonists: From Simulation to Experiment and Return.

    PubMed

    Russo, Simonetta; Callegari, Donatella; Incerti, Matteo; Pala, Daniele; Giorgio, Carmine; Brunetti, Jlenia; Bracci, Luisa; Vicini, Paola; Barocelli, Elisabetta; Capoferri, Luigi; Rivara, Silvia; Tognolini, Massimiliano; Mor, Marco; Lodola, Alessio

    2016-06-06

    The free-energy surface (FES) of protein-ligand binding contains information useful for drug design. Here we show how to exploit a free-energy minimum of a protein-ligand complex identified by metadynamics simulations to design a new EphA2 antagonist with improved inhibitory potency.

  15. He II λ4686 Emission from the Massive Binary System in η Car: Constraints to the Orbital Elements and the Nature of the Periodic Minima

    NASA Astrophysics Data System (ADS)

    Teodoro, M.; Damineli, A.; Heathcote, B.; Richardson, N. D.; Moffat, A. F. J.; St-Jean, L.; Russell, C.; Gull, T. R.; Madura, T. I.; Pollard, K. R.; Walter, F.; Coimbra, A.; Prates, R.; Fernández-Lajús, E.; Gamen, R. C.; Hickel, G.; Henrique, W.; Navarete, F.; Andrade, T.; Jablonski, F.; Luckas, P.; Locke, M.; Powles, J.; Bohlsen, T.; Chini, R.; Corcoran, M. F.; Hamaguchi, K.; Groh, J. H.; Hillier, D. J.; Weigelt, G.

    2016-03-01

    Eta Carinae (η Car) is an extremely massive binary system in which rapid spectrum variations occur near periastron. Most notably, near periastron the He ii λ4686 line increases rapidly in strength, drops to a minimum value, then increases briefly before fading away. To understand this behavior, we conducted an intense spectroscopic monitoring of the He ii λ4686 emission line across the 2014.6 periastron passage using ground- and space-based telescopes. Comparison with previous data confirmed the overall repeatability of the line equivalent width (EW), radial velocities, and the timing of the minimum, though the strongest peak was systematically larger in 2014 than in 2009 by 26%. The EW variations, combined with other measurements, yield an orbital period of 2022.7 ± 0.3 days. The observed variability of the EW was reproduced by a model in which the line flux primarily arises at the apex of the wind-wind collision and scales inversely with the square of the stellar separation, if we account for the excess emission as the companion star plunges into the hot inner layers of the primary’s atmosphere, and including absorption from the disturbed primary wind between the source and the observer. This model constrains the orbital inclination to 135°-153°, and the longitude of periastron to 234°-252°. It also suggests that periastron passage occurred on {T}0=2456874.4\\quad (+/- 1.3 days). Our model also reproduced EW variations from a polar view of the primary star as determined from the observed He ii λ 4686 emission scattered off the Homunculus nebula. Based in part on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555. These observations are associated with program numbers 11506, 12013, 12508, 12750, and 13054. Support for program numbers 12013, 12508, and 12750 was provided by NASA through a grant from the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555.

  16. Temperature minima in the average thermal structure of the middle mesosphere (70 - 80 km) from analysis of 40- to 92-km SME global temperature profiles

    NASA Technical Reports Server (NTRS)

    Clancy, R. Todd; Rusch, David W.; Callan, Michael T.

    1994-01-01

    Global temperatures have been derived for the upper stratosphere and mesosphere from analysis of Solar Mesosphere Explorer (SME) limb radiance profiles. The SME temperature represent fixed local time observations at 1400 - 1500 LT, with partial zonal coverage of 3 - 5 longitudes per day over the 1982-1986 period. These new SME temperatures are compared to the COSPAR International Ionosphere Reference Atmosphere 86 (CIRA 86) climatology (Fleming et al., 1990) as well as stratospheric and mesospheric sounder (SAMS); Barnett and Corney, 1984), National Meteorological Center (NMC); (Gelman et al., 1986), and individual lidar and rocket observations. Significant areas of disagreement between the SME and CIRA 86 mesospheric temperatures are 10 K warmer SME temperatures at altitudes above 80 km. The 1981-1982 SAMS temperatures are in much closer agreement with the SME temperatures between 40 and 75 km. Although much of the SME-CIRA 86 disagreement probably stems from the poor vertical resolution of the observations comprising the CIRA 86 modelm, some portion of the differences may reflect 5- to 10-year temporal variations in mesospheric temperatures. The CIRA 86 climatology is based on 1973-1978 measurements. Relatively large (1 K/yr) 5- to 10-year trends in temperatures as functions of longitude, latitude, and altitude have been observed for both the upper stratosphere (Clancy and Rusch, 1989a) and mesosphere (Clancy and Rusch, 1989b; Hauchecorne et al., 1991). The SME temperatures also exhibit enhanced amplitudes for the semiannual oscillation (SAO) of upper mesospheric temperatures at low latitudes, which are not evident in the CIRA 86 climatology. The so-called mesospheric `temperature inversions' at wintertime midlatitudes, which have been observed by ground-based lidar (Hauschecorne et al., 1987) and rocket in situ measurements (Schmidlin, 1976), are shown to be a climatological aspect of the mesosphere, based on the SME observations.

  17. New Ulvaceae (Ulvophyceae, Chlorophyta) from mesophotic ecosystems across the Hawaiian Archipelago.

    PubMed

    Spalding, Heather L; Conklin, Kimberly Y; Smith, Celia M; O'Kelly, Charles J; Sherwood, Alison R

    2016-02-01

    Ulvalean algae (Chlorophyta) are most commonly described from intertidal and shallow subtidal marine environments worldwide, but are less well known from mesophotic environments. Their morphological simplicity and phenotypic plasticity make accurate species determinations difficult, even at the generic level. Here, we describe the mesophotic Ulvales species composition from 13 locations across 2,300 km of the Hawaiian Archipelago. Twenty-eight representative Ulvales specimens from 64 to 125 m depths were collected using technical diving, submersibles, and remotely operated vehicles. Morphological and molecular characters suggest that mesophotic Ulvales in Hawaiian waters form unique communities comprising four species within the genera Ulva and Umbraulva, each with discrete geographic and/or depth-related distributional patterns. Three genetically distinct taxa are supported by both plastid (rbcL and tufA) and nuclear (ITS1) markers, and are presented here as new species: Umbraulva kaloakulau, Ulva ohiohilulu, and Ulva iliohaha. We also propose a new Umbraulva species (Umbraulva kuaweuweu), which is closely related to subtidal records from New Zealand and Australia, but not formally described. To our knowledge, these are the first marine species descriptions from Hawai'i resulting from the collaboration of traditional Hawaiian nomenclature specialists, cultural practitioners and scientists. The difficulty of finding reliable diagnostic morphological characters for these species reflects a common problem worldwide of achieving accurate identification of ulvalean taxa using solely morphological criteria. Mesophotic Ulvales appear to be distinct from shallow-water populations in Hawai'i, but their degree of similarity to mesophotic floras in other locations in the Pacific remains unknown.

  18. Macroalage as a source of alpha-glucosidase inhibitors

    NASA Astrophysics Data System (ADS)

    Li, Xiancui; Niu, Rongli; Fan, Xiao; Han, Lijun; Zhang, Lixin

    2005-09-01

    Alpha-glucosidase inhibitors were screened from organic solvent extracts of macroalgae by a spectrophotometrical method with p-nitrophenyl-D-glucopyranosidase as the substrate. The result indicates that organic crude extracts from some macroalgae such as Rhodomela confervoides (Huds.) Silva, Gracilaria textorii (Suringar) De Toni, Plocamium telfairiae Harv., Dictyopteris divaricata (Okam.) Okam, Ulval pertusa and Enteromorpha intestinalis (L.) Link et al. show strong inhibitory activity of alpha-glucosidase at concentration of 79.6 μg/ml.

  19. Investigations on the feeding habits of the rocky-shore mite Hyadesia fusca (Acari: Astigmata: Hyadesiidae): diet range, food preference, food quality, and the implications for distribution patterns

    NASA Astrophysics Data System (ADS)

    Bücking, Jens

    1998-06-01

    Within the food web of estuarine and marine rocky shore ecosystems phytophagous mites of terrestrial and marine origin constitute an important part as grazers on algae and as a food source for certain arthropods, especially zoophagous mites. This investigation deals with the feeding biology of Hyadesia fusca taking as an example a population located on an artificial rocky shore of the middle Weser estuary in Northern Germany. The species is characterized by a broad diet range; in feeding experiments diatoms, lichens, detritus as well as blue, red and green algae were accepted. Even analyses of faecal pellets produced by field specimen suggest a non-specific feeding habit. However, the influence of certain diets on mortality, offspring number and rearing success showed that the food quality differs significantly. The most suitable food, the Ulvaceae Blidingia, was clearly preferred in a series of pairwise choice tests. These findings correlate with the vertical zonation of the field population i.e.: higher population densities in the vegetation zone dominated by Blidingia. It can be concluded that in addition to abiotic factors food supply could play an important role for distribution patterns of phytophagous mites.

  20. Temporal variation of green macroalgal assemblage on Porphyra aquaculture rafts in the Subei Shoal, China

    NASA Astrophysics Data System (ADS)

    Fan, Shiliang; Fu, Mingzhu; Wang, Zongling; Zhang, Xuelei; Song, Wei; Li, Yan; Liu, Guangxing; Shi, Xiaoyong; Wang, Xiaona; Zhu, Mingyuan

    2015-09-01

    Previous studies showed that Ulva prolifera caused green tides in the Yellow Sea were very possible from the facilities of Porphyra aquaculture. To confirm the origin of green algae, the assemblage of fouling macroalgae growing on rafts were investigated from early March to the middle of May across the growing season. The results showed that the fouling green macroalgae increased rapidly and reached to the maximum in biomass during mid-May. Six species, including Blidingia sp., U. prolifera, Ulva linza, Ulva compressa, Ulva intestinalis and Ulva clathrata were identified from the rafts. In early March, the dominant species were U. compressa, U. intestinalis and U. clathrata; while they shifted to Blidingia sp. and U. prolifera in late March to middle May. This study indicated that the changes in sea temperature might affect the nutrient uptake rate of the green macroalgae, and then affect the temporal variation in the raft-fouling green macroalgae. The biomass of U. prolifera was sufficient to seed a massive green tides, based on its high growth rate.

  1. A consensus secondary structure of ITS2 in the chlorophyta identified by phylogenetic reconstruction.

    PubMed

    Caisová, Lenka; Marin, Birger; Melkonian, Michael

    2013-07-01

    The definition of species plays a pivotal role in biology. It has been proposed that Compensatory Base Changes (CBCs) in the fast-evolving Internal Transcribed Spacer 2 (ITS2) correlate with speciation and thus can be used to distinguish species. The applicability of CBC - based species concepts using ITS2, however, rests on the homology of the investigated ITS2 positions. We studied the ITS2 molecule of 147 strains of Chlorophyceae (Chlorophyta, Viridiplantae) including 26 new sequences in the order Chaetophorales, and compared their secondary structures to ITS2 in the sister class Ulvophyceae, represented by the order Ulvales. Using a phylogenetic/comparative approach, it was possible to identify 1) the first consensus structure model of the ITS2 molecule that can be applied to two classes of green algae [Ulvophyceae (Ulvales), Chlorophyceae] and 2) landmarks (the spacer regions separating the ITS2 Helices) for more robust prediction of the secondary structures in green algae. Moreover, we found that CBCs in homologous positions in these 147 strains (representing 115 validly described species) are either completely absent or mostly associated with internal branches representing higher order taxonomic levels (genera, families, orders). As reported for the Ulvales, CBCs are not diagnostic at the species level in the dataset used.

  2. Specific heat to Hc2: Evidence for nodes or deep minima in the superconducting gap of underdoped and overdoped Ba(Fe1–xCox)₂As₂

    SciTech Connect

    Kim, J. S.; Faeth, B. D.; Wang, Y.; Hirschfeld, P. J.; Stewart, G. R.; Gofryk, K.; Ronning, F.; Sefat, A. S.; Choi, K. Y.; Kim, K. H.

    2012-07-13

    Low-temperature specific heat, C, in magnetic fields up to Hc2 is reported for underdoped Ba(Fe₀.₉₅₅Co₀.₀₄₅)₂As₂ (Tc = 8 K) and for three overdoped samples Ba(Fe₁₋xCox)₂As₂ (x = 0.103, 0.13, and 0.15; Tc = 17.2, 16.5, and 11.7 K, respectively). Previous measurements of thermal conductivity (as a function of temperature and field) and penetration depth on comparable-composition samples gave some disagreement as to whether there was fully gapped/nodal behavior in the under-/overdoped materials, respectively. The present work shows that the measured behavior of the specific heat γ (∝C/T as T → 0, i.e., a measure of the electronic density of states at the Fermi energy) as a function of field approximately obeys γ ∝ H0.5±0.1, similar to the Volovik effect for nodal superconductors, for both the underdoped and the most overdoped Co samples. However, for the two overdoped compositions x = 0.103 and 0.13, the low-field (H ≤ 10 T) data show a Volovik-like behavior of γ ∝ H0.3–0.4, followed by an inflection point, followed at higher fields by γ ∝ H¹. We argue that, within the two-band theory of superconductivity, an inflection point may occur if the interband coupling is dominant.

  3. Specific heat to Hc2: Evidence for nodes or deep minima in the superconducting gap of underdoped and overdoped Ba(Fe1–xCox)₂As₂

    DOE PAGES

    Kim, J. S.; Faeth, B. D.; Wang, Y.; ...

    2012-07-13

    Low-temperature specific heat, C, in magnetic fields up to Hc2 is reported for underdoped Ba(Fe₀.₉₅₅Co₀.₀₄₅)₂As₂ (Tc = 8 K) and for three overdoped samples Ba(Fe₁₋xCox)₂As₂ (x = 0.103, 0.13, and 0.15; Tc = 17.2, 16.5, and 11.7 K, respectively). Previous measurements of thermal conductivity (as a function of temperature and field) and penetration depth on comparable-composition samples gave some disagreement as to whether there was fully gapped/nodal behavior in the under-/overdoped materials, respectively. The present work shows that the measured behavior of the specific heat γ (∝C/T as T → 0, i.e., a measure of the electronic density of statesmore » at the Fermi energy) as a function of field approximately obeys γ ∝ H0.5±0.1, similar to the Volovik effect for nodal superconductors, for both the underdoped and the most overdoped Co samples. However, for the two overdoped compositions x = 0.103 and 0.13, the low-field (H ≤ 10 T) data show a Volovik-like behavior of γ ∝ H0.3–0.4, followed by an inflection point, followed at higher fields by γ ∝ H¹. We argue that, within the two-band theory of superconductivity, an inflection point may occur if the interband coupling is dominant.« less

  4. Seasonal variations of vegetation patterns and biomass constituents in the rocky eulittoral of Helgoland

    NASA Astrophysics Data System (ADS)

    Munda, I. M.; Markham, J. W.

    1982-06-01

    Seasonal changes in vegetation patterns and biomass of benthic algae were recorded over a 14-month period in the rocky eulittoral of the North Sea island of Helgoland. The area is characterized by the dominance of Fucus serratus throughout most of the eulittoral and this is reflected in higher biomass of F. serratus ranged seasonally from 4.3 kg to 15 kg m-2 in the center of its extensive distribution. Biomass was also recorded monthly, when the plants were present, for Blidingia spp., Enteromorpha spp., Ulva lactuca, Fucus spiralis, F. vesiculosus, Porphyra linearis, P. umbilicalis, Chondrus crispus, Corallina officinalis, Dumontia incrassata, Petalonia fascia, P. zosterifolia and Scytosiphon lomentaria. New generations of several species which reappeared after a destructive winter storm showed a higher protein content than in the previous year. The winter and early spring flora of Helgoland shows several resemblances in species composition to the summer flora of Scandinavia.

  5. Molecular identification of green algae from the rafts based infrastructure of Porphyra yezoensis.

    PubMed

    Shen, Qi; Li, Hongye; Li, Yan; Wang, Zongling; Liu, Jiesheng; Yang, Weidong

    2012-10-01

    To provide more information on the origin of the Ulva prolifera bloom in Qingdao sea area in China from 2007 to 2011, the diversity of green algae growing on the rafts of Porphyra yezoensis on the coast in Jiangsu Province was investigated based on ITS, rbcL and 5S sequences. Eighty-four of green algal samples from various sites and cruises in 2010 and 2011 were collected. According to ITS and rbcL sequences, samples from the rafts of P. yezoensis fell into four clades: Ulva linza-procera-prolifera (LPP) complex, Ulva flexuosa, Blidingia sp. and Urospora spp. However, based on the 5S rDNA, a more resolved DNA marker, only one of the 84 samples belonged to U. prolifera. Combined with the previous reports, it is likely that U. prolifera bloom in Qingdao sea area might consist of more than one origin, and Porphyra cultivation rafts might be one of the causes.

  6. Effects of temperature on the germination of green algae micro-propagules in coastal waters of the Subei Shoal, China

    NASA Astrophysics Data System (ADS)

    Song, Wei; Peng, Keqin; Xiao, Jie; Li, Yan; Wang, Zongling; Liu, Xiangqing; Fu, Mingzhu; Fan, Shiliang; Zhu, Mingyuan; Li, Ruixiang

    2015-09-01

    Since 2007, large-scale green tides that primarily consisted of Ulva prolifera have consecutively invaded the coast of Qingdao (36°06'N, 120°25'E, PR China) in summer. The germination of green algae micro-propagules in the Subei Shoal played a significant role in the formation of these green tides. The change in sea temperature might be the key factor that affects the germination of the micro-propagules because the other environmental factors varied only slightly according to previous studies. This study was designed to investigate the effects of temperature on the germination of micro-propagules via laboratory experiments. The results showed the following: (1) five types of green algae micro-propagules, including U. prolifera, U. linza, U. compressa, Ulva sp. (Clade 6) and Blidingia sp., were detected in the seawater samples collected from the Subei Shoal; (2) at 5 °C, germinated micro-propagules were not detected in any of the samples; at 10 °C, the micro-propagules began to germinate, and the germination quantity markedly changed between 10 °C and 30 °C; (3) the germination numbers of U. prolifera, U. linza, Ulva sp. (Clade 6) and Blidingia sp. were maximized at 15 °C, 10 °C, 25 °C and 20 °C, respectively. This study indicated that the sea temperature played a significant role in the germination of green algae micro-propagules in water and could partly explain the community succession phenomenon of the attached green algae in the Subei Shoal.

  7. The distribution of Elongation Factor-1 Alpha (EF-1alpha), Elongation Factor-Like (EFL), and a non-canonical genetic code in the ulvophyceae: discrete genetic characters support a consistent phylogenetic framework.

    PubMed

    Gile, Gillian H; Novis, Philip M; Cragg, David S; Zuccarello, Giuseppe C; Keeling, Patrick J

    2009-01-01

    The systematics of the green algal class Ulvophyceae have been difficult to resolve with ultrastructural and molecular phylogenetic analyses. Therefore, we investigated relationships among ulvophycean orders by determining the distribution of two discrete genetic characters previously identified only in the order Dasycladales. First, Acetabularia acetabulum uses the core translation GTPase Elongation Factor 1alpha (EF-1alpha) while most Chlorophyta instead possess the related GTPase Elongation Factor-Like (EFL). Second, the nuclear genomes of dasycladaleans A. acetabulum and Batophora oerstedii use a rare non-canonical genetic code in which the canonical termination codons TAA and TAG instead encode glutamine. Representatives of Ulvales and Ulotrichales were found to encode EFL, while Caulerpales, Dasycladales, Siphonocladales, and Ignatius tetrasporus were found to encode EF-1alpha, in congruence with the two major lineages previously proposed for the Ulvophyceae. The EF-1alpha of I. tetrasporus supports its relationship with Caulerpales/Dasycladales/Siphonocladales, in agreement with ultrastructural evidence, but contrary to certain small subunit rRNA analyses that place it with Ulvales/Ulotrichales. The same non-canonical genetic code previously described in A. acetabulum was observed in EF-1alpha sequences from Parvocaulis pusillus (Dasycladales), Chaetomorpha coliformis, and Cladophora cf. crinalis (Siphonocladales), whereas Caulerpales use the universal code. This supports a sister relationship between Siphonocladales and Dasycladales and further refines our understanding of ulvophycean phylogeny.

  8. A close-up view on ITS2 evolution and speciation - a case study in the Ulvophyceae (Chlorophyta, Viridiplantae)

    PubMed Central

    2011-01-01

    Background The second Internal Transcriber Spacer (ITS2) is a fast evolving part of the nuclear-encoded rRNA operon located between the 5.8S and 28S rRNA genes. Based on crossing experiments it has been proposed that even a single Compensatory Base Change (CBC) in helices 2 and 3 of the ITS2 indicates sexual incompatibility and thus separates biological species. Taxa without any CBC in these ITS2 regions were designated as a 'CBC clade'. However, in depth comparative analyses of ITS2 secondary structures, ITS2 phylogeny, the origin of CBCs, and their relationship to biological species have rarely been performed. To gain 'close-up' insights into ITS2 evolution, (1) 86 sequences of ITS2 including secondary structures have been investigated in the green algal order Ulvales (Chlorophyta, Viridiplantae), (2) after recording all existing substitutions, CBCs and hemi-CBCs (hCBCs) were mapped upon the ITS2 phylogeny, rather than merely comparing ITS2 characters among pairs of taxa, and (3) the relation between CBCs, hCBCs, CBC clades, and the taxonomic level of organisms was investigated in detail. Results High sequence and length conservation allowed the generation of an ITS2 consensus secondary structure, and introduction of a novel numbering system of ITS2 nucleotides and base pairs. Alignments and analyses were based on this structural information, leading to the following results: (1) in the Ulvales, the presence of a CBC is not linked to any particular taxonomic level, (2) most CBC 'clades' sensu Coleman are paraphyletic, and should rather be termed CBC grades. (3) the phenetic approach of pairwise comparison of sequences can be misleading, and thus, CBCs/hCBCs must be investigated in their evolutionary context, including homoplasy events (4) CBCs and hCBCs in ITS2 helices evolved independently, and we found no evidence for a CBC that originated via a two-fold hCBC substitution. Conclusions Our case study revealed several discrepancies between ITS2 evolution in the

  9. Circadian Rhythms of Chloroplast Orientation and Photosynthetic Capacity in Ulva123

    PubMed Central

    Britz, Steven J.; Briggs, Winslow R.

    1976-01-01

    Ulva lactuca L. var. latissima (L.) Decandolle and var. rigida (C. Agardh) Le Jolis and U. mutabilis Foyn have a circadian rhythm of chloroplast orientation which results in large changes in the light-absorption properties of the thallus. During the day, the chloroplasts cover the outer face of the cells and absorbance is high. At night, the chloroplasts are along the side walls and absorbance is low. Enteromorpha linza (L.) J. Agardh, E. intestinalis (L.) Link, E. sp., and Monostroma grevillei (Thuret) Wittrock, members of the Ulvales, were not observed to have this rhythmic movement. Chloroplasts, when in the face position, could not be induced to move to the sides by high intensity light up to 80,000 lux. Unrelated to chloroplast position per se and light-absorption efficiency, there is a rhythm of photosynthetic capacity which peaks just before midday and which continues in constant darkness. Images PMID:16659613

  10. Expression of genes involved in redox homeostasis and antioxidant defense in a marine macroalga Ulva fasciata by excess copper.

    PubMed

    Wu, Tsung-Meng; Hsu, Yuan-Ting; Sung, Ming-Shiuan; Hsu, Yi-Ting; Lee, Tse-Min

    2009-10-04

    The expression of genes involved in the control of redox homeostasis and antioxidant defense was studied in macroalga Ulva fasciata Delile in response to 5 and 50 microM CuSO(4). Redox-related genes, methionine sulfoxide reductase A (UfMsrA), thioredoxin (UfTrx), cyclophilin (UfCyp), and ferritin (UfFer) that were up-regulated by excess Cu [Wu, T.M., Lee, T.M., 2008. Regulation of activity and gene expression of antioxidant enzymes in Ulva fasciata Delile (Ulvales, Chlorophyta) in response to excess copper. Phycologia 47, 346-360] were cloned and their expression was compared to superoxide dismutase (UfMnsod and UfFesod), ascorbate peroxidase (UfApx), glutathione reductase (UfGr), and catalase (UfCat). Transcripts of UfMsrA, UfCyp, and UfFer were increased by excess Cu with a peak at 3h and that of UfTrx increased after 6-9h, but not affected by 4-day exposure to excess Cu, except an increase in UfMsrA transcript. Transcripts of UfMnsod, UfFesod, UfApx, UfGr and UfCat can be increased by 4-day exposure to Cu excess [Wu, T.M., Lee, T.M., 2008. Regulation of activity and gene expression of antioxidant enzymes in Ulva fasciata Delile (Ulvales, Chlorophyta) in response to excess copper. Phycologia 47, 346-360] but not by short-term excess Cu treatment, except UfGr whose transcript increased after 3h. Reactive oxygen species involved in up-regulation of antioxidant defense enzymes genes. These results suggest that the expression of genes of antioxidant defense enzymes and UfMsrA are associated with long-term adaptation of U. fasciata to Cu excess and transcription of redox-related genes and UfGr is up-regulated for short-term acclimation.

  11. Kepler-Daten von BR Cyg

    NASA Astrophysics Data System (ADS)

    Pagel, Lienhard

    2015-01-01

    In the Kepler field is the eclipsing binary BR Cyg. He is a BAV program star. In the KIC (Kepler Input Catalogue) he is associated with the identifier kplr009899416 [1]. There have been determined 1084 minima and as many secondary minima. Acknowledgement: This paper makes use of data from the Kepler exoplanetarchive.

  12. New Family of Ulvan Lyases Identified in Three Isolates from the Alteromonadales Order*

    PubMed Central

    Kopel, Moran; Helbert, William; Belnik, Yana; Buravenkov, Vitaliy; Herman, Asael; Banin, Ehud

    2016-01-01

    Ulvan is the main polysaccharide component of the Ulvales (green seaweed) cell wall. It is composed of disaccharide building blocks comprising 3-sulfated rhamnose linked to d-glucuronic acid (GlcUA), l-iduronic acid (IdoUA), or d-xylose (Xyl). The degradation of ulvan requires ulvan lyase, which catalyzes the endolytic cleavage of the glycoside bond between 3-sulfated rhamnose and uronic acid according to a β-elimination mechanism. The first characterized ulvan lyase was identified in Nonlabens ulvanivorans, an ulvanolytic bacterial isolate. In the current study, we have identified and biochemically characterized novel ulvan lyases from three Alteromonadales isolated bacteria. Two homologous ulvan lyases (long and short) were found in each of the bacterial genomes. The protein sequences have no homology to the previously reported ulvan lyases and therefore are the first representatives of a new family of polysaccharide lyases. The enzymes were heterologously expressed in Escherichia coli to determine their mode of action. The heterologous expressed enzymes were secreted into the milieu subsequent to their signal sequence cleavage. An endolytic mode of action was observed and studied using gel permeation chromatography and 1H NMR. In contrast to N. ulvanivorans ulvan lyase, cleavage occurred specifically at the GlcUA residues. In light of the genomic context and modular structure of the ulvan lyase families identified to date, we propose that two ulvan degradation pathways evolved independently. PMID:26763234

  13. Sequences and phylogeny analysis of rbcL gene in marine chlorophyta

    NASA Astrophysics Data System (ADS)

    Shen, Songdong; Li, Yanyan; Wu, Xunjian; Ding, Lanping

    2010-06-01

    The rbcL gene of Ulva pertusa, Enteromorpha prolifera and Monostroma grevillei was amplified, sequenced and analyzed. By comparing the rbcL sequences with seven other Ulvales species retrieved from GenBank, the sequence divergences and the phyletic evolution were analyzed and the phylogenetic tree was constructed. From the phylogenetic tree, it can be found that U. pertusa, E. prolifera and U. californica group in one branch, while E. compressa, U. rigida and U. fenestrata cluster in another clade. Obviously, unlike the Enteomorpha species, the Ulva species do not gather in one branch. Therefore Ulva and Enteomorpha might be affiliates of one genus. E. compressa and E. intestinalis gathered together, which coincided with the morphological characters. However, the thallus of U. pertusa is thick and with many holes, which is different from E. prolifera in morphology. They cluster together in the phylogenetic tree with a genetic distance of 0.005. The results indicate that Ulva and Enteromorpha are not distinguished strictly.

  14. Reconstructing the Phylogeny of Capsosiphon fulvescens (Ulotrichales, Chlorophyta) from Korea Based on rbcL and 18S rDNA Sequences.

    PubMed

    Sun, Sang-Mi; Yang, Seung Hwan; Golokhvast, Kirill S; Le, Bao; Chung, Gyuhwa

    2016-01-01

    Capsosiphon fulvescens is a filamentous green algae in the class Ulvophyceae. It has been consumed as food with unique flavor and soft texture to treat stomach disorders and hangovers, and its economic value justifies studying its nutritional and potential therapeutic effects. In contrast to these applications, only a few taxonomic studies have been conducted on C. fulvescens. In particular, classification and phylogenetic relationships of the C. fulvescens below the order level are controversial. To determine its phylogenetic position in the class, we used rbcL and 18S rDNA sequences as molecular markers to construct phylogenetic trees. The amplified rbcL and 18S rDNA sequences from 4 C. fulvescens isolates (Jindo, Jangheung, Wando, and Koheung, Korea) were used for phylogenetic analysis by employing three different phylogenetic methods: neighbor joining (NJ), maximum parsimony (MP), and maximum likelihood (ML). The rbcL phylogenetic tree showed that all taxa in the order Ulvales were clustered as a monophyletic group and resolved the phylogenetic position of C. fulvescens in the order Ulotrichales. The significance of our study is that the 18S rDNA phylogenetic tree shows the detailed taxonomic position of C. fulvescens. In our result, C. fulvescens is inferred as a member of Ulotrichaceae, along with Urospora and Acrosiphonia.

  15. Structural evolution of nucleobase clusters using force field models and density functional theory

    NASA Astrophysics Data System (ADS)

    Chiriki, Siva; Dagar, Anuradha; Bulusu, Satya S.

    2015-08-01

    We report global minima for all nucleobase clusters (nucleobase)n, with 2 ≤ n ≤ 4. The global minima are predicted using force field based global optimization methods followed by local optimizations using the dispersion corrected DFT method. In this study, we use both non-polarizable (OPLS-AA) and polarizable (AMOEBA) force fields for global optimization. Here we emphasize on the reliability of AMOEBA force field used for predicting accurate global minima of nucleobase clusters. The average deviation in binding energies using AMOEBA is 3 kcal/mol from the DFT while the average deviation using OPLS-AA is 8 kcal/mol from DFT.

  16. Molecular above-threshold ionization spectra as an evidence of the three-point interference of electron wave packets

    NASA Astrophysics Data System (ADS)

    Hasović, Elvedin; Milošević, Dejan B.; Gazibegović-Busuladžić, Azra; Čerkić, Aner; Busuladžić, Mustafa

    2015-03-01

    We consider high-order above-threshold ionization (HATI) of polyatomic molecules ionized by a strong linearly polarized laser field. Improved molecular strong-field approximation by which the HATI process on polyatomic molecular species can be described is developed. Using this theory we calculate photoelectron angular-energy spectra for different triatomic molecules. Special attention is devoted to the minima that are observed in the calculated high-energy electron spectra of the ozone and carbon dioxide molecules. A key difference between these minima and minima that are observed in the corresponding spectra of diatomic molecules are presented.

  17. Ubiquitous mechanisms of energy dissipation in noncontact atomic force microscopy.

    PubMed

    Ghasemi, S Alireza; Goedecker, Stefan; Baratoff, Alexis; Lenosky, Thomas; Meyer, Ernst; Hug, Hans J

    2008-06-13

    Atomistic simulations considering larger tip structures than hitherto assumed reveal novel dissipation mechanisms in noncontact atomic force microscopy. The potential energy surfaces of realistic silicon tips exhibit many energetically close local minima that correspond to different structures. Most of them easily deform, thus causing dissipation arising from hysteresis in force versus distance characteristics. Furthermore, saddle points which connect local minima can suddenly switch to connect different minima. Configurations driven into metastability by the tip motion can thus suddenly access lower energy structures when thermal activation becomes allowed within the time required to detect the resulting average dissipation.

  18. A simple empirical stream flow prediction model for ungauged watersheds

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Knowledge of streamflow is important for estimating groundwater recharge rates, forecasting floods, and designing hydropower structures and irrigation systems. However, many watersheds throughout the developing world remain ungauged. This fact demands a simple hydrological model that requires minima...

  19. A multidimensional generalization of Heilbronn's theorem on the average length of a finite continued fraction

    SciTech Connect

    Illarionov, A A

    2014-03-31

    Heilbronn's theorem on the average length of a finite continued fraction is generalized to the multidimensional case in terms of relative minima of the lattices which were introduced by Voronoy and Minkowski. Bibliography: 21 titles.

  20. Features of the concentration dependences of the surface tension of water suspensions of bentonites

    NASA Astrophysics Data System (ADS)

    Dadashev, R. Kh.; Dzhambulatov, R. S.; Elimkhanov, D. Z.

    2015-08-01

    The concentration dependence of the surface tension of water suspensions of bentonites is studied experimentally. Possible reasons for the emergence of the minima on isotherms of the surface tensions of dispersed systems are analyzed.

  1. Apparatus for separating particles utilizing engineered acoustic contrast capture particles

    DOEpatents

    Kaduchak, Gregory; Ward, Michael D

    2016-05-17

    An apparatus for separating particles from a medium includes a capillary defining a flow path therein that is in fluid communication with a medium source. The medium source includes engineered acoustic contrast capture particle having a predetermined acoustic contrast. The apparatus includes a vibration generator that is operable to produce at least one acoustic field within the flow path. The acoustic field produces a force potential minima for positive acoustic contrast particles and a force potential minima for negative acoustic contrast particles in the flow path and drives the engineered acoustic contrast capture particles to either the force potential minima for positive acoustic contrast particles or the force potential minima for negative acoustic contrast particles.

  2. Apparatus for separating particles utilizing engineered acoustic contrast capture particles

    DOEpatents

    Kaduchak, Gregory; Ward, Michael D.

    2011-12-27

    An apparatus for separating particles from a medium includes a capillary defining a flow path therein that is in fluid communication with a medium source. The medium source includes engineered acoustic contrast capture particle having a predetermined acoustic contrast. The apparatus includes a vibration generator that is operable to produce at least one acoustic field within the flow path. The acoustic field produces a force potential minima for positive acoustic contrast particles and a force potential minima for negative acoustic contrast particles in the flow path and drives the engineered acoustic contrast capture particles to either the force potential minima for positive acoustic contrast particles or the force potential minima for negative acoustic contrast particles.

  3. Jan Hudde and the Quotient Rule before Newton and Leibniz

    ERIC Educational Resources Information Center

    Curtin, Daniel J.

    2005-01-01

    This article describes some of the work of Jan Hudde who anticipated some results of calculus. Prior to a career as a Burgomaster of Amsterdam, Hudde engaged in mathematics. His method of finding maxima and minima is especially interesting.

  4. Apparatus for separating particles utilizing engineered acoustic contrast capture particles

    SciTech Connect

    Kaduchak, Gregory; Ward, Michael D

    2014-10-21

    An apparatus for separating particles from a medium includes a capillary defining a flow path therein that is in fluid communication with a medium source. The medium source includes engineered acoustic contrast capture particle having a predetermined acoustic contrast. The apparatus includes a vibration generator that is operable to produce at least one acoustic field within the flow path. The acoustic field produces a force potential minima for positive acoustic contrast particles and a force potential minima for negative acoustic contrast particles in the flow path and drives the engineered acoustic contrast capture particles to either the force potential minima for positive acoustic contrast particles or the force potential minima for negative acoustic contrast particles.

  5. Screw dislocation-induced growth spirals as emissive exciton localization centers in Al-rich AlGaN/AlN quantum wells

    SciTech Connect

    Funato, Mitsuru Banal, Ryan G.; Kawakami, Yoichi

    2015-11-15

    Screw dislocations in Al-rich AlGaN/AlN quantum wells cause growth spirals with an enhanced Ga incorporation, which create potential minima. Although screw dislocations and their surrounding potential minima suggest non-radiative recombination processes within growth spirals, in reality, screw dislocations are not major non-radiative sinks for carriers. Consequently, carriers localized within growth spirals recombine radiatively without being captured by non-radiative recombination centers, resulting in intense emissions from growth spirals.

  6. Predictions of Crystal Structures from First Principles

    DTIC Science & Technology

    2007-06-01

    coefficients 2. Computational Details modeling the long-range dispersion and induction interactions were obtained from separate fits of these...Potential Energy Surface induction energy components are much less important, in particular for the second lowest minimum. Moreover, a large part of the...minima on the PES. from second -order Moller-Plesset (MP2) level The energies of the minima range between -12.5 and calculations used in the SRT

  7. The complex lightcurve of 1992 NA

    NASA Technical Reports Server (NTRS)

    Wisniewski, Wieslaw Z.; Harris, A. W.

    1994-01-01

    Amor asteroid 1992 NA was monitored during three nights at a large phase angle of -65 deg. The lightcurves obtained did not reveal a repeatable curve with two maxima and two minima. However, some features suggested a periodicity with three maxima and three minima. A satisfactory composite lightcurve of this form was obtained by means of an 'eyeball' fit and by Fourier analysis. Individual and composite lightcurves are presented. The observed colors are consistent with the C class.

  8. Differential evolution algorithm for global optimizations in nuclear physics

    NASA Astrophysics Data System (ADS)

    Qi, Chong

    2017-04-01

    We explore the applicability of the differential evolution algorithm in finding the global minima of three typical nuclear structure physics problems: the global deformation minimum in the nuclear potential energy surface, the optimization of mass model parameters and the lowest eigenvalue of a nuclear Hamiltonian. The algorithm works very effectively and efficiently in identifying the minima in all problems we have tested. We also show that the algorithm can be parallelized in a straightforward way.

  9. On Solar Cycle Predictions and Reconstructions

    DTIC Science & Technology

    2008-12-01

    for grand solar minima and to reconstruct the relative sunspol number in the Maunder minimum . Methods. We calculate the asymmetry of the ascending...was identified in the asymmetry data. The maximal smoothed monthly sunspot number during the Maunder minimum was reconstructed and found to be in the...cycle, to investigate proxies for grand solar minima and to reconstruct the relative sunspot number in the Maunder minimum . Methods. We calculate the

  10. Two-Color V and R CCD Photometry of the SW Sex-Type Eclipsing Cataclysmic Variable V1315 Aql

    NASA Astrophysics Data System (ADS)

    Andronov, I. L.; Baklanov, A. V.; Burwitz, V.

    2005-08-01

    The V-R color index shows a complicated behaviour during the eclipse, being largest at the brightness minimum, but showing asymmetric minima at phases -0.07 and +0.13. The hump at the light curve occurs after the eclipse, contrary to systems with the "hot spot". The phases of minima in V and R are 0.0092(17) and 0.0062(17), respectively, for the mean date JD=2453202.

  11. Vacuum selection on axionic landscapes

    SciTech Connect

    Wang, Gaoyuan; Battefeld, Thorsten E-mail: tbattefe@astro.physik.uni-goettingen.de

    2016-04-01

    We compute the distribution of minima that are reached dynamically on multi-field axionic landscapes, both numerically and analytically. Such landscapes are well suited for inflationary model building due to the presence of shift symmetries and possible alignment effects (the KNP mechanism). The resulting distribution of dynamically reached minima differs considerably from the naive expectation based on counting all vacua. These differences are more pronounced in the presence of many fields due to dynamical selection effects: while low lying minima are preferred as fields roll down the potential, trajectories are also more likely to get trapped by one of the many nearby minima. We show that common analytic arguments based on random matrix theory in the large D-limit to estimate the distribution of minima are insufficient for quantitative arguments pertaining to the dynamically reached ones. This discrepancy is not restricted to axionic potentials. We provide an empirical expression for the expectation value of such dynamically reached minimas' height and argue that the cosmological constant problem is not alleviated in the absence of anthropic arguments. We further comment on the likelihood of inflation on axionic landscapes in the large D-limit.

  12. Photophysical deactivation pathways in adenine oligonucleotides.

    PubMed

    Spata, Vincent A; Matsika, Spiridoula

    2015-12-14

    In this work we study deactivation processes in adenine oligomers after absorption of UV radiation using Quantum Mechanics combined with Molecular Mechanics (QM/MM). Correlated electronic structure methods appropriate for describing the excited states are used to describe a π-stacked dimer of adenine bases incorporated into (dA)20(dT)20. The results of these calculations reveal three different types of excited state minima which play a role in deactivation processes. Within this set of minima there are minima where the excited state is localized on one adenine (monomer-like) as well as minima where the excited state is delocalized on two adenines, forming different types of excimers and bonded excimers of varying but inter-related character. The proximity of their energies reveals that the minima can decay into one another along a flat potential energy surface dependent on the interbase separation. Additionally, analysis of the emissive energies and other physical properties, including theoretical anisotropy calculations, and comparison with fluorescence experiments, provides evidence that excimers play an important role in long-lived signals in adenine oligonucleotides while the subpicosecond decay is attributed to monomer-like minima. The necessity for a close approach of the nucleobases reveals that the deactivation mechanism is tied to macro-molecular motion.

  13. Looking for order in the optical design landscape

    NASA Astrophysics Data System (ADS)

    Bociort, Florian; van Turnhout, Maarten

    2006-08-01

    In present-day optical system design, it is tacitly assumed that local minima are points in the merit function landscape without relationships between them. We will show however that there is a certain degree of order in the design landscape and that this order is best observed when we change the dimensionality of the optimization problem and when we consider not only local minima, but saddle points as well. We have developed earlier a computational method for detecting saddle points numerically, and a method, then applicable only in a special case, for constructing saddle points by adding lenses to systems that are local minima. The saddle point construction method will be generalized here and we will show how, by performing a succession of one-dimensional calculations, many local minima of a given global search can be systematically obtained from the set of local minima corresponding to systems with fewer lenses. As a simple example, the results of the Cooke triplet global search will be analyzed. In this case, the vast majority of the saddle points found by our saddle point detection software can in fact be obtained in a much simpler way by saddle point construction, starting from doublet local minima.

  14. The Complete Chloroplast and Mitochondrial Genomes of the Green Macroalga Ulva sp. UNA00071828 (Ulvophyceae, Chlorophyta)

    PubMed Central

    Melton, James T.; Leliaert, Frederik; Tronholm, Ana; Lopez-Bautista, Juan M.

    2015-01-01

    Sequencing mitochondrial and chloroplast genomes has become an integral part in understanding the genomic machinery and the phylogenetic histories of green algae. Previously, only three chloroplast genomes (Oltmannsiellopsis viridis, Pseudendoclonium akinetum, and Bryopsis hypnoides) and two mitochondrial genomes (O. viridis and P. akinetum) from the class Ulvophyceae have been published. Here, we present the first chloroplast and mitochondrial genomes from the ecologically and economically important marine, green algal genus Ulva. The chloroplast genome of Ulva sp. was 99,983 bp in a circular-mapping molecule that lacked inverted repeats, and thus far, was the smallest ulvophycean plastid genome. This cpDNA was a highly compact, AT-rich genome that contained a total of 102 identified genes (71 protein-coding genes, 28 tRNA genes, and three ribosomal RNA genes). Additionally, five introns were annotated in four genes: atpA (1), petB (1), psbB (2), and rrl (1). The circular-mapping mitochondrial genome of Ulva sp. was 73,493 bp and follows the expanded pattern also seen in other ulvophyceans and trebouxiophyceans. The Ulva sp. mtDNA contained 29 protein-coding genes, 25 tRNA genes, and two rRNA genes for a total of 56 identifiable genes. Ten introns were annotated in this mtDNA: cox1 (4), atp1 (1), nad3 (1), nad5 (1), and rrs (3). Double-cut-and-join (DCJ) values showed that organellar genomes across Chlorophyta are highly rearranged, in contrast to the highly conserved organellar genomes of the red algae (Rhodophyta). A phylogenomic investigation of 51 plastid protein-coding genes showed that Ulvophyceae is not monophyletic, and also placed Oltmannsiellopsis (Oltmannsiellopsidales) and Tetraselmis (Chlorodendrophyceae) closely to Ulva (Ulvales) and Pseudendoclonium (Ulothrichales). PMID:25849557

  15. The complete chloroplast and mitochondrial genomes of the green macroalga Ulva sp. UNA00071828 (Ulvophyceae, Chlorophyta).

    PubMed

    Melton, James T; Leliaert, Frederik; Tronholm, Ana; Lopez-Bautista, Juan M

    2015-01-01

    Sequencing mitochondrial and chloroplast genomes has become an integral part in understanding the genomic machinery and the phylogenetic histories of green algae. Previously, only three chloroplast genomes (Oltmannsiellopsis viridis, Pseudendoclonium akinetum, and Bryopsis hypnoides) and two mitochondrial genomes (O. viridis and P. akinetum) from the class Ulvophyceae have been published. Here, we present the first chloroplast and mitochondrial genomes from the ecologically and economically important marine, green algal genus Ulva. The chloroplast genome of Ulva sp. was 99,983 bp in a circular-mapping molecule that lacked inverted repeats, and thus far, was the smallest ulvophycean plastid genome. This cpDNA was a highly compact, AT-rich genome that contained a total of 102 identified genes (71 protein-coding genes, 28 tRNA genes, and three ribosomal RNA genes). Additionally, five introns were annotated in four genes: atpA (1), petB (1), psbB (2), and rrl (1). The circular-mapping mitochondrial genome of Ulva sp. was 73,493 bp and follows the expanded pattern also seen in other ulvophyceans and trebouxiophyceans. The Ulva sp. mtDNA contained 29 protein-coding genes, 25 tRNA genes, and two rRNA genes for a total of 56 identifiable genes. Ten introns were annotated in this mtDNA: cox1 (4), atp1 (1), nad3 (1), nad5 (1), and rrs (3). Double-cut-and-join (DCJ) values showed that organellar genomes across Chlorophyta are highly rearranged, in contrast to the highly conserved organellar genomes of the red algae (Rhodophyta). A phylogenomic investigation of 51 plastid protein-coding genes showed that Ulvophyceae is not monophyletic, and also placed Oltmannsiellopsis (Oltmannsiellopsidales) and Tetraselmis (Chlorodendrophyceae) closely to Ulva (Ulvales) and Pseudendoclonium (Ulothrichales).

  16. Mudflat surface morphology as a structuring agent of algae and associated macroepifauna communities: A case study in the Ria Formosa

    NASA Astrophysics Data System (ADS)

    Aníbal, J.; Rocha, C.; Sprung, M.

    2007-01-01

    Although mudflats seem relatively planar, closer inspection reveals a succession of meso-topographical features, including consecutive convex and concave meso- and micro-topographical features. The objective of this study was to determine the influence of meso-scale surface sediment morphology on the dynamics of the macroalgae Ulvales (Chlorophyta) and associated macroepifauna in the Ria Formosa tidal lagoon (southern coast of Portugal). Four sites in the Ria Formosa were sampled monthly. Two were located on convex sections (mounds) of the mudflat and the other two on concave sections (depressions). Macroalgae and related macroepifauna were sampled at each station. Biomass was quantified by determination of the ash-free dry weight (AFDW). Data were analysed using the software package 'PRIMER' (Plymouth Routines In Multivariate Ecological Research). Results show a clear distinction between convex and concave areas. In convex sections, Enteromorpha dominated, to the point of being the only algal species present during part of the year. Conversely, biomass and dynamics of Enteromorpha and Ulva were almost the same in concave sections. The associated macroepifauna was also different in protruding or depressed sections of the mudflat. In the convex areas, the macroepifauna population showed less diversity and was dominated by the snail Hydrobia ulvae. In concave areas, the species diversity was larger, but dominated in terms of biomass by the amphipod Melita palmata and the gastropod Nassarius pfeifferi. Results of the study indicate that the benthic communities associated with concave or convex features were different. No relevant differences in texture and sediment physico-chemical characteristics were found between convex and concave sections. The inference is that the morphological nature of the bottom in tidal mudflats can act as a structuring agent of benthic communities.

  17. When Gravity Fails: Local Search Topology

    NASA Technical Reports Server (NTRS)

    Frank, Jeremy; Cheeseman, Peter; Stutz, John; Lau, Sonie (Technical Monitor)

    1997-01-01

    Local search algorithms for combinatorial search problems frequently encounter a sequence of states in which it is impossible to improve the value of the objective function; moves through these regions, called {\\em plateau moves), dominate the time spent in local search. We analyze and characterize {\\em plateaus) for three different classes of randomly generated Boolean Satisfiability problems. We identify several interesting features of plateaus that impact the performance of local search algorithms. We show that local minima tend to be small but occasionally may be very large. We also show that local minima can be escaped without unsatisfying a large number of clauses, but that systematically searching for an escape route may be computationally expensive if the local minimum is large. We show that plateaus with exits, called benches, tend to be much larger than minima, and that some benches have very few exit states which local search can use to escape. We show that the solutions (i.e. global minima) of randomly generated problem instances form clusters, which behave similarly to local minima. We revisit several enhancements of local search algorithms and explain their performance in light of our results. Finally we discuss strategies for creating the next generation of local search algorithms.

  18. Molecular phylogeny of the forensically important genus Cochliomyia (Diptera: Calliphoridae)

    PubMed Central

    Yusseff-Vanegas, Sohath; Agnarsson, Ingi

    2016-01-01

    Abstract Cochliomyia Townsend includes several abundant and one of the most broadly distributed, blow flies in the Americas, and is of significant economic and forensic importance. For decades, Cochliomyia hominivorax (Coquerel) and Cochliomyia macellaria (Fabricius) have received attention as livestock parasites and primary indicator species in forensic entomology. However, Cochliomyia minima Shannon and Cochliomyia aldrichi Del Ponte have only been subject to basic taxonomy and faunistic studies. Here we present the first complete phylogeny of Cochliomyia including numerous specimens per species, collected from 13 localities in the Caribbean. Four genes, the mitochondrial COI and the nuclear EF-1α, 28S rRNA, and ITS2, were analyzed. While we found some differences among gene trees, a concatenated gene matrix recovered a robustly supported monophyletic Cochliomyia with Compsomyiops Townsend as its sister group and recovered the monophyly of Cochliomyia hominivorax, Cochliomyia macellaria and Cochliomyia minima. Our results support a close relationship between Cochliomyia minima and Cochliomyia aldrichi. However, we found Cochliomyia aldrichi containing Cochliomyia minima, indicating recent speciation, or issues with the taxonomy of the group. We provide basic information on habitat preference, distribution and feeding habits of Cochliomyia minima and Cochliomyia aldrichi that will be useful for future forensic studies in the Caribbean. PMID:27563274

  19. [Interactions of DNA bases with individual water molecules. Molecular mechanics and quantum mechanics computation results vs. experimental data].

    PubMed

    Gonzalez, E; Lino, J; Deriabina, A; Herrera, J N F; Poltev, V I

    2013-01-01

    To elucidate details of the DNA-water interactions we performed the calculations and systemaitic search for minima of interaction energy of the systems consisting of one of DNA bases and one or two water molecules. The results of calculations using two force fields of molecular mechanics (MM) and correlated ab initio method MP2/6-31G(d, p) of quantum mechanics (QM) have been compared with one another and with experimental data. The calculations demonstrated a qualitative agreement between geometry characteristics of the most of local energy minima obtained via different methods. The deepest minima revealed by MM and QM methods correspond to water molecule position between two neighbor hydrophilic centers of the base and to the formation by water molecule of hydrogen bonds with them. Nevertheless, the relative depth of some minima and peculiarities of mutual water-base positions in' these minima depend on the method used. The analysis revealed insignificance of some differences in the results of calculations performed via different methods and the importance of other ones for the description of DNA hydration. The calculations via MM methods enable us to reproduce quantitatively all the experimental data on the enthalpies of complex formation of single water molecule with the set of mono-, di-, and trimethylated bases, as well as on water molecule locations near base hydrophilic atoms in the crystals of DNA duplex fragments, while some of these data cannot be rationalized by QM calculations.

  20. Hydrocarbon adsorption in an aqueous environment: A computational study of alkyls on Cu(111)

    NASA Astrophysics Data System (ADS)

    Montemore, Matthew M.; Andreussi, Oliviero; Medlin, J. Will

    2016-08-01

    Hydrocarbon chains are important intermediates in various aqueous-phase surface processes, such as CO2 electroreduction, aqueous Fischer-Tropsch synthesis, and aqueous phase reforming of biomass-derived molecules. Further, the interaction between water and adsorbed hydrocarbons represents a difficult case for modern computational methods. Here, we explore various methods for calculating the energetics of this interaction within the framework of density functional theory and explore trade-offs between the use of low water coverages, molecular dynamics approaches, and minima hopping for identification of low energy structures. An effective methodology for simulating low temperature processes is provided by using a unit cell in which the vacuum space is filled with water, employing the minima hopping algorithm to search for low-lying minima, and including dispersion (van der Waals) interactions. Using this methodology, we show that a high coverage of adsorbed alkyls is destabilized by the presence of water, while a low coverage of alkyls is stabilized. Solvation has a small effect on the energetics of hydrocarbon chain growth, generally decreasing its favorability at low temperatures. We studied higher temperatures by running molecular dynamics simulations starting at the minima found by the minima hopping algorithm and found that increased temperatures facilitate chain growth. The self-consistent continuum solvation method effectively describes the alkyl-water interaction and is in general agreement with the explicit solvation results in most cases, but care should be taken at high alkyl coverage.

  1. An Atlas of O-C Diagrams of Eclipsing Binary Stars

    NASA Astrophysics Data System (ADS)

    Kreiner, Jerzy M.; Kim, Chun-Hwey; Nha, Il-Seong

    The Atlas contains data for 1,138 eclipsing binaries represented by 91,798 minima timings, collected from the usual international and local journals, observatory publications and unpublished minima. Among this source material there is a considerable representation of amateur astronomers. Some timings were found in the card-index catalogue of the Astronomical Observatory of the Jagiellonian University, Cracow. Stars were included in the Atlas provided that they satisfied 3 criteria: (1) at least 20 minima had been times; (2) these minima spanned at least 2,500 cycles; and (3) the 2,500 cycles represented no fewer than 40 years. Some additional stars not strictly satisfying these criteria were also included if useful information was available. For each star, the Atlas contains the (O-C) diagram calculated by the authors and a table of general information containing: binary characteristics; assorted catalogue numbers; the statistics of the collected minima timings; the light elements (light ephemeris); comments and literature references. All of the data and diagrams in the Atlas are also available in electronic form on the Internet at http://www.as.ap.krakow.pl/o- c".

  2. A strategy to find minimal energy nanocluster structures.

    PubMed

    Rogan, José; Varas, Alejandro; Valdivia, Juan Alejandro; Kiwi, Miguel

    2013-11-05

    An unbiased strategy to search for the global and local minimal energy structures of free standing nanoclusters is presented. Our objectives are twofold: to find a diverse set of low lying local minima, as well as the global minimum. To do so, we use massively the fast inertial relaxation engine algorithm as an efficient local minimizer. This procedure turns out to be quite efficient to reach the global minimum, and also most of the local minima. We test the method with the Lennard-Jones (LJ) potential, for which an abundant literature does exist, and obtain novel results, which include a new local minimum for LJ13 , 10 new local minima for LJ14 , and thousands of new local minima for 15≤N≤65. Insights on how to choose the initial configurations, analyzing the effectiveness of the method in reaching low-energy structures, including the global minimum, are developed as a function of the number of atoms of the cluster. Also, a novel characterization of the potential energy surface, analyzing properties of the local minima basins, is provided. The procedure constitutes a promising tool to generate a diverse set of cluster conformations, both two- and three-dimensional, that can be used as an input for refinement by means of ab initio methods.

  3. Computationally efficient characterization of potential energy surfaces based on fingerprint distances

    NASA Astrophysics Data System (ADS)

    Schaefer, Bastian; Goedecker, Stefan

    2016-07-01

    An analysis of the network defined by the potential energy minima of multi-atomic systems and their connectivity via reaction pathways that go through transition states allows us to understand important characteristics like thermodynamic, dynamic, and structural properties. Unfortunately computing the transition states and reaction pathways in addition to the significant energetically low-lying local minima is a computationally demanding task. We here introduce a computationally efficient method that is based on a combination of the minima hopping global optimization method and the insight that uphill barriers tend to increase with increasing structural distances of the educt and product states. This method allows us to replace the exact connectivity information and transition state energies with alternative and approximate concepts. Without adding any significant additional cost to the minima hopping global optimization approach, this method allows us to generate an approximate network of the minima, their connectivity, and a rough measure for the energy needed for their interconversion. This can be used to obtain a first qualitative idea on important physical and chemical properties by means of a disconnectivity graph analysis. Besides the physical insight obtained by such an analysis, the gained knowledge can be used to make a decision if it is worthwhile or not to invest computational resources for an exact computation of the transition states and the reaction pathways. Furthermore it is demonstrated that the here presented method can be used for finding physically reasonable interconversion pathways that are promising input pathways for methods like transition path sampling or discrete path sampling.

  4. Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7

    PubMed Central

    Kutov, D. C.; Sulimov, V. B.

    2017-01-01

    Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force field with implicit water solvent in the PCM model. Among several hundred thousand local minima, which are found in the docking procedure, about eight thousand lowest energy minima are chosen and then energies of these minima are recalculated with the recent quantum chemical semiempirical PM7 method. This procedure is applied to 16 test complexes with different proteins and ligands. For almost all test complexes such energy recalculation results in the global energy minimum configuration corresponding to the ligand pose near the native ligand position in the crystalized protein-ligand complex. A significant improvement of the ligand positioning accuracy comparing with MMFF94 energy calculations is demonstrated. PMID:28191015

  5. Nonlinear optimization simplified by hypersurface deformation

    SciTech Connect

    Stillinger, F.H.; Weber, T.A.

    1988-09-01

    A general strategy is advanced for simplifying nonlinear optimization problems, the ant-lion method. This approach exploits shape modifications of the cost-function hypersurface which distend basins surrounding low-lying minima (including global minima). By intertwining hypersurface deformations with steepest-descent displacements, the search is concentrated on a small relevant subset of all minima. Specific calculations demonstrating the value of this method are reported for the partitioning of two classes of irregular but nonrandom graphs, the prime-factor graphs and the pi graphs. We also indicate how this approach can be applied to the traveling salesman problem and to design layout optimization, and that it may be useful in combination with simulated annealing strategies.

  6. Tight-binding approach to overdamped Brownian motion on a bichromatic periodic potential

    NASA Astrophysics Data System (ADS)

    Nguyen, P. T. T.; Challis, K. J.; Jack, M. W.

    2016-02-01

    We present a theoretical treatment of overdamped Brownian motion on a time-independent bichromatic periodic potential with spatially fast- and slow-changing components. In our approach, we generalize the Wannier basis commonly used in the analysis of periodic systems to define a basis of S states that are localized at local minima of the potential. We demonstrate that the S states are orthonormal and complete on the length scale of the periodicity of the fast-changing potential, and we use the S-state basis to transform the continuous Smoluchowski equation for the system to a discrete master equation describing hopping between local minima. We identify the parameter regime where the master equation description is valid and show that the interwell hopping rates are well approximated by Kramers' escape rate in the limit of deep potential minima. Finally, we use the master equation to explore the system dynamics and determine the drift and diffusion for the system.

  7. Comparative modelling of chemical ordering in palladium-iridium nanoalloys

    SciTech Connect

    Davis, Jack B. A.; Johnston, Roy L.; Rubinovich, Leonid; Polak, Micha

    2014-12-14

    Chemical ordering in “magic-number” palladium-iridium nanoalloys has been studied by means of density functional theory (DFT) computations, and compared to those obtained by the Free Energy Concentration Expansion Method (FCEM) using derived coordination dependent bond energy variations (CBEV), and by the Birmingham Cluster Genetic Algorithm using the Gupta potential. Several compositions have been studied for 38- and 79-atom particles as well as the site preference for a single Ir dopant atom in the 201-atom truncated octahedron (TO). The 79- and 38-atom nanoalloy homotops predicted for the TO by the FCEM/CBEV are shown to be, respectively, the global minima and competitive low energy minima. Significant reordering of minima predicted by the Gupta potential is seen after reoptimisation at the DFT level.

  8. On the origin of a very close similarity between the spectra of the supernova type 1 in NGC 3198 and the absorption of DQ HeR

    NASA Technical Reports Server (NTRS)

    Mustel, E. R.

    1979-01-01

    The type 1 supernova discovered late in 1966 in NGC 3198 has broad minima in its spectrum break down into a number of significantly narrower absorption bands. The broad minima of tau, sigma and mu, which usually show no details in the spectra of type supernovas, contain a number of narrow absorption bands. The reality of most of these absorption bands is demonstrated by comparison of recordings of spectra of the supernova presented for two moments in time. These minima (particularly of tau and mu,) are a result of blending of several broad absorption bands. The minimum of tau should be a blend of intensive and very broad Fe absorption lines, in which the lower level is metastable. The wavelengths of these line are: 5169, 5198, 5235, 5276, 5317, 5363A.

  9. Vibrational energy levels of CH5+

    NASA Astrophysics Data System (ADS)

    Wang, Xiao-Gang; Carrington, Tucker

    2008-12-01

    We present a parallelized contracted basis-iterative method for calculating numerically exact vibrational energy levels of CH5+ (a 12-dimensional calculation). We use Radau polyspherical coordinates and basis functions that are products of eigenfunctions of bend and stretch Hamiltonians. The bend eigenfunctions are computed in a nondirect product basis with more than 200×106 functions and the stretch functions are computed in a product potential optimized discrete variable basis. The basis functions have amplitude in all of the 120 equivalent minima. Many low-lying levels are well converged. We find that the energy level pattern is determined in part by the curvature and width of the valley connecting the minima and in part by the slope of the walls of this valley but does not depend on the height or shape of the barriers separating the minima.

  10. Application of the ARMA model in distributed fiber vibration sensing system

    NASA Astrophysics Data System (ADS)

    Wu, Hongyan; Xu, Haiyan; Peng, HeKuo

    2015-06-01

    Distributed fiber vibration sensing system is widely used in the field of wide area security, communication cable of long distances and pipeline security. The principle of the system is that for a vibration signal applied at a particular position along the fiber, the response, in the frequency domain, presents a series of periodic maxima and minima (or nulls). These minima depend on the position of the vibration along a fiber. Power spectral estimation method is considered to denoise the power spectrum of the system and determine these minima precisely in the paper. The parametric modelling methods such as autoregressive-moving average (ARMA) model is used to improve the positional accuracy of the system. The experimental results show the high accuracy of the position using ARMA model.

  11. Discriminating Between qm and SED with Spin

    NASA Astrophysics Data System (ADS)

    Cavalleri, G.; Tonni, E.

    The complete prediction of diffraction for electrons passing through two slits is obtained by stochastic electrodynamics (SED) implemented by spin. The positions of the maxima and minima of the diffraction pattern turn out to be equal to those given by quantum mechanics (QM). However, when the transversal width Δy of the electron beam is much smaller than the size b of a slit, no diffraction should be present according to QM while a part of the diffraction pattern dependent on the position of the beam should appear according to SED plus spin. A relevant experiment is proposed to discriminate between the two theories. A second proposed experiment regards the form of the diffraction pattern. The intensities of the minima should be almost zero if the wall containing the slit is made of metal but appreciably different from zero if the wall is made of a dielectric. For a dielectric constant ≃ 2 the even maxima should be less than the minima.

  12. Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7.

    PubMed

    Sulimov, A V; Kutov, D C; Katkova, E V; Sulimov, V B

    2017-01-01

    Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force field with implicit water solvent in the PCM model. Among several hundred thousand local minima, which are found in the docking procedure, about eight thousand lowest energy minima are chosen and then energies of these minima are recalculated with the recent quantum chemical semiempirical PM7 method. This procedure is applied to 16 test complexes with different proteins and ligands. For almost all test complexes such energy recalculation results in the global energy minimum configuration corresponding to the ligand pose near the native ligand position in the crystalized protein-ligand complex. A significant improvement of the ligand positioning accuracy comparing with MMFF94 energy calculations is demonstrated.

  13. Differential physiological responses of two Salvinia species to hexavalent chromium at a glance.

    PubMed

    Prado, Carolina; Chocobar Ponce, Silvana; Pagano, Eduardo; Prado, Fernando E; Rosa, Mariana

    2016-06-01

    In plants of Salvinia rotundifolia and Salvinia minima the effect of two Cr(VI) concentrations (5 and 20mgL(-1)) applied for 7days was assessed by measuring changes in biomass, photosynthetic pigments, Cr accumulation, malondialdehyde (MDA), membrane stability index (MSI), thiols (TT, NPT and PBT), and phenolics (SP and IP). Biomass in S. minima was decreased at highest Cr(VI) concentration, but there were no changes in S. rotundifolia. Metal accumulation was different in both species. S. minima accumulates more metal in fronds, but S. rotundifolia accumulates more metal in lacinias. Results also showed that S. minima translocates more Cr to fronds than S. rotundifolia, but at the whole plant level higher accumulation occurred in this last. Tolerance index (Ti) was higher in S. rotundifolia. Chl b and carotenoids were decreased only upon exposure to high Cr(VI) concentration in both species. Cr(VI) treatment did not enhance MDA accumulation. Cr exposure had no impact on MSI values when comparing with Cr-untreated values. Thiols in fronds and lacinias showed different distribution patterns between species. IP and NPT were higher in S. rotundifolia lacinias that accumulate more Cr than S. minima lacinias. Whilst SP and NPT were higher in S. minima fronds compared with S. rotundifolia ones. This may indicate that these species can cope with Cr(VI) toxicity, either through metal complexation and/or metal reduction or by the scavenging of ROS derived from Cr-induced oxidative stress. Based on Cr accumulation and biomass production, S. rotundifolia seems more suitable to remove Cr(VI) from polluted waters.

  14. The Scalar Mesons and Z(3) Symmetry

    SciTech Connect

    Toernqvist, Nils A.

    2007-02-27

    It is pointed out that the det{sigma} + det{sigma}{dagger} term, which resolves the UA(1) problem in effective theories, gives rise to three classical minima along the UA(1) circle when Nf = 3. The three minima are related to the center Z(3) of SU(3). This Z(3) symmetry can be retained if the SU(3)L x SU(3)R symmetry breaking is assumed to be trilinear in the fields. The three vacua suggests a connection to the strong CP problem and confinement.

  15. Acoustic concentration of particles in fluid flow

    DOEpatents

    Ward, Michael D.; Kaduchak, Gregory

    2010-11-23

    An apparatus for acoustic concentration of particles in a fluid flow includes a substantially acoustically transparent membrane and a vibration generator that define a fluid flow path therebetween. The fluid flow path is in fluid communication with a fluid source and a fluid outlet and the vibration generator is disposed adjacent the fluid flow path and is capable of producing an acoustic field in the fluid flow path. The acoustic field produces at least one pressure minima in the fluid flow path at a predetermined location within the fluid flow path and forces predetermined particles in the fluid flow path to the at least one pressure minima.

  16. Optical Model and Cross Section Uncertainties

    SciTech Connect

    Herman,M.W.; Pigni, M.T.; Dietrich, F.S.; Oblozinsky, P.

    2009-10-05

    Distinct minima and maxima in the neutron total cross section uncertainties were observed in model calculations using spherical optical potential. We found this oscillating structure to be a general feature of quantum mechanical wave scattering. Specifically, we analyzed neutron interaction with 56Fe from 1 keV up to 65 MeV, and investigated physical origin of the minima.We discuss their potential importance for practical applications as well as the implications for the uncertainties in total and absorption cross sections.

  17. The Muon F-µ+-F Hydrogen Bond-like Complex.

    PubMed

    Blinc, Robert; Lahajnar, Gojmir; Potočnik, Anton

    2011-09-01

    Muon spin rotation (µSR) and relaxation has been used to study the local magnetic structure of K3Fe5F15. A collinear F-µ+-F "hydrogen bond-like" symmetric double minimum type complex with a F...F distance of 2.8 Å and a separation between the two minima of 0.8 Å has been found in the paramagnetic phase. The apparent central position of the muon seems to be the result of fast muon tunneling between two equivalent minima in the F-µ+-F bond.

  18. Improved Particle Swarm Optimization for Global Optimization of Unimodal and Multimodal Functions

    NASA Astrophysics Data System (ADS)

    Basu, Mousumi

    2016-12-01

    Particle swarm optimization (PSO) performs well for small dimensional and less complicated problems but fails to locate global minima for complex multi-minima functions. This paper proposes an improved particle swarm optimization (IPSO) which introduces Gaussian random variables in velocity term. This improves search efficiency and guarantees a high probability of obtaining the global optimum without significantly impairing the speed of convergence and the simplicity of the structure of particle swarm optimization. The algorithm is experimentally validated on 17 benchmark functions and the results demonstrate good performance of the IPSO in solving unimodal and multimodal problems. Its high performance is verified by comparing with two popular PSO variants.

  19. Computer-aided analysis of signals from a low-coherence Fabry-Perot interferometer used for measurements of biological samples

    NASA Astrophysics Data System (ADS)

    Mrotek, Marcin; Pluciński, Jerzy; Jedrzejewska-Szczerska, Małgorzata

    2016-09-01

    The aim of the study was to develop an automated computer-aided system for analysis of spectrograms obtained from measurements of biological samples performed with a low-coherence Fabry-Pérot interferometer. Information necessary to determine dispersion characteristics of measured materials can be calculated from the positions of the maxima and minima that are present in their spectra. The main challenge faced during the development of the system was reliable detection of these maxima and minima in the presence of noise, without requiring substantial user interaction, and with an acceptable computational complexity.

  20. Method and apparatus for thickness measurement using microwaves

    DOEpatents

    Woskov, Paul [Bedford, MA; Lamar, David A [West Richland, WA

    2001-01-01

    The method for measuring the thickness of a material which transmits a detectable amount of microwave radiation includes irradiating the material with coherent microwave radiation tuned over a frequency range. Reflected microwave radiation is detected, the reflected radiation having maxima and minima over the frequency range as a result of coherent interference of microwaves reflected from reflecting surfaces of the material. The thickness of the material is determined from the period of the maxima and minima along with knowledge of the index of refraction of the material.

  1. Ecological-floristic analysis of soil algae and cyanobacteria on the Tra-Tau and Yurak-Tau Mounts, Bashkiria

    NASA Astrophysics Data System (ADS)

    Bakieva, G. R.; Khaibullina, L. S.; Gaisina, L. A.; Kabirov, R. R.

    2012-09-01

    The species composition of the soil algae and cyanobacteria in the Tra-Tau and Yurak-Tau mountains is represented by 136 species belonging to five phyla: Cyanobacteria (56 species), Chlorophyta (52 species), Xanthophyta (13 species), Bacillariophyta (12 species), and Eustigmatophyta (3 species). Hantzschia amphioxys var. amphioxys, Hantzschia amphioxys var. constricta, Klebsormidium flaccidum, Leptolyngbya foveolarum, Luticola mutica, Navicula minima var. minima, Nostoc punctiforme, Phormidium jadinianum, Phormidium autumnale, and Pinnularia borealis were identified more often than other species. The composition of the algal flora depended on the soil properties; the higher plants also had a significant influence on the species composition of the soil algae.

  2. Gaussian-mixture umbrella sampling

    PubMed Central

    van der Vaart, Arjan; Karplus, Martin

    2009-01-01

    We introduce the Gaussian-mixture umbrella sampling method (GAMUS), a biased molecular dynamics technique based on adaptive umbrella sampling that efficiently escapes free energy minima in multi-dimensional problems. The prior simulation data are reweighted with a maximum likelihood formulation, and the new approximate probability density is fit to a Gaussian-mixture model, augmented by information about the unsampled areas. The method can be used to identify free energy minima in multi-dimensional reaction coordinates. To illustrate GAMUS, we apply it to the alanine dipeptide (2D reaction coordinate) and tripeptide (4D reaction coordinate). PMID:19284746

  3. Angle-Resolved Photoelectron Spectrometry Studies of the Autoionization of the 2s{sup 2}2p {sup 2}P Triply Excited State of Atomic Lithium: Experimental Results and R -Matrix Calculations

    SciTech Connect

    Diehl, S.; Cubaynes, D.; Zhou, H. L.; VoKy, L.; Wuilleumier, F. J.; Kennedy, E. T.; Bizau, J. M.; Manson, S. T.; Morgan, T. J.; Blancard, C.

    2000-02-21

    We have measured the angle-resolved energy dependence of the electrons emitted over the energy range of the triply excited 2s{sup 2}2p P{sup 2} lithium resonance using synchrotron radiation. We have also calculated the behavior of the angular distribution parameter {beta} using the R -matrix approximation. Experimental and theoretical results are in good agreement and show deep minima in the 1s2p P{sup 1,} {sup 3} ionic channels. The energy at which the minima occur does not coincide with the resonance energy, but is shifted towards higher energy. (c) 2000 The American Physical Society.

  4. Atomistic Modeling of Mechanical Loss in Amorphous Oxides

    NASA Astrophysics Data System (ADS)

    Hamdan, Rashid; Trinastic, Jonathan; Cheng, Hai-Ping

    2013-03-01

    The mechanical and optical loss in amorphous solids, described by the internal friction and light scattering susceptibility are investigated using classical, atomistic molecular dynamics simulation. We implemented the trajectory bisection method and the non-local ridge method in DL-POLY molecular dynamics simulation software. These methods were used to locate the different local potential energy minima that a system visits through an MD trajectory and the transition state between any two consecutive minima. From the distributions of the barrier height and asymmetry, and the relaxation time of the different transition states we calculated the internal friction of pure amorphous silica and mixed oxides. Acknowledgment: NSF/PHYS

  5. Computational study of the rovibrational spectrum of (CO2)2

    NASA Astrophysics Data System (ADS)

    Wang, Xiao-Gang; Carrington, Tucker; Dawes, Richard

    2016-12-01

    An interpolating moving least squares method is used to fit ab initio points to obtain an intermolecular potential energy surface (PES) for (CO2)2. The surface is used in conjunction with the symmetry-adapted Lanczos algorithm to compute rovibrational transition frequencies. The PES has four equivalent minima separated by barriers high enough that tunneling splittings are very small. The lowest energy pathway connecting the minima is a disrotatory channel. The calculations enable us to assign a combination band observed by Dehghany et al. (2010).

  6. Energy Landscape of Social Balance

    NASA Astrophysics Data System (ADS)

    Marvel, Seth A.; Strogatz, Steven H.; Kleinberg, Jon M.

    2009-11-01

    We model a close-knit community of friends and enemies as a fully connected network with positive and negative signs on its edges. Theories from social psychology suggest that certain sign patterns are more stable than others. This notion of social “balance” allows us to define an energy landscape for such networks. Its structure is complex: numerical experiments reveal a landscape dimpled with local minima of widely varying energy levels. We derive rigorous bounds on the energies of these local minima and prove that they have a modular structure that can be used to classify them.

  7. Oxygen-induced recombination centers in as-grown Czochralski silicon crystals

    NASA Technical Reports Server (NTRS)

    Nauka, K.; Gatos, H. C.; Lagowski, J.

    1983-01-01

    Simultaneous quantitative microprofiles of the interstitial oxygen concentration and of the excess carrier lifetime are obtained in Czochralski-grown Si crystals employing double laser absorption scanning. It is found that oxygen concentration maxima and minima along the crystal growth direction coincide with lifetime minima and maxima, respectively. Another finding is that the magnitude of oxygen-induced lifetime changes increases dramatically in going from the center to the periphery of the crystal. The findings discussed imply that 'as-grown' oxygen precipitates figure in lifetime-limiting processes.

  8. Solar wind, radiation belt electrons and atmospheric vorticity

    NASA Astrophysics Data System (ADS)

    Mironova, Irina; Tinsley, Brian; Zhou, Limin

    The association of atmospheric vorticity changes with solar wind sector structure explored by John Wilcox and Walter Orr Roberts in the 1970s is examined in terms of the sector related minima in solar wind speed, and associated minima in relativistic electron precipitation from the outer radiation belt. Stronger correlations of atmospheric vorticity with the relativistic electron flux are found than with either solar wind speed or the passage of magnetic sector boundaries over the Earth. This is consistent with changes in the ionosphere-earth current density affecting cloud microphysics, with the ionization from the Bremsstrahlung X-rays from the relativistic electron precipitation increasing the conductivity of the stratosphere.

  9. Photometric geodesy of main-belt asteroids. III. Additional lightcurves

    SciTech Connect

    Weidenschilling, S.J.; Chapman, C.R.; Davis, D.R.; Greenberg, R.; Levy, D.H. )

    1990-08-01

    A total of 107 complete or partial lightcurves are presented for 59 different asteroids over the 1982-1989 period. Unusual lightcurves with unequal minima and maxima at large amplitudes are preferentially seen for M-type asteroids. Some asteroids, such as 16 Psyche and 201 Penelope, exhibit lightcurves combining large amplitude with very unequal brightness for both maxima and both minima, even at small phase angles. An M-type asteroid is believed to consist of a metal core of a differentiated parent body that has had its rocky mantle completely removed by one or more large impacts. 39 refs.

  10. De novo sequencing and analysis of the Ulva linza transcriptome to discover putative mechanisms associated with its successful colonization of coastal ecosystems

    PubMed Central

    2012-01-01

    Background The green algal genus Ulva Linnaeus (Ulvaceae, Ulvales, Chlorophyta) is well known for its wide distribution in marine, freshwater, and brackish environments throughout the world. The Ulva species are also highly tolerant of variations in salinity, temperature, and irradiance and are the main cause of green tides, which can have deleterious ecological effects. However, limited genomic information is currently available in this non-model and ecologically important species. Ulva linza is a species that inhabits bedrock in the mid to low intertidal zone, and it is a major contributor to biofouling. Here, we presented the global characterization of the U. linza transcriptome using the Roche GS FLX Titanium platform, with the aim of uncovering the genomic mechanisms underlying rapid and successful colonization of the coastal ecosystems. Results De novo assembly of 382,884 reads generated 13,426 contigs with an average length of 1,000 bases. Contiguous sequences were further assembled into 10,784 isotigs with an average length of 1,515 bases. A total of 304,101 reads were nominally identified by BLAST; 4,368 isotigs were functionally annotated with 13,550 GO terms, and 2,404 isotigs having enzyme commission (EC) numbers were assigned to 262 KEGG pathways. When compared with four other full sequenced green algae, 3,457 unique isotigs were found in U. linza and 18 conserved in land plants. In addition, a specific photoprotective mechanism based on both LhcSR and PsbS proteins and a C4-like carbon-concentrating mechanism were found, which may help U. linza survive stress conditions. At least 19 transporters for essential inorganic nutrients (i.e., nitrogen, phosphorus, and sulphur) were responsible for its ability to take up inorganic nutrients, and at least 25 eukaryotic cytochrome P450s, which is a higher number than that found in other algae, may be related to their strong allelopathy. Multi-origination of the stress related proteins, such as glutamate

  11. The emergence of a new chlorophytan system, and Dr. Kornmann's contribution thereto

    NASA Astrophysics Data System (ADS)

    van den Hoek, C.; Stam, W. T.; Olsen, J. L.

    1988-09-01

    In traditional chlorophytan systems the organizational level was the primary character for the distinction of main groups (classes and orders). For instance, in Fott (1971), the flagellate level corresponds with the Volvocales, the coccoid level with the Chlorococcales, the filamentous level with the Ulotrichales, the siphonocladous level with the Siphonocladales, and the siphonous level with the Bryopsidales. The new system presented here is an elaboration and emendation of recently proposed taxonomies and their underlying phylogenetic hypotheses, and it is mainly based on ultrastructural features which have become available over the last 15 years. The following criteria are used for the distinction of classes and orders: (1) architecture of the flagellate cell (flagellate cells are considered as the depositories of primitive characters); (2) type of mitosis-cytokinesis; (3) place of meiosis in the life history and, consequently, the sexual life history type; (4) organizational level and thallus architecture; (5) habitat type (marine versus feshwater and terrestrial); (6) chloroplast type. The following classes are presented: Prasinophyceae, Chlamydophyceae, Ulvophyceae (orders Codiolales, Ulvales, Cladophorales, Bryopsidales, Dasycladales), Pleurastrophyceae (?), Chlorophyceae s.s. (orders Cylindrocapsales, Oedogoniales, Chaetophorales), Zygnematophyceae, Trentepohliophyceae, Charophyceae (orders Klebsormidiales, Coleochaetales, Charales). The new system no longer reflects the traditional hypothesis of a stepwise evolutionary progression of organizational levels in which the flagellate level represents the most primitive lineage, the coccoid and sarcinoid levels lineages of intermediate derivation, and the filamentous, siphonocladous and siphonous levels the most derived lineages. Instead, it is now hypothesized that these levels have arisen over and over again in different chlorophytan lineages which are primarily characterized by their type of flagellate cell

  12. Nuclear DNA Content Estimates in Green Algal Lineages: Chlorophyta and Streptophyta

    PubMed Central

    Kapraun, Donald F.

    2007-01-01

    Background and Aims Consensus higher-level molecular phylogenies present a compelling case that an ancient divergence separates eukaryotic green algae into two major monophyletic lineages, Chlorophyta and Streptophyta, and a residuum of green algae, which have been referred to prasinophytes or micromonadophytes. Nuclear DNA content estimates have been published for less than 1% of the described green algal members of Chlorophyta, which includes multicellular green marine algae and freshwater flagellates (e.g. Chlamydomonas and Volvox). The present investigation summarizes the state of our knowledge and adds substantially to our database of C-values, especially for the streptophyte charophycean lineage which is the sister group of the land plants. A recent list of 2C nuclear DNA contents for isolates and species of green algae is expanded by 72 to 157. Methods The DNA-localizing fluorochrome DAPI (4′,6-diamidino-2-phenylindole) and red blood cell (chicken erythrocytes) standard were used to estimate 2C values with static microspectrophotometry. Key Results In Chlorophyta, including Chlorophyceae, Prasinophyceae, Trebouxiophyceae and Ulvophyceae, 2C DNA estimates range from 0·01 to 5·8 pg. Nuclear DNA content variation trends are noted and discussed for specific problematic taxon pairs, including Ulotrichales–Ulvales, and Cladophorales–Siphonocladales. For Streptophyta, 2C nuclear DNA contents range from 0·2 to 6·4 pg, excluding the highly polyploid Charales and Desmidiales, which have genome sizes of up to 14·8 and 46·8 pg, respectively. Nuclear DNA content data for Streptophyta superimposed on a contemporary molecular phylogeny indicate that early diverging lineages, including some members of Chlorokybales, Coleochaetales and Klebsormidiales, have genomes as small as 0·1–0·5 pg. It is proposed that the streptophyte ancestral nuclear genome common to both the charophyte and the embryophyte lineages can be characterized as 1C = 0·2 pg and 1n = 6

  13. Cadophora species as trunk pathogens and wood-infecting fungi of grapevine in North America

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cadophora species, in particular Cadophora luteo-olivacea, are reported from grapevine (Vitis vinifera L.) in California, South Africa, Spain, Uruguay, and Canada. Frequent isolation from vines co-infected with the Esca pathogens (Togninia minima, Phaeomoniella chlamydospora), and confirmation of it...

  14. Hydrolysis of Phosphorus Esters: A Computational Study

    DTIC Science & Technology

    2005-04-01

    Bernhard. Reaction Path Following in Mass- Weighted Internal Coordinates. J. Phys. Chem. 1990, 94, pp 5523-7. 18. Onsager , Lars . Electric Moments of...confirm that the transition states did in fact connect their corresponding minima. For the inclusion of solvation on the anionic systems, the Onsager SCRF

  15. Software for Fermat's Principle and Lenses

    ERIC Educational Resources Information Center

    Mihas, Pavlos

    2012-01-01

    Fermat's principle is considered as a unifying concept. It is usually presented erroneously as a "least time principle". In this paper we present some software that shows cases of maxima and minima and the application of Fermat's principle to the problem of focusing in lenses. (Contains 12 figures.)

  16. Elastic Rod Model of a DNA Loop in the Lac Operon

    NASA Astrophysics Data System (ADS)

    Balaeff, Alexander; Mahadevan, L.; Schulten, Klaus

    1999-12-01

    We use the theory of elasticity to compute the shape of the DNA loop bridging the gap in the crystal structure of the lac repressor-DNA complex. The Kirchhoff system of equations with boundary conditions derived from the crystal structure is solved using a continuation method. This approach can be applied effectively to find coarse-grained conformational minima of DNA loops.

  17. Examination of Bursty Electromagnetic Waves Observed During Intervals of Turbulent Magnetosheath Reconnection

    NASA Technical Reports Server (NTRS)

    Adrian, Mark L.; Wendel, D. E.

    2011-01-01

    We investigate observations of intense bursts of electromagnetic waves in association with magnetic reconnection in the turbulent magnetosheath. These structured, broadband bursts occur above 80-Hz, often displaying features reminiscent of absorption bands and are observed at local minima in the magnetic field. We present detailed analyses of these intense bursts of electromagnetic waves and quantify their proximity to X- and O-nulls.

  18. The Heat Capacity of Ideal Gases

    ERIC Educational Resources Information Center

    Scott, Robert L.

    2006-01-01

    The heat capacity of an ideal gas has been shown to be calculable directly by statistical mechanics if the energies of the quantum states are known. However, unless one makes careful calculations, it is not easy for a student to understand the qualitative results. Why there are maxima (and occasionally minima) in heat capacity-temperature curves…

  19. A measurement by BOOMERANG of multiple peaks in the angular power spectrum of the cosmic microwave background

    NASA Technical Reports Server (NTRS)

    Netterfield, C. B.; Ade, P. A. R.; Bock, J. J.; Bond, J. R.; Borrill, J.; Boscaleri, A.; Coble, K.; Contaldi, C. R.; Crill, B. P.; Bernardis, P. de; Farese, P.; Ganga, K.; Giacometti, M.; Hivon, E.; Hristov, V. V.; Iacoangeli, A.; Jaffe, A. H.; Jones, W. C.; Lange, A. E.; Martinis, L.; Masi, S.; Mason, P.; Mauskopf, P.; Melchiorri, A.; Montroy, T.

    2001-01-01

    This paper presents a measurement of the angular power spectrum of the Cosmic Microwave Background from l = 75 to l = 1025 (10' to 5 degrees) from a combined analysis of four 150 GHz channels in the BOOMERANG experiment. The spectrum contains multiple peaks and minima, as predicted by standard adiabatic-inflationary models in which the primordial plasma undergoes acoustic oscillations.

  20. Double Eclipsing Binary Fitting

    NASA Astrophysics Data System (ADS)

    Cagas, P.; Pejcha, O.

    2012-06-01

    The parameters of the mutual orbit of eclipsing binaries that are physically connected can be obtained by precision timing of minima over time through light travel time effect, apsidal motion or orbital precession. This, however, requires joint analysis of data from different sources obtained through various techniques and with insufficiently quantified uncertainties. In particular, photometric uncertainties are often underestimated, which yields too small uncertainties in minima timings if determined through analysis of a χ2 surface. The task is even more difficult for double eclipsing binaries, especially those with periods close to a resonance such as CzeV344, where minima get often blended with each other. This code solves the double binary parameters simultaneously and then uses these parameters to determine minima timings (or more specifically O-C values) for individual datasets. In both cases, the uncertainties (or more precisely confidence intervals) are determined through bootstrap resampling of the original data. This procedure to a large extent alleviates the common problem with underestimated photometric uncertainties and provides a check on possible degeneracies in the parameters and the stability of the results. While there are shortcomings to this method as well when compared to Markov Chain Monte Carlo methods, the ease of the implementation of bootstrapping is a significant advantage.

  1. Circulating tumor cell detection using photoacoustic spectral methods

    NASA Astrophysics Data System (ADS)

    Strohm, Eric M.; Berndl, Elizabeth S. L.; Kolios, Michael C.

    2014-03-01

    A method to detect and differentiate circulating melanoma tumor cells (CTCs) from blood cells using ultrasound and photoacoustic signals with frequencies over 100 MHz is presented. At these frequencies, the acoustic wavelength is similar to the dimensions of a cell, which results in unique features in the signal; periodically varying minima and maxima occur throughout the power spectrum. The spacing between minima depends on the ratio of the size to sound speed of the cell. Using a 532 nm pulsed laser and a 375 MHz center frequency wide-bandwidth transducer, the ultrasound and photoacoustic signals were measured from single cells. A total of 80 cells were measured, 20 melanoma cells, 20 white blood cells (WBCs) and 40 red blood cells (RBCs). The photoacoustic spectral spacing Δf between minima was 95 +/- 15 MHz for melanoma cells and greater than 230 MHz for RBCs. No photoacoustic signal was detected from WBCs. The ultrasonic spectral spacing between minima was 46 +/- 9 MHz for melanoma cells and 98 +/- 11 for WBCs. Both photoacoustic and ultrasound signals were detected from melanoma cells, while only ultrasound signals were detected from WBCs. RBCs showed distinct photoacoustic spectral variations in comparison to any other type of cell. Using the spectral spacing and signal amplitudes, each cell type could be grouped together to aid in cell identification. This method could be used for label-free counting and classifying cells in a sample.

  2. FLOYDS Classification of ASASSN-14dq as a Young Type II SN

    NASA Astrophysics Data System (ADS)

    Arcavi, I.; Valenti, S.; Howell, D. A.; Sand, D.

    2014-07-01

    We obtained a spectrum of ASASSN-14dq (ATel #6301) on 2014 July 9.5 (UT) with the robotic FLOYDS instrument mounted on the Faulkes Telescope North. The spectrum displays a blue continuum with broad hydrogen p-cygni features having absorption minima at ~10000 km/s.

  3. FLOYDS Classification of ASASSN-14ha as a Young Type II SN

    NASA Astrophysics Data System (ADS)

    Arcavi, I.; Valenti, S.; Hosseinzadeh, G.; Mccully, C.; Howell, D. A.; Sand, D.

    2014-09-01

    We obtained a spectrum of ASASSN-14ha (ATel #6460) on 2014 September 13 (UT) with the robotic FLOYDS instrument mounted on the Faulkes Telescope South. The spectrum displays a blue continuum with H and He I p-cygni features at the redshift of the host galaxy (z~0.05), showing relatively low velocity (~3000-4000 km/s) absorption minima.

  4. Prelimary Photoelectric Light Curve for DHK29=SAO 70629

    NASA Astrophysics Data System (ADS)

    Kaiser, Daniel H.; Gunn, Jerry B.; Lamb, Charles F.; Sullivan, Philip

    The newly discovered eclipsing binary star DHK 29 = SAO 70629 has been observed photoelectrically from October 1992 to October 1993. With the light curve coverage 75% complete, it is apparent that the initial 1.9-day period reported in IB VS 3815 is the half-period. Three times of primary minima have been determined. New light elements are given.

  5. ESTIMATION OF TOTAL DISSOLVED NITRATE LOAD IN NATURAL STREAM FLOWS USING AN IN-STREAM MONITOR

    EPA Science Inventory

    Estuaries respond rapidly to rain events and the nutrients carried by inflowing rivers such that discrete samples at weekly or monthly intervals are inadequate to catch the maxima and minima in nutrient variability. To acquire data with sufficient sampling frequency to realistica...

  6. Material Properties and Defects Characterization Using LLW Data

    NASA Technical Reports Server (NTRS)

    Bar-Cohen, Y.; Mal, A.; Chang, Z.

    1998-01-01

    Leaky Lamb Wave (LLW) propagation in composite materials has been studied extensively since it was first observed in 1982. The wave is induced using a pitch-catch arrangement and the plate wave modes are detected by identifying minima in the reflected spectra to obtain the dispersion data.

  7. Empirical Analysis of Optical Attenuator Performance in Quantum Key Distribution Systems Using a Particle Model

    DTIC Science & Technology

    2012-03-01

    minima as shown on the right of Figure 2. James Clerk Maxwell would come to define the characteristics of light, and electromagnetic energy in...developed by Maxwell . They suggest increasing wave amplitudes should increase the energy of the electrons emitted, but that’s not what’s observed

  8. Higher-Spin Theory of the Magnetorotons

    NASA Astrophysics Data System (ADS)

    Golkar, Siavash; Nguyen, Dung Xuan; Roberts, Matthew M.; Son, Dam Thanh

    2016-11-01

    Fractional quantum Hall liquids exhibit a rich set of excitations, the lowest energy of which are the magnetorotons with dispersion minima at a finite momentum. We propose a theory of the magnetorotons on the quantum Hall plateaux near half filling, namely, at filling fractions ν =N /(2 N +1 ) at large N . The theory involves an infinite number of bosonic fields arising from bosonizing the fluctuations of the shape of the composite Fermi surface. At zero momentum there are O (N ) neutral excitations, each carrying a well-defined spin that runs integer values 2 ,3 ,…. The mixing of modes at nonzero momentum q leads to the characteristic bending down of the lowest excitation and the appearance of the magnetoroton minima. A purely algebraic argument shows that the magnetoroton minima are located at q ℓB=zi/(2 N +1 ), where ℓB is the magnetic length and zi are the zeros of the Bessel function J1, independent of the microscopic details. We argue that these minima are universal features of any two-dimensional Fermi surface coupled to a gauge field in a small background magnetic field.

  9. Real-Time Characterization of Materials Degradation Using Leaky Lamb Wave

    NASA Technical Reports Server (NTRS)

    Shiuh, S.; Bar-Cohen, Y.

    1997-01-01

    Leaky Lamb wave (LLW) propagation in composite materials has been studied extensively since it was first observed in 1982. The wave is induced using a pitch-catch arrangement and the plate wave modes are detected by searching minima in the reflected spectra.

  10. AFLP Analysis Provides Strategies for Improvement of Momordica Charantia L. (Bitter Gourd)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Monoecious bitter gourd (Momordica charantia L. var. minima and maxima Williams & Ng), a cucurbit of major economic importance, is widely cultivated in India, China, Africa, and South America. Although the morphology (i.e., growth habit and fruit shape, size, color and surface texture) of Indian bi...

  11. Genetic Diversity Analysis of Indian Bitter Gourd (Momordica Charantia L.) Allows for the Development of Crop Improvement Strategies

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Bitter gourd (Momordica charantia L. var. minima and var. maxima) or bitter melon is one of the most economically important cucurbit species worldwide. Although India is the center of origin of bitter melon, and cultivars and landraces of this species are widely cultivated in Asia, a rigorous asses...

  12. 77 FR 9163 - Removal of Category IIIa, IIIb, and IIIc Definitions

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-16

    ... Administration 14 CFR Part 1 RIN 2120-AK03 Removal of Category IIIa, IIIb, and IIIc Definitions AGENCY: Federal... removing the definitions of Category IIIa, IIIb, and IIIc operations. The definitions are outdated because... definitions will aid in international harmonization efforts, future landing minima reductions, and...

  13. Adult brightness vs. luminance as models of infant photometry: variability, biasability, and spectral characteristics for the two age groups favor the luminance model.

    PubMed

    Teller, Davida Y; Pereverzeva, Maria; Civan, Andrea L

    2003-01-01

    When infants fail to make chromatic discriminations, do the characteristics of their performance minima coincide more closely with the properties of adult luminance matches or heterochromatic brightness matches? In addition to their spectral properties, adult luminance matches are typically characterized by relatively small individual differences, whereas brightness matches are believed to be both more variable and more biasable. Two complementary experiments were carried out on adults and 8-week-old infant subjects. Both groups were tested with small (1.5 degrees to 4 degrees ) red and blue test fields of varying luminances, embedded in a white surround. In adults, heterochromatic brightness matches were measured. Individual differences spanned about 0.5 log units, and brightness matches could be biased by as much as 0.8 log units by varying the range of test field luminances. In infants, the locations of performance minima were measured. Individual differences spanned less than 0.1 log units, the mean performance minima coincided with predictions based on V10(lambda), and the location of the performance minimum was nearly unaffected by the range of test field luminances used. Thus by all three criteria, these data suggest that infants' performance minima are mediated by luminance rather than by brightness signals. To date there remains no evidence that the infant visual system computes a brightness signal.

  14. Theoretical Studies of High Field, High Energy Transport in Gallium Arsenide, Silicon and Heterostructures,

    DTIC Science & Technology

    1983-01-01

    with increasing electric field. This paradoxical result is caused by the high scattering rates to the X and L minima. Note also that even in the most...the average energy of electrons in a semiconductor. (In metals, it is the 106 Fermi energy.) In order to meaningfully define the distribution func

  15. Geomagnetic detection of the sectorial solar magnetic field and the historical peculiarity of minimum 23-24

    USGS Publications Warehouse

    Love, Jeffrey J.; Rigler, J.

    2012-01-01

    [1] Analysis is made of the geomagnetic-activityaaindex covering solar cycle 11 to the beginning of 24, 1868–2011. Autocorrelation shows 27.0-d recurrent geomagnetic activity that is well-known to be prominent during solar-cycle minima; some minima also exhibit a smaller amount of 13.5-d recurrence. Previous work has shown that the recent solar minimum 23–24 exhibited 9.0 and 6.7-d recurrence in geomagnetic and heliospheric data, but those recurrence intervals were not prominently present during the preceding minima 21–22 and 22–23. Using annual-averages and solar-cycle averages of autocorrelations of the historicalaadata, we put these observations into a long-term perspective: none of the 12 minima preceding 23–24 exhibited prominent 9.0 and 6.7-d geomagnetic activity recurrence. We show that the detection of these recurrence intervals can be traced to an unusual combination of sectorial spherical-harmonic structure in the solar magnetic field and anomalously low sunspot number. We speculate that 9.0 and 6.7-d recurrence is related to transient large-scale, low-latitude organization of the solar dynamo, such as seen in some numerical simulations.

  16. Saddle Point Localization of Molecular Wavefunctions

    NASA Astrophysics Data System (ADS)

    Mellau, Georg Ch.; Kyuberis, Aleksandra; Polyansky, Oleg; Zobov, Nikolay Fedorovich; Field, Robert W.

    2016-06-01

    The quantum mechanical description of isomerization is based on bound eigenstates of the molecular potential energy surface. For the near-minimum regions there is a textbook-based relationship between the potential and eigenenergies. Here we show how the saddle point region that connects the two minima is encoded in the energy levels and wave functions of the potential energy surface.

  17. Roles of starting geometries in quantum mechanics studies of cellobiose

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A relaxed HF/6 31G(d) energy surface was constructed for the fraction of phi,psi space that contains most geometries from crystals of molecules similar to cellobiose. Two regions around other minima were examined with unconstrained B3LYP/6 31+G(d) minimizations, as were two sub regions covered by th...

  18. Molecular photoionization as a probe of vibrational-rotational-electronic correlations

    NASA Astrophysics Data System (ADS)

    Rao, R. M.; Poliakoff, E. D.; Wang, Kwanghsi; McKoy, V.

    1996-06-01

    We determine the rotationally state-resolved 2σu-1 photoionization of N2 into alternative vibrational channels as a function of energy over a 200 eV range. Experiment and theory reveal that Cooper minima highlight the coupling between electronic, vibrational, and rotational degrees of freedom over this very wide range.

  19. IDENTIFICATION OF ALGAE WHICH INTERFERE WITH THE DETECTION OF GIARDIA CYSTS AND CRYPTOSPORIDIUM OOCYSTS AND A METHOD FOR ALLEVIATING THIS INTERFERENCE

    EPA Science Inventory

    Fifty-four algal species were tested for cross-reaction in the American Society for Testing and Materials Giardia/Cryptosporidium indirect immunofluorescence assay, and 24 showed some degree of fluorescence. Two species, Navicula minima and Synechococcus elongatus, exhibited a br...

  20. THE IDENTIFICATION OF ALGAE WHICH INTERFERE WITH THE DETECTION OF GIARDIA AND CRYPTOSPORIDIUM AND A METHOD FOR ALLEVIATING THIS INTERFERENCE

    EPA Science Inventory

    Fifty-four algal species were tested for cross-reaction in the American Society for Testing and Materials Giardia/Cryptosporidium indirect immunofluorescence assay, and 24 showed some degree of fluorescence. Two species, Navicula minima and Synechococcus elongatus, exhibited a b...

  1. Optical Physics of Microcavity Surface Emitting Lasers

    DTIC Science & Technology

    2007-11-02

    in confinement factor balances the change in mirror reflectance. For TM and HEM modes, no minima exists since the mirror reflectance is approximately...Noble. "Model of Intra and Extracavity Photodetection for Planar Resonant Cavity Light Emitting Diodes." 24th International Symposium on Compound

  2. 50 forgotten Miras

    NASA Astrophysics Data System (ADS)

    Karlsson, T.; Bengtsson, H.; Wikander, T.; Holmberg, G.; Wahlström, R.; Allen, C.

    2016-12-01

    We report the results of 4 years observing of 50 poorly studied Mira stars. 247 maxima and 241 minima together with current period elements, ranges and colour indices for the stars are presented. "50 forgotten Miras" is an ongoing observing program run by SAAF/V that started in 2012.

  3. Laplacian Smoothing Splines with Generalized Cross Validation for Objective Analysis of Meteorological Data.

    DTIC Science & Technology

    1985-08-01

    REPOR NUMUERVi ACCESO NO3. RECIPIENT’S CATALOG HUMMER NPS-53-85-0008 __ 4. TITLE (and ,Subite) S. TYPE OF REPORT & PERIOD COVER[’D Technical Report...is best. Though not discernable from the table, the GCV func- tion generally was found to have multiple local minima, especial- ly for the larger data

  4. Quasibiennial Periodicity of Solar and Planetary Phenomena

    NASA Astrophysics Data System (ADS)

    Predeanu, Irina

    The quasibiennial oscillation (QBO) of various solar and geophysical parameters is anlysed, taking some planetary configurations as temporal reference points. The incidence of the QBO minima in the proximity of Sun-Mars oppositions is discussed. The increase of this effect when Mars is near the perihelion or Jupiter is conjunct to the Sun is pointed out,

  5. Soil spectra contributions to grass canopy spectral reflectance

    NASA Technical Reports Server (NTRS)

    Tucker, C. J.; Miller, L. D.

    1977-01-01

    The soil or background spectra contribution to grass canopy spectral reflectance for the 0.35 to 0.80 micron region was investigated using in situ collected spectral reflectance data. Regression analysis was used to estimate accurately the unexposed soil spectral reflectance and to quantify maxima and minima for soil-green vegetation reflection contrasts.

  6. "In Situ" Observation of a Soap-Film Catenoid--A Simple Educational Physics Experiment

    ERIC Educational Resources Information Center

    Ito, Masato; Sato, Taku

    2010-01-01

    The solution to the Euler-Lagrange equation is an extremal functional. To understand that the functional is stationary at local extrema (maxima or minima), we propose a physics experiment that involves using a soap film to form a catenoid. A catenoid is a surface that is formed between two coaxial circular rings and is classified mathematically as…

  7. Conformational analysis of thiophene analogs of propranolol

    NASA Astrophysics Data System (ADS)

    Corral, Carlos; Donoso, Rosa; Elguero, Jose; Goya, Pilar; Lissavetzky, Jaime; Rozas, Isabel

    1990-10-01

    Conformation of 3-tert-butylamino-1-thienyloxy-2-propanol, a thiophene analogue of propanolol, have been theoretically investigated by molecular mechanics and semiempirical calculations. The conformational minima obtained have been compared with those reported for propranolol using molecular graphics. The good "fit" obtained can account for the similar biological activity of these compounds.

  8. Decoding heat capacity features from the energy landscape

    NASA Astrophysics Data System (ADS)

    Wales, David J.

    2017-03-01

    A general scheme is derived to connect transitions in configuration space with features in the heat capacity. A formulation in terms of occupation probabilities for local minima that define the potential energy landscape provides a quantitative description of how contributions arise from competition between different states. The theory does not rely on a structural interpretation for the local minima, so it is equally applicable to molecular energy landscapes and the landscapes defined by abstract functions. Applications are presented for low-temperature solid-solid transitions in atomic clusters, which involve just a few local minima with different morphologies, and for cluster melting, which is driven by the landscape entropy associated with the more numerous high-energy minima. Analyzing these features in terms of the balance between states with increasing and decreasing occupation probabilities provides a direct interpretation of the underlying transitions. This approach enables us to identify a qualitatively different transition that is caused by a single local minimum associated with an exceptionally large catchment volume in configuration space for a machine learning landscape.

  9. Theoretical studies of collisional relaxation of highly excited SO{sub 2} in an Ar bath

    SciTech Connect

    Lendvay, G.; Schatz, G.C.; Harding, L.B.

    1995-12-31

    This paper describes molecular dynamics studies of collisional relaxation of highly excited SO{sub 2} in an Ar bath. Most of the calculations use a newly developed global ab initio potential surface for SO{sub 2} that correctly describes the superoxide (SOO) and ring isomers of SO{sub 2} that occur as secondary minima on the ground state potential surface at high energies (about 75% of the dissociation energy) above the C{sub 2v} minimum. Rate constants for the S + O{sub 2} and O + SO reactions are calculated to test this surface, and to examine the importance of electronically excited states in the O + SO recombination. The Ar + SO{sub 2} collisions are described by summing the ab initio potential with empirical intermolecular potentials. The resulting average vibrational energy transfer <{Delta}E> per collision is in good agreement with direct measurements (done at energies where the secondary minima are not populated) at 1000K, but the agreement is poorer at 300K. The agreement is significantly better than was obtained in a previous theoretical study, and our results indicate that the use of improved intramolecular and intermolecular potentials is crucial to obtaining the better results. The energy dependence of <{Delta}E> is found to be much stronger at energies where the secondary minima on the potential surface are accessible, however much of this effect is reproduced using a potential that has the same dissociation energy but not the secondary minima.

  10. Characterization of the dynamics of glass-forming liquids from the properties of the potential energy landscape.

    PubMed

    Banerjee, Sumilan; Dasgupta, Chandan

    2012-02-01

    We develop a framework for understanding the difference between strong and fragile behavior in the dynamics of glass-forming liquids from the properties of the potential energy landscape. Our approach is based on a master equation description of the activated jump dynamics among the local minima of the potential energy (the so-called inherent structures) that characterize the potential energy landscape of the system. We study the dynamics of a small atomic cluster using this description as well as molecular dynamics simulations and demonstrate the usefulness of our approach for this system. Many of the remarkable features of the complex dynamics of glassy systems emerge from the activated dynamics in the potential energy landscape of the atomic cluster. The dynamics of the system exhibits typical characteristics of a strong supercooled liquid when the system is allowed to explore the full configuration space. This behavior arises because the dynamics is dominated by a few lowest-lying minima of the potential energy and the potential energy barriers between these minima. When the system is constrained to explore only a limited region of the potential energy landscape that excludes the basins of attraction of a few lowest-lying minima, the dynamics is found to exhibit the characteristics of a fragile liquid.

  11. USSR Report, Electronics and Electrical Engineering.

    DTIC Science & Technology

    2007-11-02

    results obtained by the thermoluminescence method with an LiF crystal. Both methods agree within their limits of accuracy. The microwave method is...MPa range. The behavior of electric charges was tracked by thermoluminescence measurements. Maxima of thermoluminescence were found to coincide...field intensity, with attendant shifting of thermoluminescence maxima and durability minima toward higher temperatures. Figures 5; references: 3

  12. Artificial Neural Network Metamodels of Stochastic Computer Simulations

    DTIC Science & Technology

    1994-08-10

    Networks, Vol. 5 (1992), pp. 207-220. 55 Haykin, Op. Cit., pp. 190-191. 56 Gon, M. and Tesi , A., "On the Problem of Local Minima in Backpropagation," IEEE...Simulation Experiments: Taguchi Methods and Response Surface Metamodels, by J. Ramberg, S. Sanchez , P. Sanchez , and L. Hollick" (Piscataway, New Jersey

  13. Assessing genotypic diversity and symbiotic efficiency of five rhizobial legume interactions under cadmium stress for soil phytoremediation.

    PubMed

    Guefrachi, I; Rejili, M; Mahdhi, M; Mars, M

    2013-01-01

    In the framework of soil phytoremediation using local legume plants coupled with their native root-nodulating bacteria to increase forage yields and preserve contaminated soils in arid regions of Tunisia, we investigated the diversity of bacteria from root nodules of Lathyrus sativus, Lens culinaris, Medicago marina, M. truncatula, and M. minima and the symbiotic efficiency of these five legume symbiosis under Cadmium stress. Fifty bacterial strains were characterized using physiological and biochemical features such heavy metals resistant, and PCR-RFLP of 16S rDNA. Taxonomically, the isolates nodulating L. sativus, and L. culinaris are species within the genera Rhizobium and the ones associated to Medicago sp, within the genera Sinorhizobium. The results revealed also that the cadmium tolerance of the different legumes-rhizobia interaction was as follows: M. minima < M. truncatula < M. marina < L. sativus < L. culinaris indicating that the effect of Cadmium on root nodulation and biomass production is more deleterious on M. minima-S. meliloti and M. truncatula-S. meliloti than in other symbiosis. Knowledge on genetic and functional diversity of M. marina, L. sativus and L. culinaris microsymbiotes is very useful for inoculant strain selection and can be selected to develop inoculants for soil phytoremediation.

  14. Recycling, Thermodynamics and Environmental Thrift

    ERIC Educational Resources Information Center

    Berry, R. Stephen

    1972-01-01

    Compares the cost, in terms of thermodynamic potential, of manufacturing automobiles from raw mineral resources or from recycled vehicles, and of the production of extended-life products. Uses this as an example for arguing that new technologies, with efficiencies closer to the theoretical themodynamic minima, are needed if a society is to…

  15. The unusual lightcurve of 1990 TR

    NASA Technical Reports Server (NTRS)

    Wisniewski, Wieslaw Z.

    1992-01-01

    Amor asteroid 1990 TR was monitored during three nights shortly after discovery. Obtained lightcurves did not reveal a repeatable curve with two maxima and two minima. However, some features suggest periodicity, and a synodic rotational period P = 6.25 hours was determined. Individual and composite lightcurves are presented. The colors are best represented by the class S.

  16. Relativistic calculations of angle-dependent photoemission time delay

    NASA Astrophysics Data System (ADS)

    Kheifets, Anatoli; Mandal, Ankur; Deshmukh, Pranawa C.; Dolmatov, Valeriy K.; Keating, David A.; Manson, Steven T.

    2016-07-01

    Angular dependence of photoemission time delay for the valence n p3 /2 and n p1 /2 subshells of Ar, Kr, and Xe is studied in the dipole relativistic random phase approximation. Strong angular anisotropy of the time delay is reproduced near respective Cooper minima while the spin-orbit splitting affects the time delay near threshold.

  17. 2. QUANTUM HALL EFFECT: Magnetocapacitance studies of two-dimensional electron systems with long-range potential fluctuations

    NASA Astrophysics Data System (ADS)

    Dorokhova, M. O.; Dorozhkin, S. I.

    2001-10-01

    We report on magnetocapacitance study of the quantum Hall effect (QHE) states. Capacitance minima width was found to be independent of magnetic field and to be the same for even, odd and fractional QHE states when measured as a function of the average electron density. This result indicates that the width of capacitance minima in the samples investigated are governed by long-range carrier density fluctuations. At low temperatures, the amplitudes of the minima decrease linearly with the temperature increase. All our experimental results for the integer QHE states are quantitatively explained by introducing unbroadened magnetic levels and dispersion of the electron density along the sample. The energy gaps at even filling factors obtained from fitting the experimental data are found to be close to the known cyclotron gaps. At odd fillings v = 1, 3, and 5, the energy gaps appear to be enhanced in comparison with the Zeeman splitting, with the enhancement decreasing with filling factor. The capacitance minima are argued to originate from the motion of incompressible regions along a sample caused by the gate voltage variation. We derive the condition for the appearance and motion of such regions for the case of gated samples with long-range fluctuations of density of charged donors. The appearance of narrow magnetocapacitance peaks when a dc current is passed through the sample is reported. We hypothesize that these peaks are due to the current percolation along incompressible regions.

  18. Electronic states of GeCl +

    NASA Astrophysics Data System (ADS)

    Dai, Dingguo; Xu, Hua; Balasubramanian, K.

    1995-11-01

    Twenty-eight electronic states of GeCl + are studied using the complete active space self-consistent field (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods. Spectroscopic constants of electronic states exhibiting minima are computed.

  19. Solar extreme ultraviolet variability of the quiet Sun

    NASA Astrophysics Data System (ADS)

    Shakeri, F.; Teriaca, L.; Solanki, S. K.

    2015-09-01

    The last solar minimum has been unusually quiet compared to the previous minima (since space-based radiometric measurements are available). The Sun's magnetic flux was substantially lower during this minimum. Some studies also show that the total solar irradiance during the minimum after cycle 23 may have dropped below the values known from the two minima prior to that. For chromospheric and coronal radiation, the situation is less clear-cut. The Sun's 10.7 cm flux shows a decrease of ~4% during the solar minimum in 2008 compared to the previous minimum, but Ca ii K does not. Here we consider additional wavelengths in the extreme ultraviolet (EUV), specifically transitions of He i at 584.3 Å and O v at 629.7 Å, of which the CDS spectrometer aboard SOHO has been taking regular scans along the solar central meridian since 1996. We analysed this unique dataset to verify if and how the radiance distribution undergoes measurable variations between cycle minima. To achieve this aim we determined the radiance distribution of quiet areas around the Sun centre. Concentrating on the last two solar minima, we found out that there is very little variation in the radiance distribution of the chromospheric spectral line He i between these minima. The same analysis shows a modest, although significant, 4% variation in the radiance distribution of the TR spectral line O v. These results are comparable to those obtained by earlier studies employing other spectral features, and they confirm that chromospheric indices display a small variation, whereas in the transition region a more significant reduction of the brighter features is visible.

  20. Shoot regeneration of mesophyll protoplasts transformed by Agrobacterium tumefaciens, not achievable with untransformed protoplasts.

    PubMed

    Steffen, A; Eriksson, T; Schieder, O

    1986-04-01

    Alternative methods for shoot regeneration in protoplast derived cultures were developed in Nicotiana paniculata and Physalis minima. In both species protoplast derived callus is not regeneratable to shoots by conventional methods, e.g. hormone treatment. Leaf discs and stem segments of N. paniculata and P. minima were incubated with Agrobacterium tumefaciens "shooter" strains harbouring pGV 2215 or pGV 2298 or wildtype strain B6S3. After 36 h of co-incubation protoplasts were prepared. (Leaf disc and stem segment cloning). Co-cultivation experiments were also undertaken with protoplasts of both species. Transformed clones, characterized by their hormone independent growth and octopine production, could be isolated after about two months. Transformation frequencies of "leaf disc and stem segment cloning" and co-cultivation experiments varied from 5×10(-3) to 5×10(-5). After about one year of cultivation on hormone-free culture medium, shoots could be recovered from colonies of N. paniculata, transformed by the strain harbouring pGV 2298. In protoplast derived colonies of P. minima, shoot induction was obtained only after transformation by bacteria carrying pGV 2215. This demonstrates the importance of the particular "shooter" mutant, as well as the response of the host plant. Transformed shoots of P. minima produced octopine, whereas octopine production in transformed shoots and callus of N. paniculata was undetectable after one year of cultivation, though T-DNA was still present in the plant genome. Transformed shoots of N. paniculata and P. minima do not produce any roots. Shoots of N. paniculata have an especially tumerous phenotype. Shoots of both species were successfully grafted to normal donor plants of N. tabacum.

  1. Hale cycle and long-term trend in variation of galactic cosmic rays related to solar rotation

    NASA Astrophysics Data System (ADS)

    Gil, A.; Mursula, K.

    2017-03-01

    Context. Galactic cosmic ray (GCR) intensities around solar minimum times are modulated by magnetic drifts that depend on the overall solar polarity. GCR intensities reach a higher but more narrow peak during negative minima than during positive minima. However, despite these higher intensities, the variation of GCRs over timescales of solar rotation is smaller during negative minima than during positive minima. Aims: We study the variation of GCR intensity over the 27-day synodic solar rotation and over the 14-day half-rotation, in particular the long-term trend and cyclic pattern of this variation, and propose a unifying explanation for the observations. Methods: We used two high-latitude neutron monitors, Oulu and Apatity, which are most sensitive to the low-energy part of the GCR spectrum and thereby more strongly affected by the changes in the conditions of the local heliosphere. We calculated the yearly mean amplitudes of the GCR intensity variation during the full solar rotation (A27) and half-rotation (A14) in 1964-2016. Results: We verify that the A27 and A14 amplitudes exhibit a clear 22-yr Hale cycle during solar minima at both stations, with larger amplitudes in positive minima. We find that the mean amplitude of the Hale cycle is about 30-45% of the mean amplitude for A14, while is only about 15-30% for A27. We also find that all amplitudes depict a declining long-term trend, which we suggest is due to the weakening of solar polar magnetic fields during the last four solar cycles and the ensuing latitudinal widening of the heliospheric current sheet (HCS) region. An exceptionally wide HCS region during the last solar minimum, when A14 reached its all-time minimum, is demonstrated by Ulysses probe observations. Conclusions: Our results emphasize the effect of polarity-dependent drift and the properties of the HCS in modulating the variation of GCR intensity during solar rotation in solar minimum times. The second rotation harmonic yields a larger Hale

  2. BVR photometric study of NSVS 2607629. A high mass-ratio W-type W UMa system

    NASA Astrophysics Data System (ADS)

    Gürol, Birol; Michel, Raul

    2017-02-01

    We present the results of our investigation of the geometrical and physical parameters of the W UMa-type binary system NSVS 2607629 based on CCD BVRc light curves and their analysis with the Wilson-Devinney code. New times of minima and light elements have been determined. We find that, as seen in eccentric systems, secondary minima do not occur at phase 0.5. According to our solution, the system is found to be a high mass-ratio W-type W UMa system. Combining our photometric solution with the emprical relation obtained for W UMa type systems by Dimitrov and Kjurkchieva (2015) we derive the masses and radii of the components of this eclipsing system as M1 = 0.44M⊙ , M2 = 0.73M⊙ , R1 = 0.57R⊙ and R2 = 0.71R⊙ . The evolutionary state of the system is also discussed.

  3. Fundamental limitations of LIGA x-ray lithography : sidewall offset, slope and minimum feature size.

    SciTech Connect

    Griffiths, Stewart K.

    2004-01-01

    Analytical and numerical methods are used to examine photoelectron doses and their effect on the dimensions of features produced by deep x-ray lithography. New analytical models describing electron doses are presented and used to compute dose distributions for several feature geometries. The history of development and final feature dimensions are also computed, taking into account the dose field, dissolution kinetics based on measured development rates, and the transport of PMMA fragments away from the dissolution front. We find that sidewall offsets, sidewall slope and producible feature sizes all exhibit at least practical minima and that these minima represent fundamental limitations of the LIGA process. The minimum values under optimum conditions are insensitive to the synchrotron spectrum, but depend strongly on resist thickness. This dependence on thickness is well approximated by simple analytical expressions describing the minimum offset, minimum sidewall slope, minimum producible size of positive and negative features, maximum aspect ratio and minimum radius of inside and outside corners.

  4. {alpha}-decay hindrance factors: A probe of mean-field wave functions

    SciTech Connect

    Karlgren, D.; Liotta, R.J.; Wyss, R.; Huyse, M.; Vel, K. van de; Duppen, P. van

    2006-06-15

    A simple model to calculate {alpha}-decay hindrance factors (HF) with special emphasis on the shape coexistence in the Pb-Po region is presented. Using deformation values obtained from potential energy surface (PES) calculations as the only input, hindrance factors for the {alpha} decay of Rn and Po isotopes are calculated. The fair agreement between experimental and theoretical hindrance factors suggest that the wave function obtained from the energy minima of the PES calculations contains an important part of the correlations that play a role for the {alpha} decay. The model is applicable to shape coexistence in the Po and Pb region when minima are well defined. The calculated HF that emerge from these calculations render a different interpretation than the commonly assumed n-particle n-hole picture of the intruder states in the Pb region.

  5. Solar forcing of Gulf of California climate during the past 2000 yr suggested by diatoms and silicoflagellates

    USGS Publications Warehouse

    Barron, John A.; Bukry, David

    2007-01-01

    Cores BAM80 E-17 (27.9° N) and NH01-26 (24.3° N) contain longer-duration cycles of diatoms and silicoflagellates. The early part of Medieval Climate Anomaly (∼ A.D. 900 to 1200) is characterized by two periods of reduced productivity (warmer SST) with an intervening high productivity (cool) interval centered at ∼ A.D. 1050. Reduced productivity and higher SST also characterize the record of the last ∼ 100 to 200 yr in these cores. Solar variability appears to be driving productivity cycles, as intervals of increased radiocarbon production (sunspot minima) correlate with intervals of enhanced productivity. It is proposed that increased winter cooling of the atmosphere above southwest U.S. during sunspot minima causes intensification of the northwest winds that blow down the Gulf during the late fall to early spring, leading to intensified overturn of surface waters and enhanced productivity.

  6. Elastic tracking versus neural network tracking for very high multiplicity problems

    SciTech Connect

    Harlander, M.; Gyulassy, M.

    1991-04-01

    A new Elastic Tracking (ET) algorithm is proposed for finding tracks in very high multiplicity and noisy environments. It is based on a dynamical reinterpretation and generalization of the Radon transform and is related to elastic net algorithms for geometrical optimization. ET performs an adaptive nonlinear fit to noisy data with a variable number of tracks. Its numerics is more efficient than that of the traditional Radon or Hough transform method because it avoids binning of phase space and the costly search for valid minima. Spurious local minima are avoided in ET by introducing a time-dependent effective potential. The method is shown to be very robust to noise and measurement error and extends tracking capabilities to much higher track densities than possible via local road finding or even the novel Denby-Peterson neural network tracking algorithms. 12 refs., 2 figs.

  7. A finite-temperature Hartree-Fock code for shell-model Hamiltonians

    NASA Astrophysics Data System (ADS)

    Bertsch, G. F.; Mehlhaff, J. M.

    2016-10-01

    The codes HFgradZ.py and HFgradT.py find axially symmetric minima of a Hartree-Fock energy functional for a Hamiltonian supplied in a shell model basis. The functional to be minimized is the Hartree-Fock energy for zero-temperature properties or the Hartree-Fock grand potential for finite-temperature properties (thermal energy, entropy). The minimization may be subjected to additional constraints besides axial symmetry and nucleon numbers. A single-particle operator can be used to constrain the minimization by adding it to the single-particle Hamiltonian with a Lagrange multiplier. One can also constrain its expectation value in the zero-temperature code. Also the orbital filling can be constrained in the zero-temperature code, fixing the number of nucleons having given Kπ quantum numbers. This is particularly useful to resolve near-degeneracies among distinct minima.

  8. Cooling of radiative quantum dot excitons by THz-radiation

    NASA Astrophysics Data System (ADS)

    Boxberg, Fredrik; Tulkki, Jukka; Yusa, Go; Sakaki, Hiroyuki

    2007-04-01

    Yusa et al. reported an anomalous cooling of radiative quantum dot (QD) excitons by THz-radiation in [Proc. 24th ICPS, 1083 (1998)] We have analyzed this experiment using continuum elasticity, multi-band kṡp and spin-resolved Monte-Carlo methods. We show that the unexpected discovery is related to hole relaxation via piezo-electric potential minima, induced in the QD sample by InP stressor islands. The THz-radiation gives rise to a drift of dark excitons from the piezo-electric minima to radiative states in the deformation potential minimum. This increases the QD ground state luminescence at the expense of the luminescence from higher QD states. We reproduce also the delayed flash of QD ground state luminescences when a THz-radiation pulse hits the sample even ˜ 1 s after switching off the carrier generation.

  9. Proposal of a checking parameter in the simulated annealing method applied to the spin glass model

    NASA Astrophysics Data System (ADS)

    Yamaguchi, Chiaki

    2016-02-01

    We propose a checking parameter utilizing the breaking of the Jarzynski equality in the simulated annealing method using the Monte Carlo method. This parameter is based on the Jarzynski equality. By using this parameter, to detect that the system is in global minima of the free energy under gradual temperature reduction is possible. Thus, by using this parameter, one is able to investigate the efficiency of annealing schedules. We apply this parameter to the ± J Ising spin glass model. The application to the Gaussian Ising spin glass model is also mentioned. We discuss that the breaking of the Jarzynski equality is induced by the system being trapped in local minima of the free energy. By performing Monte Carlo simulations of the ± J Ising spin glass model and a glassy spin model proposed by Newman and Moore, we show the efficiency of the use of this parameter.

  10. Period changes in six semi-detached Algol-type binaries

    NASA Astrophysics Data System (ADS)

    Zasche, P.; Liakos, A.; Wolf, M.; Niarchos, P.

    2008-08-01

    Six semi-detached Algol-type binaries lacking a period analysis were chosen to test for a presence of a third body. The O-C diagrams of these binaries were analyzed with the least-squares method by using all available times of minima. Also 14 new minima, obtained from our observations, were included in the present research. The light-time effect was adopted as a main factor for the detailed description of the long-term period changes. Third bodies were found with orbital periods from 46 up to 84 years, and eccentricities from 0.0 to 0.78 for the selected binaries. The mass functions and the minimal masses of such bodies were also calculated.

  11. Cloud and convection frequencies over the southeast United States as related to small-scale geographic features

    NASA Technical Reports Server (NTRS)

    Gibson, Harold M.; Vonder Haar, Thomas H.

    1990-01-01

    Based on relatively high spatial and temporal resolution satelite data collected at 0700 CST and at each hour from 1000 CST to 1700 CST during the summer of 1986, cloud and convection variations over the area from Mississippi east to Georgia and from the Gulf of Mexico north to Tennessee are discussed. The data analyses show an average maximum cloud frequency over the land areas at 1400 local time and a maximum of deep convection one hour later. Both cloudiness and deep convection are found to be at a maximum during the nocturnal hours over the Gulf of Mexico. Cloud frequency shows a strong relationship to small terrain features. Small fresh water bodies have cloud minima relative to the surroundings in the afternoon hours. Higher, steep terrain shows cloud maxima and the adjacent lower terrain exhibits afternoon cloud minima due to a divergence of mountain breeze caused by the valley.

  12. Combustion characteristics in the transition region of liquid fuel sprays

    NASA Technical Reports Server (NTRS)

    Cernansky, N. P.; Namer, I.; Tidona, R. J.

    1984-01-01

    A number of important effects were observed in the droplet size transition region in spray combustion systems. In this region, where the mechanism of flame propagation is transformed from diffusive to premixed dominated combustion, the following effects have been observed: (1) maxima in burning velocity; (2) extension of flammability limits; (3) minima in ignition energy; and (4) minima in NO(x) formation. Unfortunately, because of differences in experimental facilities and limitations in the ranges of experimental data, a unified description of these transition region effects is not available at this time. Consequently, a fundamental experimental investigation was initiated to study the effect of droplet size, size distribution, and operating parameters on these transition region phenomena in a single well controlled spray combustion facility.

  13. Nonlinear plastic modes in disordered solids.

    PubMed

    Gartner, Luka; Lerner, Edan

    2016-01-01

    We propose a theoretical framework within which a robust micromechanical definition of precursors to plastic instabilities, often termed soft spots, naturally emerges. They are shown to be collective displacements (modes) z[over ̂] that correspond to local minima of a barrier function b(z[over ̂]), which depends solely on inherent structure information. We demonstrate how some heuristic searches for local minima of b(z[over ̂]) can a priori detect the locus and geometry of imminent plastic instabilities with remarkable accuracy, at strains as large as γ_{c}-γ∼10^{-2} away from the instability strain γ_{c}. Our findings suggest that the a priori detection of the entire field of soft spots can be effectively carried out by a systematic investigation of the landscape of b(z[over ̂]).

  14. The superlattice model of lateral organization of membranes and its implications on membrane lipid homeostasis.

    PubMed

    Somerharju, Pentti; Virtanen, Jorma A; Cheng, Kwan H; Hermansson, Martin

    2009-01-01

    Most biological membranes are extremely complex structures consisting of hundreds of different lipid and protein molecules. According to the famous fluid-mosaic model lipids and many proteins are free to diffuse very rapidly in the plane of the membrane. While such fast diffusion implies that different membrane lipids would be laterally randomly distributed, accumulating evidence indicates that in model and natural membranes the lipid components tend to adopt regular (superlattice-like) distributions. The superlattice model, put forward based on such evidence, is intriguing because it predicts that 1) there is a limited number of allowed compositions representing local minima in membrane free energy and 2) those energy minima could provide set-points for enzymes regulating membrane lipid compositions. Furthermore, the existence of a discrete number of allowed compositions could help to maintain organelle identity in the face of rapid inter-organelle membrane traffic.

  15. Numerical study of the tight-binding approach to overdamped Brownian motion on a tilted periodic potential

    NASA Astrophysics Data System (ADS)

    Challis, K. J.

    2016-12-01

    We present a numerical study of the tight-binding approach to overdamped Brownian motion on a tilted periodic potential. In the tight-binding method the probability density is expanded on a basis of Wannier states to transform the Smoluchowski equation to a discrete master equation that can be interpreted in terms of thermal hopping between potential minima. We calculate the Wannier states and hopping rates for a variety of potentials, including tilted cosine and ratchet potentials. For deep potential minima the Wannier states are well localized and the hopping rates between nearest-neighbor states are qualitatively well described by Kramers' escape rate. The next-nearest-neighbor hopping rates are negative and must be negligible compared to the nearest-neighbor rates for the discrete master equation treatment to be valid. We find that the validity of the master equation extends beyond the quantitative applicability of Kramers' escape rate.

  16. Chiral effects on helicity studied via the energy landscape of short (D, L)-alanine peptides.

    PubMed

    Neelamraju, Sridhar; Oakley, Mark T; Johnston, Roy L

    2015-10-28

    The homochirality of natural amino acids facilitates the formation of regular secondary structures such as α-helices and β-sheets. Here, we study the relationship between chirality and backbone structure for the example of hexa-alanine. The most stable stereoisomers are identified through global optimisation. Further, the energy landscape, a database of connected low-energy local minima and transition points, is constructed for various neutral and zwitterionic stereoisomers of hexa-alanine. Three order parameters for partial helicity are applied and metric disconnectivity graphs are presented with partial helicity as a metric. We also apply the Zimm-Bragg model to derive average partial helicities for Ace-(L-Ala)6-NHMe, Ace-(D-Ala-L-Ala)3-NHMe, and Ace-(L-Ala)3-(D-Ala)3-NHMe from the database of local minima and compare with previous studies.

  17. Liquid-filled photonic-crystal-fiber-based multimodal interferometer for simultaneous measurement of temperature and force.

    PubMed

    Lin, Wei; Song, Binbin; Miao, Yinping; Zhang, Hao; Yan, Donglin; Liu, Bo; Liu, Yange

    2015-02-20

    In this paper, a multimodal interferometer based on the liquid-filled photonic crystal fiber (PCF) has been proposed and experimentally demonstrated for simultaneous measurement of temperature and force. Experimental results show that different spectral minima have distinctive sensitivities to the temperature and force. The proposed interferometer shows the temperature sensitivities of -9.214 nm/°C, -24.757 nm/°C, and -12.543/°C and the force sensitivities of 0 nm/N, 4.978 nm/N, and 0 nm/N, respectively, for the three selected spectral minima. The sensing matrices are thus established and simultaneous measurement of temperature and force has been experimentally demonstrated. The proposed liquid-filled PCF-based multimodal interferometer would find potential applications in multiple-parameter sensing owing to its high sensitivity, compactness, ease of fabrication, and low cost.

  18. Astroid Curves for a Synthetic Antiferromagnetic Stack in AN Applied Magnetic Field

    NASA Astrophysics Data System (ADS)

    Forrester, D. M.; Kovacs, E.; Kürten, K. E.; Kusmartsev, F. V.

    The interaction of two magnetic particles separated by an interlayer is illustrated through the "astroid" curves that represent regions in the magnetic field plane where different numbers of minima associated with stable or metastable states may exist. For a single particle, we describe the astroid curves of the Stoner-Wohlfarth model. The case of two particles is then examined and found to be much more complicated. The energy landscape of the two-particle system contains ferromagnetic, antiferromagnetic and canting states that emerge in response to the level of applied magnetic field. Because of this, up to four energy minima can exist in the system, depending upon the strength of the magnetic field and the material properties of the particles.

  19. Astroid Curves for a Synthetic Antiferromagnetic Stack in AN Applied Magnetic Field

    NASA Astrophysics Data System (ADS)

    Forrester, D. M.; Kovacs, E.; Kürten, K. E.; Kusmartsev, F. V.

    2010-12-01

    The interaction of two magnetic particles separated by an interlayer is illustrated through the "astroid" curves that represent regions in the magnetic field plane where different numbers of minima associated with stable or metastable states may exist. For a single particle, we describe the astroid curves of the Stoner-Wohlfarth model. The case of two particles is then examined and found to be much more complicated. The energy landscape of the two-particle system contains ferromagnetic, antiferromagnetic and canting states that emerge in response to the level of applied magnetic field. Because of this, up to four energy minima can exist in the system, depending upon the strength of the magnetic field and the material properties of the particles.

  20. A note on nonlinear σ-models in noncommutative geometry

    NASA Astrophysics Data System (ADS)

    Lee, Hyun Ho

    2016-03-01

    We study nonlinear σ-models defined on a noncommutative torus as a two-dimensional string worldsheet. We consider (i) a two-point space, (ii) a circle, (iii) a noncommutative torus, (iv) a classical group SU(2, ℂ) as examples of space-time. Based on established results, the trivial harmonic unitaries of the noncommutative chiral model known as local minima are shown not to be global minima by comparing them to the symmetric unitaries derived from instanton solutions of the noncommutative Ising model corresponding to a two-point space. In addition, a ℤ2-action on field maps is introduced to a noncommutative torus, and its action on solutions of various Euler-Lagrange equations is described.

  1. Design of dimerization inhibitors of HIV-1 aspartic proteinase: A computer-based combinatorial approach

    NASA Astrophysics Data System (ADS)

    Caflisch, Amedeo; Schramm, Hans J.; Karplus, Martin

    2000-02-01

    Inhibition of dimerization to the active form of the HIV-1 aspartic proteinase (HIV-1 PR) may be a way to decrease the probability of escape mutations for this viral protein. The Multiple Copy Simultaneous Search (MCSS) methodology was used to generate functionality maps for the dimerization interface of HIV-1 PR. The positions of the MCSS minima of 19 organic fragments, once postprocessed to take into account solvation effects, are in good agreement with experimental data on peptides that bind to the interface. The MCSS minima combined with an approach for computational combinatorial ligand design yielded a set of modified HIV-1 PR C-terminal peptides that are similar to known nanomolar inhibitors of HIV-1 PR dimerization. A number of N-substituted 2,5-diketopiperazines are predicted to be potential dimerization inhibitors of HIV-1 PR.

  2. Two-dimensional time-dependent vortex regions based on the acceleration magnitude.

    PubMed

    Kasten, Jens; Reininghaus, Jan; Hotz, Ingrid; Hege, Hans-Christian

    2011-12-01

    Acceleration is a fundamental quantity of flow fields that captures Galilean invariant properties of particle motion. Considering the magnitude of this field, minima represent characteristic structures of the flow that can be classified as saddle- or vortex-like. We made the interesting observation that vortex-like minima are enclosed by particularly pronounced ridges. This makes it possible to define boundaries of vortex regions in a parameter-free way. Utilizing scalar field topology, a robust algorithm can be designed to extract such boundaries. They can be arbitrarily shaped. An efficient tracking algorithm allows us to display the temporal evolution of vortices. Various vortex models are used to evaluate the method. We apply our method to two-dimensional model systems from computational fluid dynamics and compare the results to those arising from existing definitions.

  3. Data classification using metaheuristic Cuckoo Search technique for Levenberg Marquardt back propagation (CSLM) algorithm

    NASA Astrophysics Data System (ADS)

    Nawi, Nazri Mohd.; Khan, Abdullah; Rehman, M. Z.

    2015-05-01

    A nature inspired behavior metaheuristic techniques which provide derivative-free solutions to solve complex problems. One of the latest additions to the group of nature inspired optimization procedure is Cuckoo Search (CS) algorithm. Artificial Neural Network (ANN) training is an optimization task since it is desired to find optimal weight set of a neural network in training process. Traditional training algorithms have some limitation such as getting trapped in local minima and slow convergence rate. This study proposed a new technique CSLM by combining the best features of two known algorithms back-propagation (BP) and Levenberg Marquardt algorithm (LM) for improving the convergence speed of ANN training and avoiding local minima problem by training this network. Some selected benchmark classification datasets are used for simulation. The experiment result show that the proposed cuckoo search with Levenberg Marquardt algorithm has better performance than other algorithm used in this study.

  4. Stochastic optimization with randomized smoothing for image registration.

    PubMed

    Sun, Wei; Poot, Dirk H J; Smal, Ihor; Yang, Xuan; Niessen, Wiro J; Klein, Stefan

    2017-01-01

    Image registration is typically formulated as an optimization process, which aims to find the optimal transformation parameters of a given transformation model by minimizing a cost function. Local minima may exist in the optimization landscape, which could hamper the optimization process. To eliminate local minima, smoothing the cost function would be desirable. In this paper, we investigate the use of a randomized smoothing (RS) technique for stochastic gradient descent (SGD) optimization, to effectively smooth the cost function. In this approach, Gaussian noise is added to the transformation parameters prior to computing the cost function gradient in each iteration of the SGD optimizer. The approach is suitable for both rigid and nonrigid registrations. Experiments on synthetic images, cell images, public CT lung data, and public MR brain data demonstrate the effectiveness of the novel RS technique in terms of registration accuracy and robustness.

  5. Impact of Mg content on native point defects in Mg{sub x}Zn{sub 1−x}O (0 ≤ x ≤ 0.56)

    SciTech Connect

    Perkins, J.; Foster, G. M.; Myer, M.; Mehra, S.; Chauveau, J. M.; Hierro, A.; Windl, W.; Brillson, L. J.

    2015-06-01

    We used depth-resolved cathodoluminescence spectroscopy and surface photovoltage spectroscopy to measure the densities, energy levels, and spatial distributions of zinc/magnesium cation and oxygen vacancies in isostructural, single-phase, non-polar Mg{sub x}Zn{sub 1−x}O alloys over a wide (0 ≤ x ≤ 0.56) range. Within this wide range, both defect types exhibit strong Mg content-dependent surface segregation and pronounced bulk density minima corresponding to unit cell volume minima, which can inhibit defect formation due to electrostatic repulsion. Mg in ZnO significantly reduces native defect densities and their non-polar surface segregation, both major factors in carrier transport and doping of these oxide semiconductors.

  6. Coincident vortices in Antarctic wind fields and sea ice motion

    NASA Astrophysics Data System (ADS)

    Wassermann, S.; Schmitt, C.; Kottmeier, C.; Simmonds, I.

    2006-08-01

    This study introduces a method to examine the coincidence of rotational ice drift and winds caused by the forcing of ice motion by Antarctic cyclones. Vortices are automatically detected using the algorithm of Murray and Simmonds (1991) from both ECMWF surface pressures and SSM/I sea ice motions. For compatibility with this algorithm sea ice motion vectors are transformed to a scalar stream function. During a seven-day test period positions of pressure minima and stream function maxima (SFM) of ice drift are within 300 km in 96% of the cases. Lowest pressure minima are related to highest stream function maxima. The results promise the method to provide a complementary tool of detecting and localizing low-pressure systems over sea ice, adding to numerical pressure analyses.

  7. A Theoretical Study of NO2 Complexes with Aluminium and Gallium Based on Topological Analysis of Electron Density and Electron Localization Function

    SciTech Connect

    Panek, Jaroslaw; Latajaka, Zdzislaw

    2000-12-26

    Results of DFT and MP4 calculations on AlNO2 and GaNO2 molecules are presented. One Cs and two C2v structures (two minima and one TS) are found and their energies and vibrational frequencies are reported and discussed. The minima are close in energy and lie ca. 70 kcal mol-1 below reactants (M+NO2). More insight is obtained via topological analysis of electron density and electron localization function (ELF). It is shown that the molecules are bound mainly via electrostatic interactions, and there is a significant charge transfer from metal atom to the NO2 moiety. Detailed analysis of the ELF shows that the loss of stability of gallium complexes with respect to aluminium structures is best explained by (antibonding) influence of gallium semi-cored electrons.

  8. Bottom water export from the western Ross Sea, 2007 through 2010

    NASA Astrophysics Data System (ADS)

    Gordon, Arnold L.; Huber, Bruce A.; Busecke, Julius

    2015-07-01

    Bottom water export from the Ross Sea, February 2007 to January 2011, exhibits seasonal and interannual variability. Temperature minima coupled to salinity maxima in late austral summer, into the fall, indicate input from High-Salinity Shelf Water (HSSW). Secondary temperature minima lacking the high-salinity trait, characteristic of Low-Salinity Shelf Water (LSSW), appear in the spring. Warmer bottom water similar to modified Circumpolar Deep Water (mCDW) is observed in winter and in early summer. The LSSW and mCDW may be drawn from the Drygalski Basin, as the HSSW pool retreats poleward from the shelf break in response to increased winter polar easterlies allowing these less dense overlying waters to spill into the deep ocean within the benthic layer. Bottom salinity decreased from 2007 to 2011 by 0.007 year-1 significantly higher than regional decadal trends, which we propose is a result of HSSW retreat induced by strengthening polar easterlies.

  9. Spin vector and shape of 532 Herculina

    NASA Technical Reports Server (NTRS)

    Kwiatkowski, T.; Michalowski, Tadeusz

    1992-01-01

    Herculina has been observed during 7 oppositions: 1954 (Groeneveld and Kuiper), 1963 (Chang and Chang), 1978 (Harris and Young), 1982 (Drummond et al.; Weidenschilling et al.), 1984 (Taylor et al.), 1985 (Erikson et al.), and 1987 (Lebofsky et al.; Weidenschilling et al.). This asteroid has very unusual lightcurves. They exhibit two maxima and minima in 1978, 1984, and 1987, and only one maximum and minimum in 1954, 1963, and 1982 per rotation cycle of about 9.4 hours. The 1985 lightcurve, which is very close in aspect to those from 1963, shows two maxima and minima. The primary minimum is very similar to a single minimum in 1963, while the secondary one is only 0.06 mag deep. In 1963 no secondary minimum was visible.

  10. Monthly and seasonal occurrences of potential flash flood-producing rains determined from Manually Digitized Radar data

    NASA Technical Reports Server (NTRS)

    Wilson, G. S.

    1980-01-01

    An analysis is conducted of a small 4-year climatological data base of Manually Digitized Radar (MDR) data to infer the monthly and seasonal distributions of the relative frequency of occurrence of potential flash flood-producing rains over the Central and Eastern U.S. Some possible meteorological mechanisms for producing potential flash flooding rains are discussed in terms of the relative maxima and minima in the monthly and seasonal frequency distributions over the MDR network. Frequencies were found to be generally higher in more southern locations and lower farther north in all months and seasons. However, most locations experienced an annual cycle in the frequency of occurrence with maxima in summer and minima in winter. In given seasons and months, local areas of maximum and minimum occurrences may be related to quasi-stationary meteorological processes that trigger and organize intense convection over a common area.

  11. An exploration of the ozone dimer potential energy surface

    SciTech Connect

    Azofra, Luis Miguel; Alkorta, Ibon; Scheiner, Steve

    2014-06-28

    The (O{sub 3}){sub 2} dimer potential energy surface is thoroughly explored at the ab initio CCSD(T) computational level. Five minima are characterized with binding energies between 0.35 and 2.24 kcal/mol. The most stable may be characterized as slipped parallel, with the two O{sub 3} monomers situated in parallel planes. Partitioning of the interaction energy points to dispersion and exchange as the prime contributors to the stability, with varying contributions from electrostatic energy, which is repulsive in one case. Atoms in Molecules analysis of the wavefunction presents specific O⋯O bonding interactions, whose number is related to the overall stability of each dimer. All internal vibrational frequencies are shifted to the red by dimerization, particularly the antisymmetric stretching mode whose shift is as high as 111 cm{sup −1}. In addition to the five minima, 11 higher-order stationary points are identified.

  12. Atlas of reflectance spectra of terrestrial, lunar and meteoritic powders and frosts from 92 to 1800 nm

    NASA Technical Reports Server (NTRS)

    Wagner, Jeffrey; Hapke, Bruce; Wells, Eddie

    1987-01-01

    The reflectance spectra of powdered samples of selected minerals, meteorites, lunar materials and frosts are presented as an aid in the interpretation of present and future remote sensing data of solar system objects. Spectra obtained in separate wavelength regions have been combined and normalized, yielding coverage from 92 to 1800 nm. Spectral features include reflectance maxima in the far UV region produced by valence-conduction interband transitions, and reflectance minima in the near UV, visible and near IR regions, produced by charge transfer and crystal field transitions. Specific maxima and minima are diagnostic of mineral type and composition; additionally, the minerals present in mixtures such as meteorites and lunar samples can be determined.

  13. Global nonresonant vibrational-photoelectron coupling in molecular photoionization

    NASA Astrophysics Data System (ADS)

    Poliakoff, Erwin; Das, Aloke; Hardy, David; Bozek, John; Aguilar, Alex; Lucchese, Robert

    2009-05-01

    Using photoelectron spectroscopy and Schwinger variational scattering theory, we have investigated the coupling between vibrational motion and the exiting photoelectron over extended ranges of photoelectron kinetic energy. Photoelectron spectroscopy is performed with vibrational resolution over uncommonly large ranges of energy (ca. 200 eV). We find clear and significant changes in vibrational branching ratios as a function of photon energy, in direct contradiction to predictions of the Franck-Condon principle. While it is well known that resonances lead to coupling between electronic and vibrational degrees of freedom, nonresonant mechanisms that result in such coupling are not expected or well-documented. Photoelectron spectra are presented for several electronic states of N2^+, CO^+, and NO^+, and we find that valence isoelectronic channels behave very differently, which is also surprising. Theoretical results indicate that Cooper minima are the underlying cause of these effects, and we are currently working to understand the reasons for the sensitivity of the Cooper minima on bond length.

  14. Locating earthquakes in west Texas oil fields using 3-D anisotropic velocity models

    SciTech Connect

    Hua, Fa; Doser, D.; Baker, M. . Dept. of Geological Sciences)

    1993-02-01

    Earthquakes within the War-Wink gas field, Ward County, Texas, that have been located with a 1-D velocity model occur near the edges and top of a naturally occurring overpressured zone. Because the War-Wink field is a structurally controlled anticline with significant velocity anisotropy associated with the overpressured zone and finely layered evaporites, the authors have attempted to re-locate earthquakes using a 3-D anisotropic velocity model. Preliminary results with this model give the unsatisfactory result that many earthquakes previously located at the top of the overpressured zone (3-3.5 km) moved into the evaporites (1-1.5 km) above the field. They believe that this result could be caused by: (1) aliasing the velocity model; or (2) problems in determining the correct location minima when several minima exist. They are currently attempting to determine which of these causes is more likely for the unsatisfactory result observed.

  15. Hue discrimination, unique hues and naming.

    PubMed

    Bachy, Romain; Dias, Jérôme; Alleysson, David; Bonnardel, Valérie

    2012-02-01

    The hue discrimination curve (HDC) that characterizes performances over the entire hue circle was determined by using sinusoidally modulated spectral power distributions of 1.5 c/300 nm with fixed amplitude and twelve reference phases. To investigate relationship between hue discrimination and appearance, observers further performed a free color naming and unique hue tasks. The HDC consistently displayed two minima and two maxima; discrimination is optimal at the yellow/orange and blue/magenta boundaries and pessimal in green and in the extra-spectral magenta colors. A linear model based on Müller zone theory correctly predicts a periodical profile but with a phase-opponency (minima/maxima at 180° apart) which is inconsistent with the empirical HDC's profile.

  16. Methylene blue adsorption on a DMPA lipid langmuir monolayer.

    PubMed

    Giner Casares, Juan José; Camacho, Luis; Martín-Romero, Maria Teresa; López Cascales, José Javier

    2010-07-12

    Adsorption of methylene blue (MB) onto a dimyristoylphosphatidic acid (DMPA) Langmuir air/water monolayer is studied by molecular dynamics (MD) simulations, UV reflection spectroscopy and surface potential measurements. The free-energy profile associated with MB transfer from water to the lipid monolayer shows two minima of -66 and -60 kJ mol(-1) for its solid and gas phase, respectively, corresponding to a spontaneous thermodynamic process. From the position of the free-energy minima, it is possible to predict the precise location of MB in the interior of the DMPA monolayer. Thus, MB is accommodated in the phosphoryl or carbonyl region of the DMPA Langmuir air/water interface, depending on the isomorphic state (solid or gas phase, respectively). Reorientation of MB, measured from the bulk solution to the interior of the lipid monolayer, passes from a random orientation in bulk solution to an orientation parallel to the surface of the lipid monolayer when MB is absorbed.

  17. Molecular dynamics study of the mechanical loss in amorphous pure and doped silica.

    PubMed

    Hamdan, Rashid; Trinastic, Jonathan P; Cheng, H P

    2014-08-07

    Gravitational wave detectors and other precision measurement devices are limited by the thermal noise in the oxide coatings on the mirrors of such devices. We have investigated the mechanical loss in amorphous oxides by calculating the internal friction using classical, atomistic molecular dynamics simulations. We have implemented the trajectory bisection method and the non-local ridge method in the DL-POLY molecular dynamics simulation software to carry out those calculations. These methods have been used to locate the local potential energy minima that a system visits during a molecular dynamics trajectory and the transition state between any two consecutive minima. Using the numerically calculated barrier height distributions, barrier asymmetry distributions, relaxation times, and deformation potentials, we have calculated the internal friction of pure amorphous silica and silica mixed with other oxides. The results for silica compare well with experiment. Finally, we use the numerical calculations to comment on the validity of previously used theoretical assumptions.

  18. Molecular dynamics study of the mechanical loss in amorphous pure and doped silica

    NASA Astrophysics Data System (ADS)

    Hamdan, Rashid; Trinastic, Jonathan P.; Cheng, H. P.

    2014-08-01

    Gravitational wave detectors and other precision measurement devices are limited by the thermal noise in the oxide coatings on the mirrors of such devices. We have investigated the mechanical loss in amorphous oxides by calculating the internal friction using classical, atomistic molecular dynamics simulations. We have implemented the trajectory bisection method and the non-local ridge method in the DL-POLY molecular dynamics simulation software to carry out those calculations. These methods have been used to locate the local potential energy minima that a system visits during a molecular dynamics trajectory and the transition state between any two consecutive minima. Using the numerically calculated barrier height distributions, barrier asymmetry distributions, relaxation times, and deformation potentials, we have calculated the internal friction of pure amorphous silica and silica mixed with other oxides. The results for silica compare well with experiment. Finally, we use the numerical calculations to comment on the validity of previously used theoretical assumptions.

  19. Exploring Neutrino Oscillation Parameter Space with a Monte Carlo Algorithm

    NASA Astrophysics Data System (ADS)

    Espejel, Hugo; Ernst, David; Cogswell, Bernadette; Latimer, David

    2015-04-01

    The χ2 (or likelihood) function for a global analysis of neutrino oscillation data is first calculated as a function of the neutrino mixing parameters. A computational challenge is to obtain the minima or the allowed regions for the mixing parameters. The conventional approach is to calculate the χ2 (or likelihood) function on a grid for a large number of points, and then marginalize over the likelihood function. As the number of parameters increases with the number of neutrinos, making the calculation numerically efficient becomes necessary. We implement a new Monte Carlo algorithm (D. Foreman-Mackey, D. W. Hogg, D. Lang and J. Goodman, Publications of the Astronomical Society of the Pacific, 125 306 (2013)) to determine its computational efficiency at finding the minima and allowed regions. We examine a realistic example to compare the historical and the new methods.

  20. Coronene molecules in helium clusters: Quantum and classical studies of energies and configurations

    SciTech Connect

    Rodríguez-Cantano, Rocío; Pérez de Tudela, Ricardo; Bartolomei, Massimiliano; Hernández, Marta I.; Campos-Martínez, José; González-Lezana, Tomás Villarreal, Pablo; Hernández-Rojas, Javier; Bretón, José

    2015-12-14

    Coronene-doped helium clusters have been studied by means of classical and quantum mechanical (QM) methods using a recently developed He–C{sub 24}H{sub 12} global potential based on the use of optimized atom-bond improved Lennard-Jones functions. Equilibrium energies and geometries at global and local minima for systems with up to 69 He atoms were calculated by means of an evolutive algorithm and a basin-hopping approach and compared with results from path integral Monte Carlo (PIMC) calculations at 2 K. A detailed analysis performed for the smallest sizes shows that the precise localization of the He atoms forming the first solvation layer over the molecular substrate is affected by differences between relative potential minima. The comparison of the PIMC results with the predictions from the classical approaches and with diffusion Monte Carlo results allows to examine the importance of both the QM and thermal effects.

  1. Multiple quantum magic-angle spinning using rotary resonance excitation

    NASA Astrophysics Data System (ADS)

    Vosegaard, Thomas; Florian, Pierre; Massiot, Dominique; Grandinetti, Philip J.

    2001-03-01

    We have discovered rotary resonances between rf field strength, ω1, and magic-angle spinning (MAS) frequency, ωR, which dramatically enhance the sensitivity of triple quantum preparation and mixing in the multiple-quantum MAS experiment, particularly for quadrupolar nuclei having low gyromagnetic ratios or experiencing strong quadrupole couplings. Triple quantum excitation efficiency minima occur when 2ω1=nωR, where n is an integer, with significant maxima occurring between these minima. For triple quantum mixing we observe maxima when ω1=nωR. In both preparation and mixing the pulse lengths required to reach maxima exceed one rotor period. We have combined these rotary resonance conditions into a new experiment called FASTER MQ-MAS, and have experimentally demonstrated a factor of 3 enhancement in sensitivity in comparison to conventional MQ-MAS.

  2. Rotation Period Determination for 254 Augusta, 465 Alekto 477 Italia, 515 Athalia, and 1061 Paeonia

    NASA Astrophysics Data System (ADS)

    Pilcher, Frederick

    2015-04-01

    Synodic rotation periods and amplitudes have been found for 254 Augusta 5.8949 ± 0.0001 hours, 0.75 to 0.58 magnitudes; 465 Alekto, 10.936 ± 0.001 hours, 0.14 ± 0.02 magnitudes with 3 maxima and minima per cycle; 477 Italia 19.413 ± 0.001 hours, 0.20 to 0.15 magnitudes with 3 very unequal maxima and minima per cycle; 515 Athalia 10.636 ± 0.001 hours, 0.21 ± 0.02 magnitudes; and 1061 Paeonia, 7.9971 ± 0.0001 hours, 1.00 ± 0.05 magnitudes.

  3. A Period Study of the Close Binary V508 Ophiuchi

    NASA Astrophysics Data System (ADS)

    Albayrak, Berahitdin

    The short-period (0d.34) close binary V508 Oph was observed in 2005 and four new times of minima were derived. All of the available times of minima, including the new ones, covering 69 years were analyzed. It was shown that the period change of the system is very complex. Two possible period oscillations with periods of 24.73 and 9.91 years and amplitudes of about 0.011 and 0.002 day, respectively, were found to superimpose on upward parabolic change, indicating a secular period increase at a rate of dp/dt = 4.24 × 10-9 days yr-1. The mechanisms that could explain the period changes of the system are discussed.

  4. Dynamical evolution of domain walls in an expanding universe

    NASA Technical Reports Server (NTRS)

    Press, William H.; Ryden, Barbara S.; Spergel, David N.

    1989-01-01

    Whenever the potential of a scalar field has two or more separated, degenerate minima, domain walls form as the universe cools. The evolution of the resulting network of domain walls is calculated for the case of two potential minima in two and three dimensions, including wall annihilation, crossing, and reconnection effects. The nature of the evolution is found to be largely independent of the rate at which the universe expands. Wall annihilation and reconnection occur almost as fast as causality allows, so that the horizon volume is 'swept clean' and contains, at any time, only about one, fairly smooth, wall. Quantitative statistics are given. The total area of wall per volume decreases as the first power of time. The relative slowness of the decrease and the smoothness of the wall on the horizon scale make it impossible for walls to both generate large-scale structure and be consistent with quadrupole microwave background anisotropy limits.

  5. Real-time obstacle avoidance using harmonic potential functions

    NASA Technical Reports Server (NTRS)

    Kim, Jin-Oh; Khosla, Pradeep K.

    1992-01-01

    This paper presents a new formulation of the artificial potential approach to the obstacle avoidance problem for a mobile robot or a manipulator in a known environment. Previous formulations of artificial potentials for obstacle avoidance have exhibited local minima in a cluttered environment. To build an artificial potential field, harmonic functions that completely eliminate local minima even for a cluttered environment are used. The panel method is employed to represent arbitrarily shaped obstacles and to derive the potential over the whole space. Based on this potential function, an elegant control strategy is proposed for the real-time control of a robot. The harmonic potential, the panel method, and the control strategy are tested with a bar-shaped mobile robot and a three-degree-of-freedom planar redundant manipulator.

  6. Cross-flow vortex structure and transition measurements using multi-element hot films

    NASA Technical Reports Server (NTRS)

    Agarwal, Naval K.; Mangalam, Siva M.; Maddalon, Dal V.; Collier, Fayette S., Jr.

    1991-01-01

    An experiment on a 45-degree swept wing was conducted to study three-dimensional boundary-layer characteristics using surface-mounted, micro-thin, multi-element hot-film sensors. Cross-flow vortex structure and boundary-layer transition were measured from the simultaneously acquired signals of the hot films. Spanwise variation of the root-mean-square (RMS) hot-film signal show a local minima and maxima. The distance between two minima corresponds to the stationary cross-flow vortex wavelength and agrees with naphthalene flow-visualization results. The chordwise and spanwise variation of amplified traveling (nonstationary) cross-flow disturbance characteristics were measured as Reynolds number was varied. The frequency of the most amplified cross-flow disturbances agrees with linear stability theory.

  7. Features of the kinetics of electrical damage of polymers

    NASA Astrophysics Data System (ADS)

    Slutsker, A. I.; Veliev, T. M.; Alieva, I. K.; Alekperov, V. A.; Polikarpov, Yu. I.; Karov, D. D.

    2016-09-01

    The kinetics of electrical damage (breakdown) of polymer films 20-50 μm thick in a constant-sign field of 0.5-0.6 GV/m at 77-300 K has been studied. At elevated temperatures (250-300 K), the exponential temperature dependence of the durability and the above-barrier thermal-fluctuation mechanism of electron emission from traps, i.e., space charge accumulation leading to breakdown, take place. At low temperatures (77-200 K), there are separate local decreases in the durability (minima) at the athermal durability level. The identity of the temperatures of durability minima and measured thermoluminescence maxima of polymers was found. A conclusion is made about the mechanism of thermally stimulated tunneling (subbarrier emission) of electrons from traps.

  8. Modeling of the dielectrophoretic conveyer-belt assembling microparticles into large-scale structures

    NASA Astrophysics Data System (ADS)

    Khusid, Boris; Jacqmin, David; Kumar, Anil; Acrivos, Andreas

    2007-11-01

    A dielectrophoretic conveyor-belt method for assembling negatively polarized microparticles into large-scale structures was recently developed (APL 90, 154104, 2007). To do this, first, an array of microelectrodes is energized to generate a spatially periodic AC electric field that causes the particles to aggregate into boluses in positions of the field intensity- minima, which are located mid-way along the height of the channel. The minima and their associated boluses are then moved by periodically grounding and energizing the electrode array so as to generate an electrical field moving along the electrode array. We simulate this experiment numerically via a two- dimensional electro-hydrodynamic model (PRE 69, 021402, 2004). The numerical results are in qualitative agreement with experiments in that they show similar particle aggregation rates, bolus sizes and bolus transport speeds.

  9. Phase retrapping in a φ Josephson junction: Onset of the butterfly effect

    NASA Astrophysics Data System (ADS)

    Menditto, R.; Sickinger, H.; Weides, M.; Kohlstedt, H.; Žonda, M.; Novotný, T.; Koelle, D.; Kleiner, R.; Goldobin, E.

    2016-05-01

    We investigate experimentally the retrapping of the phase in a φ Josephson junction upon return of the junction to the zero-voltage state. Since the Josephson energy profile U0(ψ ) in φ JJ is a 2 π periodic double-well potential with minima at ψ =±φ mod2 π , the question is at which of the two minima -φ or +φ the phase will be trapped upon return from a finite voltage state during quasistatic decrease of the bias current (tilt of the potential). By measuring the relative population of two peaks in escape histograms, we determine the probability of phase trapping in the ±φ wells for different temperatures. Our experimental results agree qualitatively with theoretical predictions. In particular, we observe an onset of the butterfly effect with an oscillating probability of trapping. Unexpectedly, this probability saturates at a value different from 50% at low temperatures.

  10. Comments on "A robust fuzzy local information C-means clustering algorithm".

    PubMed

    Celik, Turgay; Lee, Hwee Kuan

    2013-03-01

    In a recent paper, Krinidis and Chatzis proposed a variation of fuzzy c-means algorithm for image clustering. The local spatial and gray-level information are incorporated in a fuzzy way through an energy function. The local minimizers of the designed energy function to obtain the fuzzy membership of each pixel and cluster centers are proposed. In this paper, it is shown that the local minimizers of Krinidis and Chatzis to obtain the fuzzy membership and the cluster centers in an iterative manner are not exclusively solutions for true local minimizers of their designed energy function. Thus, the local minimizers of Krinidis and Chatzis do not converge to the correct local minima of the designed energy function not because of tackling to the local minima, but because of the design of energy function.

  11. DFT and CCSD(T) study of the AH3- (A = Al, Ga) isomerization, [Ga2(μ-H)(μ-H2)]- and [Ga2(μ-H3)]- unprecedented hydrido-bimetallic structures

    NASA Astrophysics Data System (ADS)

    Guermoune, Abdeladim; Jarid, Abdellah

    2007-03-01

    Total potential energy surfaces (PES) are scanned in order to study the isomerization of the AH3- (A = Al, Ga) anions. AlH3- PES is characterized by six minima and seven transition structures which are connectable with themselves. Indeed of these 12 same extrema, the GaH3- PES has three other minima and four TSs. These structures exhibit an activated H 2 molecule in one or both Ga atoms coordination sphere where the Ga atom seems imply its metallic character via its occupied d-orbital. We have also localized two unusual structures: a minimum having M 2(μ-H)(μ-H 2)-like structure and a transition with M 2(μ-H 3)-like arrangement where the H 3 entity is coordinated to both Ga atoms. The connectivity of all these extrema brings to the fore an eventual fluxional behaviour of these compounds.

  12. The analysis of temporal variations in regional models of the Sargasso Sea from GEOS-3 altimetry

    NASA Technical Reports Server (NTRS)

    Mather, R. S.; Coleman, R.; Hirsch, B.

    1978-01-01

    The dense coverage of short pulse mode GEOS-3 altimeter data in the western North Atlantic provides a basis for studying time variations in the sea surface heights in the Sargasso Sea. Two techniques are utilized: the method of regional models, and the analysis of overlapping passes. An 88 percent correlation is obtained between the location of cyclonic eddies obtained from infrared imagery and sea surface height minima in the altimeter models. This figure drops to 59 percent in the case of correlations with maxima and minima of surface temperature fields. The analysis of overlapping passes provides a better picture of instantaneous sea state through wavelengths greater than 30 km. The variability of the Sargasso Sea through wavelengths between 150 km and 5000 km is estimated at + or - 28 cm. This value is in reasonable agreement with oceanographic estimates and is compatible with the eddy kinetic energy of a wind driven circulation.

  13. Exchange and polarization effect in high-order harmonic imaging of molecular structures

    SciTech Connect

    Sukiasyan, Suren; Ivanov, Misha Yu.; Patchkovskii, Serguei; Smirnova, Olga; Brabec, Thomas

    2010-10-15

    We analyze the importance of exchange, polarization, and electron-electron correlation in high-order harmonic generation in molecules interacting with intense laser fields. We find that electron exchange can become particularly important for harmonic emission associated with intermediate excitations in the molecular ion. In particular, for orbitals associated with two-hole one-particle excitations, exchange effects can eliminate structure-related minima and maxima in the harmonic spectra. Laser-induced polarization of the neutral molecule may also have major effects on orbital structure-related minima and maxima in the harmonic spectra. Finally, we show how exchange terms in recombination can be viewed as a shakedownlike process induced by sudden electronic excitation in the ion.

  14. Saddles of the energy landscape and folding of model proteins

    NASA Astrophysics Data System (ADS)

    Angelani, L.; Ruocco, G.

    2009-07-01

    We numerically investigate the Potential Energy Landscape of an off-lattice β-sheet model protein, looking at saddles and minima probed by the system during the folding process. G {\\bar o} - like (with native-state-dependent force field and funnel-like landscape) and non-G {\\bar o} -like models are considered. In the G {\\bar o} -like case, on varying the temperature, we observe: i) a pronounced peak at the collapse/folding temperature T θsimeTf in the energy elevation of visited saddles from underlying minima, ii) a crossover at the same point of the saddle order. Saddles-based quantities seem then to be good candidates as indicators of the funneled shape of the landscape in protein models.

  15. Low-energy electron elastic scattering cross sections for excited Au and Pt atoms

    NASA Astrophysics Data System (ADS)

    Felfli, Zineb; Eure, Amanda R.; Msezane, Alfred Z.; Sokolovski, Dmitri

    2010-05-01

    Electron elastic total cross sections (TCSs) and differential cross sections (DCSs) in both impact energy and scattering angle for the excited Au and Pt atoms are calculated in the electron impact energy range 0 ⩽ E ⩽ 4.0 eV. The cross sections are found to be characterized by very sharp long-lived resonances whose positions are identified with the binding energies of the excited anions formed during the collisions. The recent novel Regge-pole methodology wherein is embedded through the Mulholland formula the electron-electron correlations is used together with a Thomas-Fermi type potential incorporating the crucial core-polarization interaction for the calculations of the TCSs. The DCSs are evaluated using a partial wave expansion. The Ramsauer-Townsend minima, the shape resonances and the binding energies of the excited Au - and Pt - anions are extracted from the cross sections, while the critical minima are determined from the DCSs.

  16. Development of sunspot cycle 24 past its peak in 2013

    NASA Astrophysics Data System (ADS)

    Ahluwalia, H. S.

    The smooth sunspot numbers for cycle 24 have been increasing slowly since its onset in December 2008. As per our prediction, cycle 24 reached its peak (smooth) sunspot numbers in May 2013 and is only half as active as cycle 23; it lingered near its peak while the polarity of the magnetic field at solar poles reversed over a period of more than a year; its descent toward the minimum has set in. We report on the present status of the descending phase of cycle 24 and compare its timeline with those of the previous ten cycles (14-23) of the twentieth century, with particular emphasis on those of cycles 5 and 14 that led to the start of two recent grand minima, namely the Dalton and the Gleissberg minima respectively. The implications for cycle 25 and 26 are discussed.

  17. Design of a Kagome lattice from soft anisotropic particles.

    PubMed

    Fejer, Szilard N; Wales, David J

    2015-09-07

    We present a simple model of triblock Janus particles based on discoidal building blocks, which can form energetically stabilized Kagome structures. We find 'magic number' global minima in small clusters whenever particle numbers are compatible with a perfect Kagome structure, without constraining the accessible three-dimensional configuration space. The preference for planar structures with two bonds per patch among all other possible minima on the landscape is enhanced when sedimentation forces are included. For the building blocks in question, structures containing three bonds per patch become progressively higher in energy compared to Kagome structures as sedimentation forces increase. Rearrangements between competing structures, as well as ring formation mechanisms are characterised and found to be highly cooperative.

  18. Comfort improvement of a nonlinear suspension using global optimization and in situ measurements

    NASA Astrophysics Data System (ADS)

    Deprez, K.; Moshou, D.; Ramon, H.

    2005-06-01

    The health problems encountered by operators of off-road vehicles demonstrate that a lot of effort still has to be put into the design of effective seat and cabin suspensions. Owing to the nonlinear nature of the suspensions and the use of in situ measurements for the optimization, classical local optimization techniques are prone to getting stuck in local minima. Therefore this paper develops a method for optimizing nonlinear suspension systems based on in situ measurements, using the global optimization technique DIRECT to avoid local minima. Evaluation of the comfort improvement of the suspension was carried out using the objective comfort parameters used in standards. As a test case, the optimization of a hydropneumatic element that can serve as part of a cabin suspension for off-road machinery was performed.

  19. Quasicompactons in inverted nonlinear photonic crystals

    SciTech Connect

    Li Yongyao; Malomed, Boris A.; Wu Jianxiong; Pang Wei; Wang Sicong; Zhou Jianying

    2011-10-15

    We study large-amplitude one-dimensional solitary waves in photonic crystals featuring competition between linear and nonlinear lattices, with minima of the linear potential coinciding with maxima of the nonlinear pseudopotential, and vice versa (inverted nonlinear photonic crystals, INPCs), in the case of the saturable self-focusing nonlinearity. Such crystals were recently fabricated using a mixture of SU-8 and Rhodamine-B optical materials. By means of numerical methods and analytical approximations, we find that large-amplitude solitons are broad sharply localized stable pulses (quasicompactons, QCs). With the increase of the total power, P, the QC's centroid performs multiple switchings between minima and maxima of the linear potential. Unlike cubic INPCs, the large-amplitude solitons are mobile in the medium with the saturable nonlinearity. The threshold value of the kick necessary to set the soliton in motion is found as a function of P. Collisions between moving QCs are considered too.

  20. The Maunder minimum as a secular minimum with non-stopped Sunspot cyclicity

    NASA Astrophysics Data System (ADS)

    Zolotova, N. V.; Ponyavin, D. I.

    2016-12-01

    One of the most enigmatic features of the solar history is the Maunder minimum (1645-1715). We compare the scatter of amplitudes of the 11-year cycles, according to the new Sunspot Number and Sunspot Group series version 2.0, along with scenario of the Maunder minimum as a period with non-stopped cyclicity. We demonstrate that both amplitude and duration of cycles after the Gleissberg and Maunder minima are similar. Moreover, times of minima and maxima of cycles in the course the Maunder minimum coincide with those during the Gleissberg one, indicating a secular variation. Usefulness of the proxy data within the Maunder minimum is discussed. The scatter of amplitudes and duration of the Schwabe cycles in the past is argued to be comparable with those in the modern epoch.

  1. 500,000-year stable carbon isotopic record from Devils Hole, Nevada

    USGS Publications Warehouse

    Coplen, T.B.; Winograd, I.J.; Landwehr, J.M.; Riggs, A.C.

    1994-01-01

    The record of carbon-13 (??13C) variations in DH-11 vein calcite core from Devils Hole, Nevada, shows four prominent minima near glacial terminations (glacial-interglacial transitions) V to II. The ??13C time series is inversely correlated with the DH-11 oxygen isotope ratio time series and leads it by as much as 7000 years. The ??13C variations likely record fluctuations in the ??13C of dissolved inorganic carbon of water recharging the aquifer. How such variations are transported 80 kilometers to Devils Hole without obliteration by waterrock reaction remains an enigma. The record may reflect (i) global variations in the ??13C of atmospheric CO2 and, hence, the ??13C of continental biomass or (ii) variations in extent and density of vegetation in the southern Great Basin. In the latter case, ??13C minima at 414, 334, 246, and 133 thousand years ago mark times of maximum vegetation.

  2. Alien Genetic Algorithm for Exploration of Search Space

    NASA Astrophysics Data System (ADS)

    Patel, Narendra; Padhiyar, Nitin

    2010-10-01

    Genetic Algorithm (GA) is a widely accepted population based stochastic optimization technique used for single and multi objective optimization problems. Various versions of modifications in GA have been proposed in last three decades mainly addressing two issues, namely increasing convergence rate and increasing probability of global minima. While both these. While addressing the first issue, GA tends to converge to a local optima and addressing the second issue corresponds the large computational efforts. Thus, to reduce the contradictory effects of these two aspects, we propose a modification in GA by adding an alien member in the population at every generation. Addition of an Alien member in the current population at every generation increases the probability of obtaining global minima at the same time maintaining higher convergence rate. With two test cases, we have demonstrated the efficacy of the proposed GA by comparing with the conventional GA.

  3. Energies of the X- and L-valleys in In{sub 0.53}Ga{sub 0.47}As from electronic structure calculations

    SciTech Connect

    Greene-Diniz, Gabriel; Greer, J. C.; Fischetti, M. V.

    2016-02-07

    Several theoretical electronic structure methods are applied to study the relative energies of the minima of the X- and L-conduction-band satellite valleys of In{sub x}Ga{sub 1−x}As with x = 0.53. This III-V semiconductor is a contender as a replacement for silicon in high-performance n-type metal-oxide-semiconductor transistors. The energy of the low-lying valleys relative to the conduction-band edge governs the population of channel carriers as the transistor is brought into inversion, hence determining current drive and switching properties at gate voltages above threshold. The calculations indicate that the position of the L- and X-valley minima are ∼1 eV and ∼1.2 eV, respectively, higher in energy with respect to the conduction-band minimum at the Γ-point.

  4. Periodicity in orientation discrimination and the unconfounding of visual information.

    PubMed

    Regan, D; Price, P

    1986-01-01

    Orientation discrimination is a periodic function of mean orientation. Discrimination sensitivity (i.e. threshold-1) was measured at 7.5 deg increments around the clock for an 8 c/deg grating subtending 1.0 deg dia located 1.25 deg from the foveal centre. Discrimination sensitivity was best for horizontal and vertical orientations, but did not fall monotonically to minima at 45 deg and 135 deg. Instead it fell precipitously to minima at angles of only 20 deg to the horizontal and vertical, and there was a weak submaximum near 45 deg. This finding is consistent with the proposal that orientation discrimination is determined by the relative activity of broadly-tuned, orientation-sensitive neural elements, and that only a small number of elements are effective in any small retinal region. This idea can also explain why subjects do not confound a change of orientation with a simultaneous change of contrast or spatial frequency.

  5. A Novel Hybrid Statistical Particle Swarm Optimization for Multimodal Functions and Frequency Control of Hybrid Wind-Solar System

    NASA Astrophysics Data System (ADS)

    Verma, Harish Kumar; Jain, Cheshta

    2016-09-01

    In this article, a hybrid algorithm of particle swarm optimization (PSO) with statistical parameter (HSPSO) is proposed. Basic PSO for shifted multimodal problems have low searching precision due to falling into a number of local minima. The proposed approach uses statistical characteristics to update the velocity of the particle to avoid local minima and help particles to search global optimum with improved convergence. The performance of the newly developed algorithm is verified using various standard multimodal, multivariable, shifted hybrid composition benchmark problems. Further, the comparative analysis of HSPSO with variants of PSO is tested to control frequency of hybrid renewable energy system which comprises solar system, wind system, diesel generator, aqua electrolyzer and ultra capacitor. A significant improvement in convergence characteristic of HSPSO algorithm over other variants of PSO is observed in solving benchmark optimization and renewable hybrid system problems.

  6. Some possible filler alloys with low vapor pressures for refractory-metal brazing

    NASA Technical Reports Server (NTRS)

    Morris, J. F.

    1973-01-01

    A compilation of eutectics and melting-point minima for binary combinations of metals having vapor pressures below 10 to the minus 10th power torr at 1500 degrees K and .00005 torr at 2000 degree K is presented. These compositions and others near them on their phase diagrams are potential special brazing fillers for refractory metals. Some possible problems and advantages for fusion bonds of such mixtures are indicated. Evaluations of brazing fillers containing refractory metals are reported.

  7. Electrostatic Discharge Properties of Irradiated Nanocomposites

    DTIC Science & Technology

    2009-03-01

    to and following a 35-year simulated space radiation life -cycle. Select electrical properties of nickel nanostrandTM-carbon composites in seven...in composite based external surfaces is thus becoming increasingly critical to designing long- life spacecraft capable of adequately safeguarding...adaptive search techniques used to find solutions to complex equations involving a large search space often populated with multiple local minima and

  8. The triple system KR Comae Berenices

    NASA Astrophysics Data System (ADS)

    Zasche, P.; Uhlář, R.

    2010-09-01

    Aims: We present the detailed analysis of triple system KR Com with different observational techniques - photometry, interferometry, and period variation. Methods: The use of BVR photometry of the close-contact binary KR Com, which is the primary component of a triple system, helps us to better describe the properties of the components. The interferometric data obtained during the last 30 years sufficiently determine the visual orbit, but the use of minima timings of KR Com for the study of period variation together with the visual orbit is a novel approach in this system. Results: Basic physical parameters resulting from the light curve analysis agree well with the previous results from spectroscopy. The temperatures for the primary and secondary component resulted in 5549 and 6072 K, respectively, and the amount of the third light in all filters is about 1/3 of the total luminosity. The distant third component revolves around the common barycenter on 11 yr orbit with a very high eccentricity (0.934) and this movement is also detectable via the period variation, which is clearly visible in the O-C diagram of times of minima observations. The use of minima times for the combined analysis helps us to independently determine the distance to the system (64.02 ± 9.42 pc) and also to confirm the orientation of the orbit in space. Conclusions: New minima observations and also spectroscopy would be very profitable, especially during the next periastron passage in the year 2017. Photometric tables are only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/519/A78

  9. Training product unit neural networks with genetic algorithms

    NASA Technical Reports Server (NTRS)

    Janson, D. J.; Frenzel, J. F.; Thelen, D. C.

    1991-01-01

    The training of product neural networks using genetic algorithms is discussed. Two unusual neural network techniques are combined; product units are employed instead of the traditional summing units and genetic algorithms train the network rather than backpropagation. As an example, a neural netork is trained to calculate the optimum width of transistors in a CMOS switch. It is shown how local minima affect the performance of a genetic algorithm, and one method of overcoming this is presented.

  10. Photoluminescence Detected Doublet Structure in the Integer and Fractional Quantum Hall Regime

    SciTech Connect

    Kim, Yongmin; Munteanu, F.M.; Perry, C.H.; Reno, J.L.; Rickel, D.G.; Simmons, J.A.

    1999-05-25

    We present here the results of polarized magneto-photoluminescence measurements on a high mobility single-heterojunction. The presence of a doublet structure over a large magnetic field range (2>v>l/6) is interpreted as possible evidence for the existence of a magneto-roton minima of the charged density waves. This is understood as an indication of strong electronic correlation even in the case of the IQHE limit.

  11. Variational PDE Models in Image Processing

    DTIC Science & Technology

    2002-07-31

    locate the local or global minima by the gradient descent method. Some of the PDEs can be studied by the viscosity solution approach [24], while many...for smooth functions [31].) This elastica prior model was first studied for inpainting by Masnou and Morel [35], and Chan, Kang, and Shen [11], and...Mumford-Shah inpainting models can be studied in a fashion similar to the classi- cal restoration and segmentation problems. But theoretical study on the

  12. Copernicus spectra of beta Lyrae. [in far UV

    NASA Technical Reports Server (NTRS)

    Hack, M.; Hutchings, J. B.; Kondo, Y.; Mccluskey, G. E.; Plavec, M.; Polidan, R. S.

    1974-01-01

    The observations reported were made in August and September 1973. The principal data were scans in the low resolution mode at phases nearly coincident with the two light minima. Shorter scans were obtained at the two quadrature phases. The data show that the secondary component of beta Lyrae is a hotter object than the visible B8 star. The velocity amplitude of the lines suggests that the secondary is the more massive object, by a factor of several times.

  13. INTERACTION OF LASER RADIATION WITH MATTER. LASER PLASMA: Transient laser-induced thermochemical processes on metal surfaces and their visualisation with a laser image amplifier

    NASA Astrophysics Data System (ADS)

    Prokoshev, V. G.; Galkin, A. F.; Klimovskii, Ivan I.; Danilov, S. Yu; Abramov, D. V.; Arakelyan, S. M.

    1998-04-01

    Laser oxidation of metals and alloys (steel, copper, brass, titanium, etc.) was investigated with a laser image amplifier based on a Cu laser making use of computer image processing. A method was developed for measuring the growth of an oxide film by recording the motion of interference minima (maxima) of the reflectivity for copper laser radiation when the oxide distribution was nonuniform. The results were compared with theoretical models.

  14. Cloud supersaturations and the Hoppel minimum

    NASA Astrophysics Data System (ADS)

    Hudson, J. G.; Noble, S.

    2012-12-01

    Hudson et al. (2010; H10) showed higher supersaturations (S > 0.3%) than conventional wisdom for stratus clouds. Bimodal dry particle size distributions often found below stratus have been a reason for previous low stratus cloud S estimates. The Desert Research Institute (DRI) CCN spectrometers (Fig. 1) provide more direct estimates of cloud S because they do not need to assume particle composition. These S estimates from minima of Sc distributions are correlated (Fig. 2) with estimates that match CCN spectra with mean cloud droplet concentrations (Nc; H10). Although these CCN Hoppel S are higher than earlier Hoppel S estimates, they are lower (mean 0.37%) than S from CCN spectral matches (H10) (mean 0.48%) (Fig. 2). These S discrepancies could be due to later evaporation of small droplets, which causes and could be related to less participation of small droplets in processes that decrease CCN critical S (Sc). These chemical (gas-to-particle conversion; e.g., sulfate) and physical (coalescence and Brownian capture) processes produce Hoppel minima. The DRI spectrometers have not only observed Hoppel minima in stratus (POST) but also below RICO small cumuli. As expected both estimates of RICO cloud S were higher than POST since vertical wind is higher in cumuli. The same S discrepancy between methods was found in RICO. The S discrepancy and the fact that Nc are well correlated with CCN concentrations suggests a more homogeneous evaporation process so that CCN that experience increased Sc that result in Hoppel minima tend to be only those with initially very low Sc. Accurate stratus cloud S estimates are needed to determine the anthropogenic particles that cause the aerosol indirect effect. Hudson, J.G., S. Noble and V. Jha, 2010: Geophys. Res. Lett., 37, L21813, doi:10.1029/2010GL045197. Fig. 1. Differential S distribution in stratus. Fig. 2. Comparison of S estimates in stratus

  15. Plurality of inherent states in equiatomic solid solutions

    NASA Astrophysics Data System (ADS)

    Demkowicz, M. J.

    2017-03-01

    We show that single-crystal, equiatomic solid solutions of Lennard-Jones particles have a plurality of inherent states: mechanically stable configurations with identical lattice site occupancies, yet distinct potential-energy minima. External loading triggers transitions between inherent states via localized shear transformations. A plurality of inherent states and mechanically activated transitions between them make equiatomic solid solutions an unusual form of matter: one that is crystalline like single-component metals, yet exhibits localized shear transformations like metallic glasses.

  16. Bacterial Luciferase: Determination of the Structure by X-Ray Diffraction

    DTIC Science & Technology

    1994-05-20

    protein , since it permits distinction between (first- in the refolding mixture and varying the time of refolding order) folding processes of the...We propose that the active confomation of this protein is at only one of several possible energy minima, and that during the process of refolding In... evaluation of the effects of protein - protein interactions on the structures of the individual subunits involved in the oligomer. 2. We performed

  17. D3h [A-CE3-A]- (E = Al and Ga, A = Si, Ge, Sn, and Pb): A new class of hexatomic mono-anionic species with trigonal bipyramidal carbon

    NASA Astrophysics Data System (ADS)

    Wu, Yan-Bo; Li, Yan-Qin; Bai, Hui; Lu, Hai-Gang; Li, Si-Dian; Zhai, Hua-Jin; Wang, Zhi-Xiang

    2014-03-01

    The non-classical trigonal bipyramidal carbon (TBPC) arrangement generally exists as transition states (TSs) in nucleophilic bimolecular substitution (SN2) reactions. Nevertheless, chemists have been curious about whether such a carbon bonding could be stable in equilibrium structures for decades. As the TBPC arrangement was normally realized as cationic species theoretically and experimentally, only one anionic example ([At-C(CN)3-At]-) was computationally devised. Herein, we report the design of a new class of anionic TBPC species by using the strategy similar to that for stabilizing the non-classical planar hypercoordinate carbon. When electron deficient Al and Ga were used as the equatorial ligands, eight D3h [A-CE3-A]- (E = Al and Ga, A = Si, Ge, Sn, and Pb) TBPC structures were found to be the energy minima rather than TSs at both the B3LYP and MP2 levels. Remarkably, the energetic results at the CCSD(T) optimization level further identify [Ge-CAl3-Ge]- and [Sn-CGa3-Sn]- even to be the global minima and [Si-CAl3-Si]- and [Ge-CGa3-Ge]- to be the local minima, only slightly higher than their global minima. The electronic structure analyses reveal that the substantial ionic C-E bonding, the peripheral E-A covalent bonding, and the axial mc-2e (multi center-two electrons) bonding play roles in stabilizing these TBPC structures. The structural simplicity and the high thermodynamic stability suggest that some of these species may be generated and captured in the gas phase. Furthermore, as mono-anionic species, their first vertical detachment energies are differentiable from those of their nearest isomers, which would facilitate their characterization via experiments such as the negative ion photoelectron spectroscopy.

  18. Ring-whizzing in polyene-PtL2 complexes revisited

    PubMed Central

    Oloba-Whenu, Oluwakemi A; Soubra-Ghaoui, Chirine

    2016-01-01

    Summary Ring-whizzing was investigated by hybrid DFT methods in a number of polyene–Pt(diphosphinylethane) complexes. The polyenes included cyclopropenium+, cyclobutadiene, cyclopentadienyl+, hexafluorobenzene, cycloheptatrienyl+, cyclooctatetraene, octafluorooctatetraene, 6-radialene, pentalene, phenalenium+, naphthalene and octafluoronaphthalene. The HOMO of a d10 ML2 group (with b2 symmetry) interacting with the LUMO of the polyene was used as a model to explain the occurrence of minima and maxima on the potential energy surface. PMID:27559391

  19. Gürsey's chiral model and its modifications

    NASA Astrophysics Data System (ADS)

    Sanyuk, Valerii I.

    Up to date available results on the theory of critical points for (3 +1)-dimensional G-invariant functionals, occurring in nontrivial topological modifications of Gürsey's α-model, are listed. In particular we deal with the Skyrme model and the ñ-field (or Faddeev) model and their gauge generalizations. It is shown that these functionals are bounded from below and attain their minima in the classes of G-invariant fields, namely on hedgehog or toron configurations.

  20. Vortices Associated with the Wave Function of a Single Electron Emitted in Slow Ion-Atom Collisions

    NASA Astrophysics Data System (ADS)

    Schmidt, L. Ph. H.; Goihl, C.; Metz, D.; Schmidt-Böcking, H.; Dörner, R.; Ovchinnikov, S. Yu.; Macek, J. H.; Schultz, D. R.

    2014-02-01

    We present measurements and calculations of the momentum distribution of electrons emitted during the ion-atom collision 10 keV/u He2++He→He++He2++e-, which show rich structures for ion scattering angles above 2 mrad arising dominantly from two-electron states. Our calculations reveal that minima in the measured distributions are zeros in the electronic probability density resulting from vortices in the electronic current.

  1. Third body effects in the period changes of two Algol binaries: V342 Aql and TW Lac

    NASA Astrophysics Data System (ADS)

    Ćiçek, C.; Bulut, I.; Bulut, A.

    2017-02-01

    The O - C diagrams of two Algol-type eclipsing binaries V342 Aql and TW Lac have been analyzed with the least-squares method by using all available minima times. The period changes in their O - C diagrams have been discussed with respect to the Light-Time Effect (LITE) that originates from gravitational influence of a third body. New LITE elements, orbital periods and possible minimum masses of third bodies are given.

  2. Anticonical anchoring and surface transitions in a nematic liquid crystal.

    PubMed

    Faget, L; Lamarque-Forget, S; Martinot-Lagarde, Ph; Auroy, P; Dozov, I

    2006-11-01

    Recent works reported planar and conical azimuthally degenerated nematic anchorings. Here we predict an additional "anticonical" degenerated anchoring. Its energy presents two minima, parallel and perpendicular to the substrate plane, separated by a conical energy barrier. We realize this bistable anchoring on a grafted polymer brush and we observe temperature-driven transitions between the conical, planar, and anticonical degenerated anchorings. Under electric field we break the anticonical anchoring and switch between its bistable states.

  3. Anticonical anchoring and surface transitions in a nematic liquid crystal

    NASA Astrophysics Data System (ADS)

    Faget, L.; Lamarque-Forget, S.; Martinot-Lagarde, Ph.; Auroy, P.; Dozov, I.

    2006-11-01

    Recent works reported planar and conical azimuthally degenerated nematic anchorings. Here we predict an additional “anticonical” degenerated anchoring. Its energy presents two minima, parallel and perpendicular to the substrate plane, separated by a conical energy barrier. We realize this bistable anchoring on a grafted polymer brush and we observe temperature-driven transitions between the conical, planar, and anticonical degenerated anchorings. Under electric field we break the anticonical anchoring and switch between its bistable states.

  4. Bayesian Hierarchical Models to Augment the Mediterranean Forecast System

    DTIC Science & Technology

    2006-09-30

    case for SSH uncertainty. Relative minima in SST initial condition uncertainty occur east of Majorca, in the northern Tyrrhenian Sea , and in the...demonstrate forecast uncertainties during difficult to predict regime transitions in the Mediterranean Sea (e.g. the Fall transition, deep water formation...variance, or “spread” at each MFS-Wind-BHM output grid location in a blow-up of the western Mediterranean Sea , centered on the Gulf of Lions (Fig 1

  5. Charge breaking bounds in the Zee model

    SciTech Connect

    Barroso, A.; Ferreira, P.M.

    2005-10-01

    We study the possibility that charge breaking (CB) minima occur in the Zee model. We reach very different conclusions from those attained in simpler, two Higgs doublet models, and the reason for this is traced back to the existence of cubic terms in the potential. A scan of the Zee model's parameter space shows that CB is restricted to a narrow region of values of the parameters.

  6. Metastability in the Spin-1 Blume–Emery–Griffiths Model within Constant Coupling Approximation

    NASA Astrophysics Data System (ADS)

    Ekiz, C.

    2017-02-01

    In this paper, the equilibrium properties of spin-1 Blume–Emery–Griffiths model are studied by using constant-coupling approximation. The dipolar and quadrupolar order parameters, the stable, metastable and unstable states and free energy of the model are investigated. The states are defined in terms of local minima of the free energy of system. The numerical calculations are presented for several values of exchange interactions on the simple cubic lattice with q = 6.

  7. A microscopic description of neutron-rich lithium isotopes

    SciTech Connect

    Burov, V.V.; Rzjanin, M.V.; Miller, H.G.; Shitikova, K.V.; Yen, G.D.

    1994-12-01

    A unified calculation of neutron-rich isotopes in lithium is performed using the hyperspherical basis in which the underlying symmetry of each isotope exhibits a simple structure. The variation of the binding energy as a function of mass number is qualitatively reproduced, and the asymptotic of radial distribution of each isotope decreases exponentially. The form factors of the lithium isotopes are calculated and display diffraction minima. 27 refs., 3 figs., 3 tabs.

  8. Determination of particle size using measurement of scatter

    NASA Technical Reports Server (NTRS)

    Scott, R. L., Jr.

    1978-01-01

    A literature search was conducted to determine the state of the art particle size measurement by the light scatter technique. This technique may involve diffraction pattern analysis, location of minima and maxima in angular dependence of scattered light, magnitude of intensity verses angle, forward lobe scattered intensity ratio using two small angles, forward scatter in a small cone, and total scatter. Some of the more modern recordings and detection systems are video, holographic, and systems using optical processing.

  9. Time series prediction using artificial neural network for power stabilization

    SciTech Connect

    Puranik, G.; Philip, T.; Nail, B.

    1996-12-31

    Time series prediction has been applied to many business and scientific applications. Prominent among them are stock market prediction, weather forecasting, etc. Here, this technique has been applied to forecast plasma torch voltages to stabilize power using a backpropagation, a model of artificial neural network. The Extended-Delta-Bar-Delta algorithm is used to improve the convergence rate of the network and also to avoid local minima. Results from off-line data was quite promising to use in on-line.

  10. Flow rates and repose angles of wet-processed granulations.

    PubMed

    Carstensen, J T; Chan, P C

    1977-09-01

    The equation of McDougall and Evans was found not to apply to granulations. The functional relationships among volumetric powder flow rates, angles of repose, and particle size were demonstrated to exhibit maxima (rather than minima) in five common pharmaceutical granulations produced by wet processing. The angular behavior of granules (such as the experienced range of angles) is explained via supported stacking geometries, and the shallow maxima in the angle of repose versus granule diameter was derived from this model.

  11. Mesh Adaptive Direct Search Methods for Constrained Nonsmooth Optimization

    DTIC Science & Technology

    2012-02-24

    presence will extend our collaboration circle to mechanical engineering researchers. • We have initiated a new collaboration with A.D. Pelton from chemi...Published: 1. A.E. Gheribi, C. Audet, S. Le Digabel, E. Blisle, C.W. Bale and A. D. Pelton . Calculating optimal conditions for alloy and process...Gheribi, C. Robelin, S. Le Digabel, C. Audet and A.D. Pelton . Calculating All Local Minima on Liquidus Surfaces Using the FactSage Software and Databases

  12. Low-temperature conductance of crossed carbon nanotubes

    SciTech Connect

    Margulis, V. A. Pyataev, M. A.

    2007-07-15

    Low-temperature conductance of crossed carbon nanotubes with a point contact is investigated theoretically. Explicit formulas for the conductance of the device are obtained by solving the Schroedinger equation. It is shown that the conductance of each tube has minima associated with the resonance scattering of electrons at the points of contact as well with the transfer of electrons to the second tube. The electron transport between the first and the second tubes exhibits resonance behavior.

  13. Korshunov instantons out of equilibrium

    NASA Astrophysics Data System (ADS)

    Titov, M.; Gutman, D. B.

    2016-04-01

    Zero-dimensional dissipative action possesses nontrivial minima known as Korshunov instantons. They have been known so far only for imaginary time representation that is limited to equilibrium systems. In this work we reconstruct and generalise Korshunov instantons using real-time Keldysh approach. This allows us to formulate the dissipative action theory for generic nonequilibrium conditions. Possible applications of the theory to transport in strongly biased quantum dots are discussed.

  14. Near infrared iron absorption bands: Applications to geologic mapping and mineral exploration

    NASA Technical Reports Server (NTRS)

    Rowan, L. C.

    1972-01-01

    A spectroscopic analysis of the difference in reflectance of iron-rich and iron-poor minerals was made. Attempts were made to use these minima contrast in geological mapping and metallic mineral exploration of large areas from near infrared and visible satellite images. Data cover pertinent laboratory spectroscopic investigations, applications of spectral differences to the discrimination of two important metamorphic rock types, and mineral exploration by aircraft in Beartooth Mountains, Montana.

  15. VizieR Online Data Catalog: BVRI light curves and RV curves of 65 UMa (Zasche+, 2012)

    NASA Astrophysics Data System (ADS)

    Zasche, P.; Uhlar, R.; Slechta, M.; Wolf, M.; Harmanec, P.; Nemravova, J. A.; Korcakova, D.

    2012-04-01

    We perform a combined analysis of the light and radial velocity curves, as well as the period variation by studying the times of the minima and the interferometric orbit. A disentangling technique is used to perform the spectra decomposition. This combined approach allows us to study the long-term period changes in the system for the first time, identifying the period variation due to the motion on the visual orbit, in addition to some short-term modulation. (4 data files).

  16. Between Hope and Fear: The Psychology of Risk.

    DTIC Science & Technology

    1986-05-01

    further away at the high end (striped area upper right). Thus, the riskless lottery offers both higher minima and higher maxima. Not surprisingly, it...probability theory. Historia Mathematica, 7, 234-260. Day, R. H. (1979). Cautious suboptimizing. In J. A. Roumasset, J.-M. Boussard, & I. Singh (Eds...Alexandria, VA 22311 6 .- . JANUARY 1986 Other Organizations Dr. David Van Essen Dr. Stanley N. Roscoe California Institute of Tech. New Mexico State

  17. Modeling Regional Seismic Waves from Underground Nuclear Explosion

    DTIC Science & Technology

    1989-05-15

    highest amplitude regions of the wavefield have maxima and minima at approximately the same fraction of propagated past the right-most edge of the grid...Methods In Coeimpuldatu Physics 11, southwester United States and Mexico , Bi. seiwn. Soc. Air., Seimolog, Aider, B., Ferabad, S. & Bolt. B. A., Academic...Albuquerque, New Mexico , 84 pp. Reshef, M., D. Kosloff, M. Edwards and C. lislung (1988a). Three-dimensional acoustic modeling by the Fourier method

  18. Layers of quasi-horizontally oriented ice crystals in cirrus clouds observed by a two-wavelength polarization lidar.

    PubMed

    Borovoi, Anatoli; Balin, Yurii; Kokhanenko, Grigorii; Penner, Iogannes; Konoshonkin, Alexander; Kustova, Natalia

    2014-10-06

    Layers of quasi-horizontally oriented ice crystals in cirrus clouds are observed by a two-wavelength polarization lidar. These layers of thickness of several hundred meters are identified by three attributes: the backscatter reveals a sharp ridge while the depolarization ratio and color ratio become deep minima. These attributes have been justified by theoretical calculations of these quantities within the framework of the physical-optics approximation.

  19. Infra red active modes due to coupling of cyclotron excitation and LO phonons in polar semiconductor

    NASA Astrophysics Data System (ADS)

    Agrawal, Ratna; Dubey, Swati; Ghosh, S.

    2013-06-01

    Effects of free carrier concentration, external magnetic field and Callen effective charge on infra red active modes in a polar semiconductor have been analytically investigated using simple harmonic oscillator model. Callen effective charge considerably enhances reflectivity and shifts minima towards lower values of energy. Presence of magnetic field leads towards the coupling of collective cyclotron excitations with LO phonon giving rise to maximum reflectivity whereas cyclotron resonance absorption results into minimum reflectivity.

  20. 3D Clumped Cell Segmentation Using Curvature Based Seeded Watershed

    PubMed Central

    Atta-Fosu, Thomas; Guo, Weihong; Jeter, Dana; Mizutani, Claudia M.; Stopczynski, Nathan; Sousa-Neves, Rui

    2017-01-01

    Image segmentation is an important process that separates objects from the background and also from each other. Applied to cells, the results can be used for cell counting which is very important in medical diagnosis and treatment, and biological research that is often used by scientists and medical practitioners. Segmenting 3D confocal microscopy images containing cells of different shapes and sizes is still challenging as the nuclei are closely packed. The watershed transform provides an efficient tool in segmenting such nuclei provided a reasonable set of markers can be found in the image. In the presence of low-contrast variation or excessive noise in the given image, the watershed transform leads to over-segmentation (a single object is overly split into multiple objects). The traditional watershed uses the local minima of the input image and will characteristically find multiple minima in one object unless they are specified (marker-controlled watershed). An alternative to using the local minima is by a supervised technique called seeded watershed, which supplies single seeds to replace the minima for the objects. Consequently, the accuracy of a seeded watershed algorithm relies on the accuracy of the predefined seeds. In this paper, we present a segmentation approach based on the geometric morphological properties of the ‘landscape’ using curvatures. The curvatures are computed as the eigenvalues of the Shape matrix, producing accurate seeds that also inherit the original shape of their respective cells. We compare with some popular approaches and show the advantage of the proposed method. PMID:28280723

  1. Idempotent Methods for Control and Games

    DTIC Science & Technology

    2013-09-10

    operator). In particular, under certain conditions, pointwise minima of affine and quadratic forms pass through this operator. As the operator contains an...representation as a pointwise minimum of quadratic or affine forms. In the recent work, the severe restriction to discrete-time problems was removed. This...general nonlinear Hamiltonian as a pointwise maximum (or a pointwise minimum) of quadratic forms. Note that any semiconvex [semiconcave] Hamiltonian

  2. Dataset of the AAC2 conformations in the c-, intermediate- and m-states obtained from free-energy simulations

    PubMed Central

    Pietropaolo, Adriana; Pierri, Ciro Leonardo; Palmieri, Ferdinando; Klingenberg, Martin

    2016-01-01

    The data reported herein are related to the article entitled: “The switching mechanism of the mitochondrial ADP/ATP carrier explored by free-energy landscapes” (Pietropaolo et al., 2016) [1]. We report the coordinates of the ADP/ATP carrier (AAC2) in the presence and absence of adenine and guanine nucleotides in the c-, intermediate- and m-states obtained from the free-energy simulations and corresponding to the free-energy minima. PMID:27158649

  3. Strong-field approximation for above-threshold ionization of polyatomic molecules. II. The role of electron rescattering off the molecular centers

    NASA Astrophysics Data System (ADS)

    Hasović, E.; Milošević, D. B.

    2014-05-01

    We consider high-order above-threshold ionization of polyatomic molecules by a strong laser field. An improved molecular strong-field approximation which takes into account the electron rescattering off the molecular centers is developed. The presented theory is applied to calculate the photoelectron energy and angular distributions for the ozone molecule. The obtained spectra exhibit pronounced minima, and this is explained as a three-point destructive interference of the rescattered electron wave packets.

  4. Discrete domain wall positioning due to pinning in current driven motion along nanowires.

    PubMed

    Jiang, Xin; Thomas, Luc; Moriya, Rai; Parkin, Stuart S P

    2011-01-12

    Racetrack memory is a novel storage-class memory device in which a series of domain walls (DWs), representing zeros and ones, are shifted to and fro by current pulses along magnetic nanowires. Here we show, by precise measurements of the DW's position using spin-valve nanowires, that these positions take up discrete values. This results from DW relaxation after the end of the current pulse into local energy minima, likely derived from imperfections in the nanowire.

  5. Foraging on the potential energy surface: A swarm intelligence-based optimizer for molecular geometry

    NASA Astrophysics Data System (ADS)

    Wehmeyer, Christoph; Falk von Rudorff, Guido; Wolf, Sebastian; Kabbe, Gabriel; Schärf, Daniel; Kühne, Thomas D.; Sebastiani, Daniel

    2012-11-01

    We present a stochastic, swarm intelligence-based optimization algorithm for the prediction of global minima on potential energy surfaces of molecular cluster structures. Our optimization approach is a modification of the artificial bee colony (ABC) algorithm which is inspired by the foraging behavior of honey bees. We apply our modified ABC algorithm to the problem of global geometry optimization of molecular cluster structures and show its performance for clusters with 2-57 particles and different interatomic interaction potentials.

  6. D{sub 3h} [A-CE{sub 3}-A]{sup −} (E = Al and Ga, A = Si, Ge, Sn, and Pb): A new class of hexatomic mono-anionic species with trigonal bipyramidal carbon

    SciTech Connect

    Wu, Yan-Bo E-mail: zxwang@ucas.ac.cn; Li, Yan-Qin; Bai, Hui; Lu, Hai-Gang; Li, Si-Dian; Zhai, Hua-Jin; Wang, Zhi-Xiang E-mail: zxwang@ucas.ac.cn

    2014-03-14

    The non-classical trigonal bipyramidal carbon (TBPC) arrangement generally exists as transition states (TSs) in nucleophilic bimolecular substitution (S{sub N}2) reactions. Nevertheless, chemists have been curious about whether such a carbon bonding could be stable in equilibrium structures for decades. As the TBPC arrangement was normally realized as cationic species theoretically and experimentally, only one anionic example ([At-C(CN){sub 3}-At]{sup −}) was computationally devised. Herein, we report the design of a new class of anionic TBPC species by using the strategy similar to that for stabilizing the non-classical planar hypercoordinate carbon. When electron deficient Al and Ga were used as the equatorial ligands, eight D{sub 3h} [A-CE{sub 3}-A]{sup −} (E = Al and Ga, A = Si, Ge, Sn, and Pb) TBPC structures were found to be the energy minima rather than TSs at both the B3LYP and MP2 levels. Remarkably, the energetic results at the CCSD(T) optimization level further identify [Ge-CAl{sub 3}-Ge]{sup −} and [Sn-CGa{sub 3}-Sn]{sup −} even to be the global minima and [Si-CAl{sub 3}-Si]{sup −} and [Ge-CGa{sub 3}-Ge]{sup −} to be the local minima, only slightly higher than their global minima. The electronic structure analyses reveal that the substantial ionic C–E bonding, the peripheral E–A covalent bonding, and the axial mc-2e (multi center-two electrons) bonding play roles in stabilizing these TBPC structures. The structural simplicity and the high thermodynamic stability suggest that some of these species may be generated and captured in the gas phase. Furthermore, as mono-anionic species, their first vertical detachment energies are differentiable from those of their nearest isomers, which would facilitate their characterization via experiments such as the negative ion photoelectron spectroscopy.

  7. A Phase Field Model of Deformation Twinning: Nonlinear Theory and Numerical Simulations

    DTIC Science & Technology

    2011-03-01

    numerical solutions require advanced computational methods such as level sets [18] for resolution of surfaces of discontinuity. Continuum phase field...conditions (28). Strong forms derived in Sections 2.4 and 3.3 are not needed by the numerical algorithms . Addressed in what follows are the following kinds of...inclusions in Fig. 3) because the algorithm seeks energy minima rather than saddle points. Recall that the total free energy is a non-convex functional

  8. The Photometric Period of V1974 Cygni (Nova Cygni 1992)

    DTIC Science & Technology

    1994-08-10

    Time Service Department, 3450 Massachusetts Avenue, NW, Washington, DC 20392-5420 Received 1994 March 16; accepted 1994 May 19 ABSTRACT We present the...the components to be deter- mined when combined with time -resolved spectroscopic radial velocity observations. Future studies of the secular...0.003 days and a similar peak-to-peak amplitude (Szkody et al. 1989). The heliocentric times of minima were determined by a numerical differencing

  9. Coupling and Correlation-analysis Between the Northern and Southern Hemispheres' Solar Cycle Features based on Sunspot Area Data

    NASA Astrophysics Data System (ADS)

    Wilson, W. N.; Dikpati, M.

    2014-12-01

    Vast literature on Babcock-Leighton flux-transport dynamo models indicate that the sunspot activity cycles in the Northern and Southern hemispheres are primarily decoupled about the equator and are independent of each other. However, we find from the analysis of long-term sunspot area data from 1875 to 2013 that the two hemispheres continuously attempt to couple about the equator. If we define the coupling line as the line where the sunspot area of the two hemispheres is the same on the plot of North versus South spot-area, we find that the two hemispheres' spot-area tend to fall on the coupling line over a very long period of time, despite their short-term traversal away from the coupling line. This indicates that there must be some underlying process inside the Sun's interior which is causing this coupling. Further analysis of the features, such as rise and decay times of solar cycles, minima and peak amplitudes, reveal that the solar cycles normally follow a saw-tooth pattern with a fast rise and slow fall, as noted before. Most interestingly, we find that rise-time in one hemisphere correlates with minima-amplitude of the other hemisphere, but anti-correlates with that of the same hemisphere. We speculate that this happens because the fast rise of a cycle can annihilate the opposite-hemisphere's flux faster, leading to a lower minima-amplitude. By contrast, the peak of a cycle does not have much influence on minima-amplitude of the opposite hemisphere. We are investigating the physics behind these features through dynamo simulations.

  10. Nonequilibrium Casimir-Polder plasmonic interactions

    SciTech Connect

    Bartolo, Nicola; Messina, Riccardo; Dalvit, Diego Alejandro Roberto; Intravaia, Francesco

    2016-04-18

    Here we investigate how the combination of nonequilibrium effects and material properties impacts on the Casimir-Polder interaction between an atom and a surface. By addressing systems with temperature inhomogeneities and laser interactions, we show that nonmonotonous energetic landscapes can be produced where barriers and minima appear. Lastly, our treatment provides a self-consistent quantum theoretical framework for investigating the properties of a class of nonequilibrium atom-surface interactions.

  11. Denitrification in the Arctic mid-winter 2004/2005 observed by airborne submillimeter radiometry

    NASA Technical Reports Server (NTRS)

    Kleinbohl, Armin; Bremer, Holger; Kullmann, Harry; Kuttippurath, Jayanarayanan; Browell, Edward V.; Canty, Timothy; Salawitch, Ross J.; Toon, Geoffrey C.; Nothol, Justus

    2005-01-01

    We present measurements of unusually low mixing ratios of HNO3 in the exceptionally cold Arctic vortex of late-January and early-February 2005. The measurements were obtained by the airborne submillimeter radiometer ASUR during the polar aura validation experiment (PAVE). The distribution of HNO3 inside the vortex reaches minima below 4 ppbv around 22 km altitude and maxima above 13 ppbv around 16 km altitude, with a considerable spatial variability.

  12. First report of a gryporhynchid tapeworm (Cestoda: Cyclophyllidea) from New Zealand and from an eleotrid fish, described from metacestodes and in vitro-grown worms.

    PubMed

    Presswell, B; Poulin, R; Randhawa, H S

    2012-12-01

    Metacestodes are often found in the body cavity of the common bully (Gobiomorphus cotidianus McDowall), from freshwater habitats in Otago, New Zealand. Identification of metacestodes relies only on the number, size and shape of the rostellar hooks. To attempt species determination, we cultivated metacestodes in vitro for up to 23 days, during which they matured to at least the male stage of development, although female organs were not discernable. Identified as members of the genus Paradilepis Hsü, 1935 (family Gryporhynchidae), these specimens are compared to previously described species, in particular P. minima (Goss, 1940), from Australia, the closest species, both geographically and morphologically. Although the size of scolex, suckers and proglottids differ significantly from those of P. minima, we are cautious about interpreting 'adults' grown in vitro, because we are unsure whether the artificial conditions alter development. For this reason, and because of the lack of female organs, we refrain from erecting a new species, and refer to the specimens as Paradilepis cf. minima until such time as the adults are found in the definitive host. With this proviso we present here a description of the in vitro-grown worms and the metacestodes as a preliminary study of this cestode. A molecular analysis of small subunit (SSU) rDNA sequences, shows the position of P. cf. minima and another gryporhynchid, Neogryporhynchus cheilancristrotus (Wedl, 1855), to be equivocal, but confirms their exclusion from the Dilepididae and Hymenolepididae. This is the first record of a gryporhynchid from New Zealand, and the first from the fish family Eleotridae.

  13. Conditions for continuation of the efficient curve for multi-objective control-structure optimization

    NASA Technical Reports Server (NTRS)

    Rakowska, Joanna

    1992-01-01

    The paper describes the conditions for continuation of the efficient curve for bi-objective control-structure optimization of a ten-bar truss with two collocated sensors and actuators. The curve has been obtained with an active set algorithm using a homotopy method. The curve is discontinuous. A general stability theory has been implemented to determine sufficient conditions for the persistence of minima, and bifurcation theory has been used to characterize the possible points of discontinuity of the path.

  14. Computational Multiqubit Tunnelling in Programmable Quantum Annealers

    DTIC Science & Technology

    2016-08-25

    Masoud Mohseni1 & Hartmut Neven1 Quantum tunnelling is a phenomenon in which a quantum state traverses energy barriers higher than the energy of the...the initial temperature must be high to overcome tall energy barriers. As the algorithm progresses, the temperature is gradually lowered to distinguish...between local minima with small energy differences. This causes the stochastic process to freeze once the thermal energy is lower than the height of

  15. Variable Star and Exoplanet Section of the Czech Astronomical Society

    NASA Astrophysics Data System (ADS)

    Brát, L.; Zejda, M.

    2010-12-01

    We present activities of Czech variable star observers organized in the Variable Star and Exoplanet Section of the Czech Astronomical Society. We work in four observing projects: B.R.N.O. - eclipsing binaries, MEDUZA - intrinsic variable stars, TRESCA - transiting exoplanets and candidates, HERO - objects of high energy astrophysics. Detailed information together with O-C gate (database of eclipsing binaries minima timings) and OEJV (Open European Journal on Variable stars) are available on our internet portal http://var.astro.cz.

  16. The eclipsing binary CW Eridani. [three-color photoelectric observation

    NASA Technical Reports Server (NTRS)

    Chen, K.-Y.

    1975-01-01

    Results of three-color photoelectric observations of CW Eridani are presented which were made with a 30-inch telescope over the three-year period from 1970 to 1973. The times of minima are computed, solutions of the light curves are obtained, and theoretical light curves are computed from the solutions. The period is determined to be 2.72837 days, and the orbital and photoelectric elements are derived from solutions based on the idealized Russell model.

  17. Stochastic Adaptive Control and Estimation Enhancement.

    DTIC Science & Technology

    1985-03-19

    minima behave as the terminal state weighting changes . This is illustrated in Fig. ,..ith terminal state weighting Q(2) and control %,eighting 5. For...been shown that the various cost components lea-rng changes the present behavior of the (’L controller, can vary drastically with changes in the...abrupt change in the damping and frequencies of wing structural modes. The structural and aerodynamic models used z(k) = hkx(k)J + w(k), k = ,.,-1 in

  18. Observational Verification of the Limb-Darkening Law Based on Kepler Data

    NASA Astrophysics Data System (ADS)

    Zola, S.; Baran, A.; Debski, B.; Jableka, D.

    2015-07-01

    We present preliminary results obtained from modeling of light curves of a sample of contact binaries observed by the Kepler spacecraft. Our study was aimed at verifying which of the three most commonly used limb-darkening formulations fits the high quality Kepler data the best. We limited our work to twelve binary systems showing flat-bottomed minima, and we found that for ten of them the square root limb-darkening law led to the best fits.

  19. Developmental Effects in the Masking-Level Difference

    ERIC Educational Resources Information Center

    Hall, Joseph W.; Buss, Emily; Grose, John H.; Dev, Madhu B.

    2004-01-01

    Adults and children (aged 5 years 1 month to 10 years 8 months) were tested in a masking-level difference (MLD) paradigm in which detection of brief signals was contrasted for signal placement in masker envelope maxima versus masker envelope minima. Maskers were 50-Hz-wide noise bands centered on 500 Hz, and the signals were So or S[pi] 30-ms,…

  20. IEEE Conference on Neural Information Processing Systems - Natural and Synthetic Held in Denver, Colorado on 28 November-1 December 1988

    DTIC Science & Technology

    1989-08-14

    4 NEURAL NETWORKS AND PRINCIPAL COMPONENT ANALYSIS: LEARNING FROM5 EXAMPLES, WITHOUT LOCAL MINIMA. P. Baldi, K . Homik. 4 LEARNING BY CHOICE OF...ANNEALING AND NEURAL NETWORKS. G. Bilbro, T. K . Miller, "W. Snyder, D. Van den Bout, M. White, R. Manni. 5 I Table of Contents CONNECTIONIST LEARNING OF...COMPARISON OF TWO LP PARAMETIC REPRESENTATIONS IN A NEURAL NETWORK-BASED SPEECH RECOGNIZER) K . K . Paliwal. 9 NONLINEAR DYNAMICAL MODELING OF SPEECH

  1. A statistical-based scheduling algorithm in automated data path synthesis

    NASA Technical Reports Server (NTRS)

    Jeon, Byung Wook; Lursinsap, Chidchanok

    1992-01-01

    In this paper, we propose a new heuristic scheduling algorithm based on the statistical analysis of the cumulative frequency distribution of operations among control steps. It has a tendency of escaping from local minima and therefore reaching a globally optimal solution. The presented algorithm considers the real world constraints such as chained operations, multicycle operations, and pipelined data paths. The result of the experiment shows that it gives optimal solutions, even though it is greedy in nature.

  2. Photometric and Polarimetric Activity of the Herbig Ae Star VX Cas

    NASA Astrophysics Data System (ADS)

    Shakhovskoi, D. N.; Rostopchina, A. N.; Grinin, V. P.; Minikulov, N. Kh.

    2003-04-01

    We present the results of our simultaneous photometric and polarimetric observations of the Herbig Ae/Be star VX Cas acquired in 1987 2001. The star belongs to the UX Ori subtype of young variable stars and exhibits a rather low level of photometric activity: only six Algol-like minima with amplitudes ΔV>1m were recorded in 15 years of observations. Two of these minima, in 1998 and 2001, were the deepest in the history of the star’s photometric studies, with V amplitudes of about 2m. In each case, the dimming was accompanied by an increase in the linear polarization in agreement with the law expected for variable circumstellar extinction. The highest V polarization was about 5%. Observations of VX Cas in the deep minima revealed a turnover of the color tracks, typical of stars of this type and due to an increased contribution from radiation scattered in the circumstellar disk. We separated the observed polarization of VX Cas into interstellar (P is) and intrinsic (P in) components. Their position angles differ by approximately 60°, with P is dominating in the bright state and P in dominating during the deep minima. The competition of these two polarization components leads to changes in both the degree and position angle of the polarization during the star’s brightness variations. Generally speaking, in terms of the behavior of the brightness, color indices, and linear polarization, VX Cas is similar to other UX Ori stars studied by us earlier. A number of episodes of photometric and polarimetric activity suggest that, in their motion along highly eccentric orbits, circumstellar gas and dust clouds can enter the close vicinity of the star (and be disrupted there).

  3. GAUSSIAN 76: An ab initio Molecular Orbital Program

    DOE R&D Accomplishments Database

    Binkley, J. S.; Whiteside, R.; Hariharan, P. C.; Seeger, R.; Hehre, W. J.; Lathan, W. A.; Newton, M. D.; Ditchfield, R.; Pople, J. A.

    1978-01-01

    Gaussian 76 is a general-purpose computer program for ab initio Hartree-Fock molecular orbital calculations. It can handle basis sets involving s, p and d-type Gaussian functions. Certain standard sets (STO-3G, 4-31G, 6-31G*, etc.) are stored internally for easy use. Closed shell (RHF) or unrestricted open shell (UHF) wave functions can be obtained. Facilities are provided for geometry optimization to potential minima and for limited potential surface scans.

  4. Visualizing and improving the robustness of phase retrieval algorithms

    DOE PAGES

    Tripathi, Ashish; Leyffer, Sven; Munson, Todd; ...

    2015-06-01

    Coherent x-ray diffractive imaging is a novel imaging technique that utilizes phase retrieval and nonlinear optimization methods to image matter at nanometer scales. We explore how the convergence properties of a popular phase retrieval algorithm, Fienup's HIO, behave by introducing a reduced dimensionality problem allowing us to visualize and quantify convergence to local minima and the globally optimal solution. We then introduce generalizations of HIO that improve upon the original algorithm's ability to converge to the globally optimal solution.

  5. MITHRAS: A Program of Simultaneous Radar Observations of the High-Latitude Auroral Zone.

    DTIC Science & Technology

    1982-11-01

    CHATANIKA AND MILL - STONE HILL. The vertical arrow indicates local midnight. 29 electron densities. The nighttime minima are not as well reproduced by the... Nuit de Haute Latitude," Proceedings of GRECO Conference, Grenoble, France (September 1982). Senior, C., P. Bauer, C. Taieb, and Michel Petit, "Le R61e...Alignis, Precipitations Diffuses et Electrojets dans le Secteur Nuit de Haute Latitude," C. Senior, Proceedings of GRECO Conference, Grenoble, 1982. 0"On

  6. Stochastic differential equations as a tool to regularize the parameter estimation problem for continuous time dynamical systems given discrete time measurements.

    PubMed

    Leander, Jacob; Lundh, Torbjörn; Jirstrand, Mats

    2014-05-01

    In this paper we consider the problem of estimating parameters in ordinary differential equations given discrete time experimental data. The impact of going from an ordinary to a stochastic differential equation setting is investigated as a tool to overcome the problem of local minima in the objective function. Using two different models, it is demonstrated that by allowing noise in the underlying model itself, the objective functions to be minimized in the parameter estimation procedures are regularized in the sense that the number of local minima is reduced and better convergence is achieved. The advantage of using stochastic differential equations is that the actual states in the model are predicted from data and this will allow the prediction to stay close to data even when the parameters in the model is incorrect. The extended Kalman filter is used as a state estimator and sensitivity equations are provided to give an accurate calculation of the gradient of the objective function. The method is illustrated using in silico data from the FitzHugh-Nagumo model for excitable media and the Lotka-Volterra predator-prey system. The proposed method performs well on the models considered, and is able to regularize the objective function in both models. This leads to parameter estimation problems with fewer local minima which can be solved by efficient gradient-based methods.

  7. The physics of pressure variation in microchannels within corotating or static discs

    NASA Astrophysics Data System (ADS)

    Guha, Abhijit; Sengupta, Sayantan

    2016-10-01

    We formulate a comprehensive analysis for the radial pressure variation in flow through microchannels within corotating (or static) discs, which is important for its fundamental value and application potential in macrofluidic and microfluidic devices. The uniqueness and utility of the present approach emanate from our ability to describe the physics completely in terms of non-dimensional numbers and to determine quantitatively the separate roles of inertia, centrifugal force, Coriolis force, and viscous effects in the overall radial pressure difference (Δpio). It is established here that the aspect ratio (ratio of inter-disc spacing and disc radius) plays only a secondary role as an independent parameter, its major role being contained within a newly identified dynamic similarity number (Ds). For radial inflow, it is shown that the magnitude of Δpio decreases monotonically as the tangential speed ratio (γ) increases but exhibits a minima when Ds is varied. For radial outflow, it is shown that Δpio increases monotonically as the flow coefficient (ϕ) decreases but evinces a maxima when Ds is varied. It is further shown that for the radial inflow case, the minima in the magnitude of Δpio exist even when the rotational speed of the discs is reduced to zero (static discs). The demonstrated existence of these extrema (i.e., minima for radial inflow and maxima for radial outflow) creates the scope for device optimization.

  8. Global transition path search for dislocation formation in Ge on Si(001)

    NASA Astrophysics Data System (ADS)

    Maras, E.; Trushin, O.; Stukowski, A.; Ala-Nissila, T.; Jónsson, H.

    2016-08-01

    Global optimization of transition paths in complex atomic scale systems is addressed in the context of misfit dislocation formation in a strained Ge film on Si(001). Such paths contain multiple intermediate minima connected by minimum energy paths on the energy surface emerging from the atomic interactions in the system. The challenge is to find which intermediate states to include and to construct a path going through these intermediates in such a way that the overall activation energy for the transition is minimal. In the numerical approach presented here, intermediate minima are constructed by heredity transformations of known minimum energy structures and by identifying local minima in minimum energy paths calculated using a modified version of the nudged elastic band method. Several mechanisms for the formation of a 90° misfit dislocation at the Ge-Si interface are identified when this method is used to construct transition paths connecting a homogeneously strained Ge film and a film containing a misfit dislocation. One of these mechanisms which has not been reported in the literature is detailed. The activation energy for this path is calculated to be 26% smaller than the activation energy for half loop formation of a full, isolated 60° dislocation. An extension of the common neighbor analysis method involving characterization of the geometrical arrangement of second nearest neighbors is used to identify and visualize the dislocations and stacking faults.

  9. CHARACTERISTICS OF SOLAR MERIDIONAL FLOWS DURING SOLAR CYCLE 23

    SciTech Connect

    Basu, Sarbani; Antia, H. M. E-mail: antia@tifr.res.i

    2010-07-01

    We have analyzed available full-disk data from the Michelson Doppler Imager on board SOHO using the 'ring diagram' technique to determine the behavior of solar meridional flows over solar cycle 23 in the outer 2% of the solar radius. We find that the dominant component of meridional flows during solar maximum was much lower than that during the minima at the beginning of cycles 23 and 24. There were differences in the flow velocities even between the two minima. The meridional flows show a migrating pattern with higher-velocity flows migrating toward the equator as activity increases. Additionally, we find that the migrating pattern of the meridional flow matches those of sunspot butterfly diagram and the zonal flows in the shallow layers. A high-latitude band in meridional flow appears around 2004, well before the current activity minimum. A Legendre polynomial decomposition of the meridional flows shows that the latitudinal pattern of the flow was also different during the maximum as compared to that during the two minima. The different components of the flow have different time dependences, and the dependence is different at different depths.

  10. SOLAR ROTATION RATE DURING THE CYCLE 24 MINIMUM IN ACTIVITY

    SciTech Connect

    Antia, H. M.; Basu, Sarbani E-mail: sarbani.basu@yale.ed

    2010-09-01

    The minimum of solar cycle 24 is significantly different from most other minima in terms of its duration as well as its abnormally low levels of activity. Using available helioseismic data that cover epochs from the minimum of cycle 23 to now, we study the differences in the nature of the solar rotation between the minima of cycles 23 and 24. We find that there are significant differences between the rotation rates during the two minima. There are differences in the zonal-flow pattern too. We find that the band of fast rotating region close to the equator bifurcated around 2005 and recombined by 2008. This behavior is different from that during the cycle 23 minimum. By autocorrelating the zonal-flow pattern with a time shift, we find that in terms of solar dynamics, solar cycle 23 lasted for a period of 11.7 years, consistent with the result of Howe et al. (2009). The autocorrelation coefficient also confirms that the zonal-flow pattern penetrates through the convection zone.

  11. On the origin of pure optical rotation in twisted-cross metamaterials

    PubMed Central

    Barr, Lauren E.; Díaz-Rubio, Ana; Tremain, Ben; Carbonell, Jorge; Sánchez-Dehesa, José; Hendry, Euan; Hibbins, Alastair P.

    2016-01-01

    We present an experimental and computational study of the response of twisted-cross metamaterials that provide near dispersionless optical rotation across a broad band of frequencies from 19 GHz to 37 GHz. We compare two distinct geometries: firstly, a bilayer structure comprised of arrays of metallic crosses where the crosses in the second layer are twisted about the layer normal; and secondly where the second layer is replaced by the complementary to the original, i.e. an array of cross-shaped holes. Through numerical modelling we determine the origin of rotatory effects in these two structures. In both, pure optical rotation occurs in a frequency band between two transmission minima, where alignment of electric and magnetic dipole moments occurs. In the cross/cross metamaterial, the transmission minima occur at the symmetric and antisymmetric resonances of the coupled crosses. By contrast, in the cross/complementary-cross structure the transmission minima are associated with the dipole and quadrupole modes of the cross, the frequencies of which appear intrinsic to the cross layer alone. Hence the bandwidth of optical rotation is found to be relatively independent of layer separation. PMID:27457405

  12. Conformations and Coherences in Structure Determination by Ultrafast Electron Diffraction

    PubMed Central

    Lin, Milo M.; Shorokhov, Dmitry; Zewail, Ahmed H.

    2009-01-01

    In this article we consider consequences of spatial coherences and conformations in diffraction of (macro)molecules with different potential energy landscapes. The emphasis is on using this understanding to extract structural and temporal information from diffraction experiments. The theoretical analysis of structural interconversions spans an increased range of complexity, from small hydrocarbons to proteins. For each molecule considered, we construct the potential energy landscape and assess the characteristic conformational states available. For molecules that are quasi-harmonic in the vicinity of energy minima, we find that the distinct conformer model is sufficient even at high temperatures. If, however, the energy surface is either locally flat around the minima or the molecule includes many degrees of conformational freedom, a Boltzmann ensemble must be used, in what we define as the pseudoconformer approach, to reproduce the diffraction. For macromolecules with numerous energy minima, the ensemble of hundreds of structures is considered, but we also utilize the concept of the persistence length to provide information on orientational coherence and its use to assess the degree of resonance contribution to diffraction. It is shown that the erosion of the resonant features in diffraction which are characteristic of some quasi-periodic structural motifs can be exploited in experimental studies of conformational interconversions triggered by a laser-induced temperature jump. PMID:19320469

  13. Evidence for Binarity in Kepler Observations of the Pulsating RV Tau Variable DF Cygni

    NASA Astrophysics Data System (ADS)

    Vega, Laura D.; Montez, Rodolfo, Jr.; Stassun, Keivan G.; Boyd, Patricia T.

    2017-01-01

    We present a detailed study of the RV Tau variable star, DF Cygni, using high-precision light curve observations from Kepler. Kepler’s light curve of DF Cyg is unparalleled in precision and cadence for any RV Tau star to date. The Kepler light curve spans a baseline of ~4 years and clearly displays the signature pulsational behavior of alternating deep and shallow minima as well as the long-term trend indicative of an RVb-type variable. We measure DF Cyg's formal period (the time interval between two successive deep minima) to be 49.84 +/- 0.02 days. Using the consistency of the pulsations from DF Cyg, we study the arrival times of each minimum throughout the light curve. A trend in the arrival times emulates that of the long-term period. There appear to be precisely 16 deep+shallow minima cycles in one long-term cycle, suggesting a long-term cycle period of ~797 days. We argue that binarity may naturally explain the long-term variability in DF Cyg. The spectral energy distribution of DF Cyg features an infrared excess indicative of a disk possibly linked to a binary companion. From kinematics and geometric arguments we consider whether the decrease in flux from the long-term maximum to long-term minimum, as well as the reduction of the short-term pulsation amplitude, could be caused by an occulting body such as a disk passing across DF Cyg.

  14. Spectral modulation effect in teleseismic P-waves from DPRK nuclear tests recorded at different azimuths

    NASA Astrophysics Data System (ADS)

    Gitterman, Yefim; Kim, So Gu; Hofstetter, Abraham

    2014-05-01

    Two underground nuclear explosions conducted by North Korea in 2009 and 2013 were recorded by the Israel Seismic Network. Pronounced coherent minima (spectral nulls) at 1.2-1.3 Hz were revealed in the spectra of teleseismic P-waves. For a ground-truth explosion with a shallow source depth (relatively to an earthquake), this phenomenon can be interpreted in terms of the interference between the down-going P-wave and the pP phase reflected from the Earth's surface. A similar effect was observed at ISN stations for the Pakistan nuclear explosion at a different frequency 1.7 Hz indicating a source and not site-effect. Similar spectral minima with about the same frequency were observed in teleseismic P-waves of all three North Korea explosions (including the 2006 test) recorded at network stations and arrays in Kazakhstan (KURK), Norway (NORESS, ARCESS), Australia (Alice Springs, Warramunga) and Canada (Yellowknife), covering a broad azimuthal range. Data of the 2013 test at Warramunga array showed harmonic spectral modulation with several minima, evidencing a clear interference effect. These observations support the above-mentioned interpretation. Based on the null frequency dependency on the near-surface acoustic velocity and the source depth, the depth of the North Korea tests was estimated as ~2 km (different from the value ~1 km reported by USGS for the third test). This unusual depth estimation needs an additional validation based on more stations and verification by other methods.

  15. Laser probes of the potential energy landscapes and conformational isomerization dynamics of flexible biomolecules

    NASA Astrophysics Data System (ADS)

    Dian, Brian; Clarkson, Jasper; Zwier, Timothy

    2003-03-01

    Using a combination of 2-color resonant two-photon ionization (R2PI), laser-induced fluorescence excitation (LIF), resonant ion-dip infrared spectroscopy (RIDIRS), fluorescence-dip infrared spectroscopy (FDIRS), and UV-UV hole-burning spectroscopy, the conformational preferences of a series of flexible biomolecules, including melatonin, N-acetyl-tryptophan methyl amide (NATMA), and their close analogs, have been determined in a molecular beam. These molecules are sufficiently complex to have hundreds of conformational minima, yet small enough that their potential energy landscapes can be explored in some detail. Once the conformational preferences of the molecules are established, these molecules are then studied using infrared-ultraviolet hole-filling and IR-induced population transfer spectroscopy. These methods utilize selective infrared excitation of single conformations of the molecule in the early portions of a gas-phase expansion, followed by collisional re-cooling of the excited population into its conformational minima for subsequent conformation-specific detection. Efficient isomerization is induced by the infrared excitation that redistributes population between the same conformations that have population in the absence of infrared excitation. Examples will be given in which the quantum yields for transfer of the population into the various conformational minima depend both on which conformation is excited and on which hydride stretch vibration is excited within a given conformation; that is, they are both conformation-selective and mode-selective.

  16. Stability of the CMSSM against sfermion VEVs

    NASA Astrophysics Data System (ADS)

    Camargo-Molina, J. E.; O'Leary, B.; Porod, W.; Staub, F.

    2013-12-01

    The recent discovery of a Higgs boson by the LHC experiments has pro-found implications for supersymmetric models. In particular, in the context of restricted models, such as the supergravity-inspired constrained minimal supersymmetric standard model, one finds that preferred regions in parameter space have large soft supersymmetry-breaking trilinear couplings. This potentially gives rise to charge- and/or color-breaking minima besides those with the correct breaking of SU(2)L × U(1)Y. We investigate the stability of parameter points in this model against tunneling to possible deeper color- and/or charge-breaking minima of the one-loop effective potential. We find that allowed regions of the parameter space with light staus or with light stops are seriously constrained by the requirement that there are no deeper minima, and the parameter space is still quite constrained even by the less strict requirement that the tunneling time out of the normal electroweak-symmetry-breaking vacuum is more than a fifth of the age of the known Universe. We also find that "thumb rule" conditions on Lagrangian parameters based on specific directions in the tree-level potential are of limited use.

  17. Optical Design Using an Expert System

    SciTech Connect

    Lerner, S A

    2003-08-01

    We present, as a different perspective on optimization, an expert system for optimization of optical systems that can be used in conjunction with damped least squared methods to find minima for specific design forms. Expert system optimization differs from global optimization in that it preserves the basic structure of the optical system and limits its search for a minima to a relatively small portion of the design space. In general, the high density of local minima obscures the general trend of the merit function in the region of interest for systems with a large number of variables and constraints. Surprisingly, there may be a potential decrease of an order a magnitude in the merit function for a region of solution space. While global optimization is well-suited to identifying design forms of interest, expert system optimization can be used for in-depth optimization of such forms. An expert system based upon such techniques was used to obtain the winning entry for the 2002 IODC lens design problem. The expert system used is discussed along with other design examples.

  18. Non-Axial Octupole Deformations and Tetrahedral Symmetry in Heavy Nuclei

    SciTech Connect

    Mazurek, Katarzyna; Dudek, Jerzy

    2005-11-21

    The total energies of about 120 nuclei in the Thorium region have been calculated within the macroscopic-microscopic method in the 5-dimensional space of deformation parameters {alpha}20, {alpha}22, {alpha}30, {alpha}32 and {alpha}40. The macroscopic energy term contains the nuclear surface-curvature dependence as proposed within the LSD approach. The microscopic energies are calculated with the Woods-Saxon single particle potential employing the universal set of parameters.We study a possible presence of the octupole axial and non-axial degrees of freedom all-over in the ({beta}, {gamma})-plane focussing on the ground-states, secondary minima and in the saddle points. In fact, a competition between axial and tri-axial octupole deformation parameters is obtained at the saddle points and in the secondary minima for many isotones with N > 136. The presence of the tetrahedral symmetry minima is predicted in numerous nuclei in the discussed region, although most of the time at relatively high excitation energies.

  19. Nuclear shape isomers

    NASA Astrophysics Data System (ADS)

    Möller, P.; Sierk, A. J.; Bengtsson, R.; Sagawa, H.; Ichikawa, T.

    2012-03-01

    We calculate potential-energy surfaces as functions of spheroidal (ɛ2), hexadecapole (ɛ4), and axial-asymmetry (γ) shape coordinates for 7206 nuclei from A=31 to A=290. We tabulate the deformations and energies of all minima deeper than 0.2 MeV and of the saddles between all pairs of minima. The tabulation is terminated at N=160. Our study is based on the FRLDM macroscopic-microscopic model defined in ATOMIC DATA AND NUCLEAR DATA TABLES [P. Möller, J.R. Nix, W.D. Myers, W.J. Swiatecki, At. Data Nucl. Data Tables 59 (1995) 185]. We also present potential-energy contour plots versus ɛ2 and γ for 1224 even-even nuclei in the region studied. We can identify nuclei for which a necessary condition for shape isomers occurs, namely multiple minima in the calculated potential-energy surface. We find that the vast majority of nuclear shape isomers occur in the A=80 region, the A=100 region, and in a more extended region centered around 208Pb. A calculated region of shape isomers that has so far not been extensively explored is the region of neutron-deficient actinides "north-east" of 208Pb.

  20. Recent X-ray Variability of eta Carinae: the Quick Road to Recovery

    NASA Technical Reports Server (NTRS)

    Corcoran, M. Francis; Hamaguchi, K.; Pittard, J. M.; Russell, C. M. P.; Owocki, S. P.; Parkin, E. R.; Okazaki, A.

    2010-01-01

    We report continued monitoring of the superluminous binary system eta Car by the Proportional Counter Array on the Rossi X-ray Timing Observatory (RXTE) through the 2009 X-ray minimum. The RXTE campaign shows that the minimum began on 2009 January 16, consistent with the phasings of the two previous minima, and overall, the temporal behavior of the X-ray emission was similar to that observed by RXTE in the previous two cycles. However, important differences did occur. The 2-10 keV X-ray flux and X-ray hardness decreased in the 2.5-year interval leading up to the 2009 minimum compared to the previous cycle. Most intriguingly, the 2009 X-ray minimum was about one month shorter than either of the previous two minima. During the egress from the 2009 minimum the X-ray hardness increased markedly as it had during egress from the previous two minima, although the maximum X-ray hardness achieved was less than the maximum observed after the two previous recoveries. We suggest that the cycle-to-cycle variations, especially the unexpectedly early recovery from the 2009 X-ray minimum, might have been the result of a decline in eta Car's wind momentum flux produced by a drop in eta Car's mass loss rate or wind terminal velocity (or some combination), though if so the change in wind momentum flux required to match the X-ray variation is surprisingly large.

  1. On the origin of pure optical rotation in twisted-cross metamaterials

    NASA Astrophysics Data System (ADS)

    Barr, Lauren E.; Díaz-Rubio, Ana; Tremain, Ben; Carbonell, Jorge; Sánchez-Dehesa, José; Hendry, Euan; Hibbins, Alastair P.

    2016-07-01

    We present an experimental and computational study of the response of twisted-cross metamaterials that provide near dispersionless optical rotation across a broad band of frequencies from 19 GHz to 37 GHz. We compare two distinct geometries: firstly, a bilayer structure comprised of arrays of metallic crosses where the crosses in the second layer are twisted about the layer normal; and secondly where the second layer is replaced by the complementary to the original, i.e. an array of cross-shaped holes. Through numerical modelling we determine the origin of rotatory effects in these two structures. In both, pure optical rotation occurs in a frequency band between two transmission minima, where alignment of electric and magnetic dipole moments occurs. In the cross/cross metamaterial, the transmission minima occur at the symmetric and antisymmetric resonances of the coupled crosses. By contrast, in the cross/complementary-cross structure the transmission minima are associated with the dipole and quadrupole modes of the cross, the frequencies of which appear intrinsic to the cross layer alone. Hence the bandwidth of optical rotation is found to be relatively independent of layer separation.

  2. The 17 GHz active region number

    SciTech Connect

    Selhorst, C. L.; Pacini, A. A.; Costa, J. E. R.; Giménez de Castro, C. G.; Valio, A.; Shibasaki, K.

    2014-08-01

    We report the statistics of the number of active regions (NAR) observed at 17 GHz with the Nobeyama Radioheliograph between 1992, near the maximum of cycle 22, and 2013, which also includes the maximum of cycle 24, and we compare with other activity indexes. We find that NAR minima are shorter than those of the sunspot number (SSN) and radio flux at 10.7 cm (F10.7). This shorter NAR minima could reflect the presence of active regions generated by faint magnetic fields or spotless regions, which were a considerable fraction of the counted active regions. The ratio between the solar radio indexes F10.7/NAR shows a similar reduction during the two minima analyzed, which contrasts with the increase of the ratio of both radio indexes in relation to the SSN during the minimum of cycle 23-24. These results indicate that the radio indexes are more sensitive to weaker magnetic fields than those necessary to form sunspots, of the order of 1500 G. The analysis of the monthly averages of the active region brightness temperatures shows that its long-term variation mimics the solar cycle; however, due to the gyro-resonance emission, a great number of intense spikes are observed in the maximum temperature study. The decrease in the number of these spikes is also evident during the current cycle 24, a consequence of the sunspot magnetic field weakening in the last few years.

  3. The role of molecular structure of sugar-phosphate backbone and nucleic acid bases in the formation of single-stranded and double-stranded DNA structures.

    PubMed

    Poltev, Valeri; Anisimov, Victor M; Danilov, Victor I; Garcia, Dolores; Sanchez, Carolina; Deriabina, Alexandra; Gonzalez, Eduardo; Rivas, Francisco; Polteva, Nina

    2014-06-01

    Our previous DFT computations of deoxydinucleoside monophosphate complexes with Na(+)-ions (dDMPs) have demonstrated that the main characteristics of Watson-Crick (WC) right-handed duplex families are predefined in the local energy minima of dDMPs. In this work, we study the mechanisms of contribution of chemically monotonous sugar-phosphate backbone and the bases into the double helix irregularity. Geometry optimization of sugar-phosphate backbone produces energy minima matching the WC DNA conformations. Studying the conformational variability of dDMPs in response to sequence permutation, we found that simple replacement of bases in the previously fully optimized dDMPs, e.g. by constructing Pyr-Pur from Pur-Pyr, and Pur-Pyr from Pyr-Pur sequences, while retaining the backbone geometry, automatically produces the mutual base position characteristic of the target sequence. Based on that, we infer that the directionality and the preferable regions of the sugar-phosphate torsions, combined with the difference of purines from pyrimidines in ring shape, determines the sequence dependence of the structure of WC DNA. No such sequence dependence exists in dDMPs corresponding to other DNA conformations (e.g., Z-family and Hoogsteen duplexes). Unlike other duplexes, WC helix is unique by its ability to match the local energy minima of the free single strand to the preferable conformations of the duplex.

  4. Free energy calculation of mechanically unstable but dynamically stabilized bcc titanium

    NASA Astrophysics Data System (ADS)

    Kadkhodaei, Sara; Hong, Qi-Jun; van de Walle, Axel

    2017-02-01

    The phase diagram of numerous materials of technological importance features high-symmetry high-temperature phases that exhibit phonon instabilities. Leading examples include shape-memory alloys, as well as ferroelectric, refractory, and structural materials. The thermodynamics of these phases have proven challenging to handle by atomistic computational thermodynamic techniques due to the occurrence of constant anharmonicity-driven hopping between local low-symmetry distortions, while maintaining a high-symmetry time-averaged structure. To compute the free energy in such phases, we propose to explore the system's potential-energy surface by discrete sampling of local minima by means of a lattice gas Monte Carlo approach and by continuous sampling by means of a lattice dynamics approach in the vicinity of each local minimum. Given the proximity of the local minima, it is necessary to carefully partition phase space by using a Voronoi tessellation to constrain the domain of integration of the partition function in order to avoid double counting artifacts and enable an accurate harmonic treatment near each local minima. We consider the bcc phase of titanium as a prototypical example to illustrate our approach.

  5. Influence of the size of a micro-cavity fabricated in an optical fiber using the femtosecond laser in a form of in-line Mach-Zehnder interferometer on its refractive index sensitivity

    NASA Astrophysics Data System (ADS)

    Janik, Monika; Koba, Marcin; Bock, Wojtek J.; Śmietana, Mateusz

    2016-12-01

    This paper discusses refractive index (n) measurement capabilities of micro-cavity with various diameters (d = 40, 54 and 60μm) fabricated in optical fibers by a femtosecond laser. The bottom of the cavity intersected the fiber's core and the Mach-Zehnder interferometer effect was induced, allowing the measurement of the n of the liquid filling the cavity. After filling the cavity, a set of minima can be observed in fiber transmission spectrum which shift with change in n. Fabricated sensors exhibit high and linear sensitivity, which in the range of n=1.3333 to 1.3500 RIU barely depends on the cavity diameter in case of first observed minima. Next for different micro-cavity diameters the minima do not overlap in refractive index domain thus it is impossible to compare them in terms of the sensitivity. The highest sensitivity of up to more than 27 000 nm/RIU was obtained for the smallest cavity and the third observed minimum.

  6. Smoothing of cost function leads to faster convergence of neural network learning

    NASA Astrophysics Data System (ADS)

    Xu, Li-Qun; Hall, Trevor J.

    1994-03-01

    One of the major problems in supervised learning of neural networks is the inevitable local minima inherent in the cost function f(W,D). This often makes classic gradient-descent-based learning algorithms that calculate the weight updates for each iteration according to (Delta) W(t) equals -(eta) (DOT)$DELwf(W,D) powerless. In this paper we describe a new strategy to solve this problem, which, adaptively, changes the learning rate and manipulates the gradient estimator simultaneously. The idea is to implicitly convert the local- minima-laden cost function f((DOT)) into a sequence of its smoothed versions {f(beta t)}Ttequals1, which, subject to the parameter (beta) t, bears less details at time t equals 1 and gradually more later on, the learning is actually performed on this sequence of functionals. The corresponding smoothed global minima obtained in this way, {Wt}Ttequals1, thus progressively approximate W-the desired global minimum. Experimental results on a nonconvex function minimization problem and a typical neural network learning task are given, analyses and discussions of some important issues are provided.

  7. Thermocapillary-driven motion of a sessile drop: effect of non-monotonic dependence of surface tension on temperature.

    PubMed

    Karapetsas, George; Sahu, Kirti Chandra; Sefiane, Khellil; Matar, Omar K

    2014-04-22

    We study the thermocapillary-driven spreading of a droplet on a nonuniformly heated substrate for fluids associated with a non-monotonic dependence of the surface tension on temperature. We use lubrication theory to derive an evolution equation for the interface that accounts for capillarity and thermocapillarity. The contact line singularity is relieved by using a slip model and a Cox-Voinov relation; the latter features equilibrium contact angles that vary depending on the substrate wettability, which, in turn, is linked to the local temperature. We simulate the spreading of droplets of fluids whose surface tension-temperature curves exhibit a turning point. For cases wherein these turning points correspond to minima, and when these minima are located within the droplet, then thermocapillary stresses drive rapid spreading away from the minima. This gives rise to a significant acceleration of the spreading whose characteristics resemble those associated with the "superspreading" of droplets on hydrophobic substrates. No such behavior is observed for cases in which the turning point corresponds to a surface tension maximum.

  8. Design of the inverse function delayed neural network for solving combinatorial optimization problems.

    PubMed

    Hayakawa, Yoshihiro; Nakajima, Koji

    2010-02-01

    We have already proposed the inverse function delayed (ID) model as a novel neuron model. The ID model has a negative resistance similar to Bonhoeffer-van der Pol (BVP) model and the network has an energy function similar to Hopfield model. The neural network having an energy can converge on a solution of the combinatorial optimization problem and the computation is in parallel and hence fast. However, the existence of local minima is a serious problem. The negative resistance of the ID model can make the network state free from such local minima by selective destabilization. Hence, we expect that it has a potential to overcome the local minimum problems. In computer simulations, we have already shown that the ID network can be free from local minima and that it converges on the optimal solutions. However, the theoretical analysis has not been presented yet. In this paper, we redefine three types of constraints for the particular problems, then we analytically estimate the appropriate network parameters giving the global minimum states only. Moreover, we demonstrate the validity of estimated network parameters by computer simulations.

  9. Power-law distributions for the areas of the basins of attraction on a potential energy landscape.

    PubMed

    Massen, Claire P; Doye, Jonathan P K

    2007-03-01

    Energy landscape approaches have become increasingly popular for analyzing a wide variety of chemical physics phenomena. Basic to many of these applications has been the inherent structure mapping, which divides up the potential energy landscape into basins of attraction surrounding the minima. Here, we probe the nature of this division by introducing a method to compute the basin area distribution and applying it to some archetypal supercooled liquids. We find that this probability distribution is a power law over a large number of decades with the lower-energy minima having larger basins of attraction. Interestingly, the exponent for this power law is approximately the same as that for a high-dimensional Apollonian packing, providing further support for the suggestion that there is a strong analogy between the way the energy landscape is divided into basins, and the way that space is packed in self-similar, space-filling hypersphere packings, such as the Apollonian packing. These results suggest that the basins of attraction provide a fractal-like tiling of the energy landscape, and that a scale-free pattern of connections between the minima is a general property of energy landscapes.

  10. New perspectives on contributing factors to the monthly behavior of the aa geomagnetic index

    NASA Astrophysics Data System (ADS)

    Mendoza, Blanca; Pazos, Marni; González, Luis Xavier

    2016-12-01

    We studied the Aa geomagnetic index ( aa index daily average) behavior on a monthly timescale using data from 1868 to 2015 for cycles 11-24. We identified solar- and lunar-associated periodicities in the Aa time series and found statistically significant Aa minima values a few days before the full Moon and high Aa values during the new Moon. When considering all the cycles, it was clear that the deepest Aa minima occurred during the Aa descending activity phase. However, when the cycles were separated according to the direction of the interplanetary magnetic field (IMF), the Aa minima came from the contribution of cycles with the IMF pointing toward the Sun (Type 1). Furthermore, during the descending phase of cycles with the IMF pointing away from the Sun (Type 2), the smallest Aa index values were found along with smaller changes compared to Type 1 cases. This behavior implies that during Type 1 cycles there are larger Aa perturbations than during Type 2 cycles. It is very likely that the mechanisms responsible for the Aa monthly behavior are a combination of solar and lunar effects that depend on several factors: (a) the Moon phases (new and full Moon), (b) the phase of the solar cycle (ascending or descending), and (c) the direction of the interplanetary magnetic field (away or toward the Sun).

  11. Minimum of the order parameter fluctuations of seismicity before major earthquakes in Japan.

    PubMed

    Sarlis, Nicholas V; Skordas, Efthimios S; Varotsos, Panayiotis A; Nagao, Toshiyasu; Kamogawa, Masashi; Tanaka, Haruo; Uyeda, Seiya

    2013-08-20

    It has been shown that some dynamic features hidden in the time series of complex systems can be uncovered if we analyze them in a time domain called natural time χ. The order parameter of seismicity introduced in this time domain is the variance of χ weighted for normalized energy of each earthquake. Here, we analyze the Japan seismic catalog in natural time from January 1, 1984 to March 11, 2011, the day of the M9 Tohoku earthquake, by considering a sliding natural time window of fixed length comprised of the number of events that would occur in a few months. We find that the fluctuations of the order parameter of seismicity exhibit distinct minima a few months before all of the shallow earthquakes of magnitude 7.6 or larger that occurred during this 27-y period in the Japanese area. Among the minima, the minimum before the M9 Tohoku earthquake was the deepest. It appears that there are two kinds of minima, namely precursory and nonprecursory, to large earthquakes.

  12. RECENT X-RAY VARIABILITY OF {eta} CARINAE: THE QUICK ROAD TO RECOVERY

    SciTech Connect

    Corcoran, M. F.; Hamaguchi, K.; Russell, C. M. P.; Owocki, S. P.; Parkin, E. R.; Okazaki, A.

    2010-12-20

    We report continued monitoring of the superluminous binary system {eta} Car by the Proportional Counter Array on the Rossi X-ray Timing Observatory (RXTE) through the 2009 X-ray minimum. The RXTE campaign shows that the minimum began on 2009 January 16, consistent with the phasings of the two previous minima, and overall, the temporal behavior of the X-ray emission was similar to that observed by RXTE in the previous two cycles. However, important differences did occur. The 2-10 keV X-ray flux and X-ray hardness decreased in the 2.5 year interval leading up to the 2009 minimum compared to the previous cycle. Most intriguingly, the 2009 X-ray minimum was about 1 month shorter than either of the previous two minima. During the egress from the 2009 minimum the X-ray hardness increased markedly as it had during egress from the previous two minima, although the maximum X-ray hardness achieved was less than the maximum observed after the two previous recoveries. We suggest that the cycle-to-cycle variations, especially the unexpectedly early recovery from the 2009 X-ray minimum, might have been the result of a decline in {eta} Car's wind momentum flux produced by a drop in {eta} Car's mass loss rate or wind terminal velocity (or some combination), though if so the change in wind momentum flux required to match the X-ray variation is surprisingly large.

  13. Suppression of generalized oscillator strengths in particular kinematic situations

    NASA Astrophysics Data System (ADS)

    Avdonina, N. B.; Pratt, R. H.

    2002-05-01

    We find suppression of generalized oscillator strengths (GOS) in electron excitation and ionization at small angles in various atomic targets, including excited atoms and ions, in particular kinematic situations. The suppression occurs in optically allowed transitions, and the reason for the effect is the same as for the existence of Cooper minima for these transitions in the photo processes. Since at small momentum transfer Q the dipole approximation is valid (independent of the approximation made for the incident and scattered electrons) GOSs are proportional to the optical oscillator strengths (OOS). Minima of the scattering matrix elements, corresponding to the Cooper minima of OOS, exist and do not depend on energy transfer in a large range of small Q [1,2]. We note also that many-electron correlations are very important in the calculation of small angle GOSs in the cases considered. We contrast our results with other findings. 1. X-M. Tong, L. Yang and J.-M. Li, Acta Physica Sinica 38, 398 (1989). 2. N.B. Avdonina, Msezane, A.Z., and Pratt, R.H., International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC), Santa Fe (New Mexico, USA) July 18 - 24 (2001), Abstracts.

  14. Vicinal dihalonium ions: diprotonated and dimethylated chlorine [H2Cl2(2+), (CH3)2Cl2(2+)] and bromine [H2Br2(2+), (CH3)2Br2(2+)] dications.

    PubMed

    Olah, George A; Prakash, G K Surya; Rasul, Golam

    2010-04-13

    High level ab initio calculations at the MP2/cc-pVTZ, CCSD(T)/cc-pVTZ, and CASSCF(6,6)/cc-pVTZ levels were performed to investigate geometries and energies of superelectrophilic diprotonated, and dimethylated molecular chlorine (Cl2) and bromine (Br2) dications. Diprotonated chlorine and diprotonated bromine dications 3a and 6a, respectively, were found to be lowest energy minima. The isomeric dications, 3b and 6b, are also minima on the potential energy surfaces but they are significantly less stable than the structures 3a and 6a by 33.6 and 30.9 kcal/mol, respectively. On the basis of computed G2 energies, proton affinities and related thermodynamic parameters were also calculated. Dications 3a and 6a have substantial kinetic barriers for deprotonation. Their homolytic dissociation are however facile. Dimethylated molecular chlorine and bromine dications 3g and 6g, respectively, were also found to be global energy minima. These vicinal dihalonium or the corresponding protosolvated species are expected to form either in the superacidic media or in the gas phase.

  15. Atomic clusters with addressable complexity

    NASA Astrophysics Data System (ADS)

    Wales, David J.

    2017-02-01

    A general formulation for constructing addressable atomic clusters is introduced, based on one or more reference structures. By modifying the well depths in a given interatomic potential in favour of nearest-neighbour interactions that are defined in the reference(s), the potential energy landscape can be biased to make a particular permutational isomer the global minimum. The magnitude of the bias changes the resulting potential energy landscape systematically, providing a framework to produce clusters that should self-organise efficiently into the target structure. These features are illustrated for small systems, where all the relevant local minima and transition states can be identified, and for the low-energy regions of the landscape for larger clusters. For a 55-particle cluster, it is possible to design a target structure from a transition state of the original potential and to retain this structure in a doubly addressable landscape. Disconnectivity graphs based on local minima that have no direct connections to a lower minimum provide a helpful way to visualise the larger databases. These minima correspond to the termini of monotonic sequences, which always proceed downhill in terms of potential energy, and we identify them as a class of biminimum. Multiple copies of the target cluster are treated by adding a repulsive term between particles with the same address to maintain distinguishable targets upon aggregation. By tuning the magnitude of this term, it is possible to create assemblies of the target cluster corresponding to a variety of structures, including rings and chains.

  16. Understanding diffusion and density anomaly in a coarse-grained model for water confined between hydrophobic walls.

    PubMed

    de los Santos, Francisco; Franzese, Giancarlo

    2011-12-08

    We study, by Monte Carlo simulations, a coarse-grained model of a water monolayer between hydrophobic walls at partial hydration, with a wall-to-wall distance of about 0.5 nm. We analyze how the diffusion constant parallel to the walls, D(∥), changes and correlates to the phase diagram of the system. We find a locus of D(∥) maxima and a locus of D(∥) minima along isotherms, with lines of constant D(∥) resembling the melting line of bulk water. The two loci of D(∥) extrema envelope the line of temperatures of density maxima at constant P. We show how these loci are related to the anomalous volume behavior due to the hydrogen bonds. At much lower T, confined water becomes subdiffusive, and we discuss how this behavior is a consequence of the increased correlations among water molecules when the hydrogen bond network develops. Within the subdiffusive region, although translations are largely hampered, we observe that the hydrogen bond network can equilibrate, and its rearrangement is responsible for the appearance of density minima along isobars. We clarify that the minima are not necessarily related to the saturation of the hydrogen bond network.

  17. Physical Properties and Evolution of the Eclipsing Binary System XZ Canis Minoris

    NASA Astrophysics Data System (ADS)

    Poochaum, R.; Komonjinda, S.; Soonthornthum, B.; Rattanasoon, S.

    2010-07-01

    This research aims to study the eclipse binary system so that its physical properties and evolution can be determined and used as an example to teach high school astronomy. The study of an eclipsing binary system XZ Canis Minoris (XZ CMi) was done at Sirindhorn Observatory, Chiang Mai University using a 0.5-meter reflecting telescope with CCD photometric system (2184×1417 pixel) in B V and R bands of UVB System. The data obtained were used to construct the light curve for each wavelength band and to compute the times of its light minima. New elements were derived using observations with linear to all available minima. As a result, linear ephemeris is HDJmin I = .578 808 948+/-0.000 000 121+2450 515.321 26+/-0.001 07 E, and the new orbital period of XZ CMi is 0.578 808 948+/-0.000 000 121 day. The values obtained were used with the previously published times of minima to get O-C curve of XZ CMi. The result revealed that the orbital period of XZ CMi is continuously decreased at a rate of 0.007 31+/-0.000 57 sec/year. This result indicates that the binary stars are moving closer continuously. From the O-C residuals, there is significant change to indicate the existence of the third body or magnetic activity cycle on the star. However, further analysis of the physical properties of XZ CMi is required.

  18. Hybridizing rapidly exploring random trees and basin hopping yields an improved exploration of energy landscapes.

    PubMed

    Roth, Christine-Andrea; Dreyfus, Tom; Robert, Charles H; Cazals, Frédéric

    2016-03-30

    The number of local minima of the potential energy landscape (PEL) of molecular systems generally grows exponentially with the number of degrees of freedom, so that a crucial property of PEL exploration algorithms is their ability to identify local minima, which are low lying and diverse. In this work, we present a new exploration algorithm, retaining the ability of basin hopping (BH) to identify local minima, and that of transition based rapidly exploring random trees (T-RRT) to foster the exploration of yet unexplored regions. This ability is obtained by interleaving calls to the extension procedures of BH and T-RRT, and we show tuning the balance between these two types of calls allows the algorithm to focus on low lying regions. Computational efficiency is obtained using state-of-the art data structures, in particular for searching approximate nearest neighbors in metric spaces. We present results for the BLN69, a protein model whose conformational space has dimension 207 and whose PEL has been studied exhaustively. On this system, we show that the propensity of our algorithm to explore low lying regions of the landscape significantly outperforms those of BH and T-RRT.

  19. Phase transitions in the distribution of inelastically colliding inertial particles

    NASA Astrophysics Data System (ADS)

    Belan, S.; Chernykh, A.; Falkovich, G.

    2016-01-01

    It was recently suggested that the direction of particle drift in inhomogeneous temperature or turbulence depends on the particle inertia: weakly inertial particles localize near minima of temperature or turbulence intensity (effects known as thermophoresis and turbophoresis), while strongly inertial particles fly away from minima in an unbounded space. The problem of a particle near minima of turbulence intensity is related to that of two particles in a random flow, so that the localization-delocalization transition in the former corresponds to the path-coalescence transition in the latter. The transition is signaled by the sign change of the Lyapunov exponent that characterizes the mean rate of particle approach to the minimum (a wall or another particle). Here we solve analytically this problem for inelastic collisions and derive the phase diagram for the transition in the inertia-inelasticity plane. An important feature of the diagram is the region of inelastic collapse: if the restitution coefficient β of particle velocity is smaller than the critical value {β }0={exp}(-π /\\sqrt{3}), then the particle is localized for any inertia. We present direct numerical simulations which support the theory and in addition reveal the dependence of the transition of the flow correlation time, characterized by the Stokes number.

  20. Conformational Characteristics of Poly(tetrafluoroethylene) (PTFE) Based Upon Ab Initio Electronic Structure Calculations on Model Molecules

    NASA Technical Reports Server (NTRS)

    Smith, Grant D.; Jaffe, R. L.; Yoon, D. Y.; Arnold, James O. (Technical Monitor)

    1994-01-01

    Conformational energy contours of perfluoroalkanes, determined from ab initio calculations, confirm the well-known spitting of trans states into two minima at plus or minus 17 degrees but also show that the gauche states split as well, with minima at plus or minus 124 degrees and plus or minus 84 in order to relieve steric crowding. The directions of such split distortions from the perfectly staggered states are strongly coupled for adjacent pairs of bonds in a manner identical to the intradyad pair for poly (isobutylene) chains. These conformational characteristics are fully represented by a six-state rotational isomeric state (RIS) model for PTFE comprised of t(+), t(-), g(sup +)+, g(sup +)-, g(sup -) + and g(sup -)-states, located at the split energy minima. The resultant 6 x 6 statistical weight matrix is described by first-order interaction parameters for the g+(+) (ca. 0.6 kcal/mol) and g+- (ca. 2.0 kcal/mol) states, and second order parameters for the g(sup +)+g(sup +)+ (ca 0.6 kcal/mol) and g(sup +)+g(sup -)+ (ca. 1.0 kcal/mol) states. This six-state RIS model, without adjustment of the geometric or energy parameters as determined from the ab initio calculations, predicts the unperturbed chain dimensions and the fraction of gauche bonds as a function of temperature for PTFE in good agreement with available experimental values.

  1. The first orbital parameters and period variation of the short-period eclipsing binary AQ Boo

    NASA Astrophysics Data System (ADS)

    Wang, Shuai; Zhang, Liyun; Pi, Qingfeng; Han, Xianming L.; Zhang, Xiliang; Lu, Hongpeng; Wang, Daimei; Li, TongAn

    2016-10-01

    We obtained the first VRI CCD light curves of the short-period contact eclipsing binary AQ Boo, which was observed on March 22 and April 19 in 2014 at Xinglong station of National Astronomical Observatories, and on January 20, 21 and February 28 in 2015 at Kunming station of Yunnan Observatories of Chinese Academy of Sciences, China. Using our six newly obtained minima and the minima that other authors obtained previously, we revised the ephemeris of AQ Boo. By fitting the O-C (observed minus calculated) values of the minima, the orbital period of AQ Boo shows a decreasing tendency P˙ = - 1.47(0.17) ×10-7 days/year. We interpret the phenomenon by mass transfer from the secondary (more massive) component to the primary (less massive) one. By using the updated Wilson & Devinney program, we also derived the photometric orbital parameters of AQ Boo for the first time. We conclude that AQ Boo is a near contact binary with a low contact factor of 14.43%, and will become an over-contact system as the mass transfer continues.

  2. An aircraft study of rapid precipitation development and electrification in a growing convective cloud

    NASA Astrophysics Data System (ADS)

    Willis, P. T.; Hallett, J.; Black, R. A.; Hendricks, W.

    The rapid initial precipitation growth and initial electrification of a convective cloud, growing as a new cell on the upshear side of a cloud system in Florida, is traced from radar data and aircraft penetrations at the -7°C to -10°C level. This study combines radar, microphysical and electrical measurements so that an examination of the interactions between the cloud dynamics, microphysics and electrification is possible. The first pass (-7°C) was characterized by a strong 23 m/s updraft, all liquid cloud water, no precipitation, and no significant electrification. In the 300 s between the two penetrations, precipitation developed very rapidly from < 15 dBZ to < 45 dBZ, and the vertical component of the electric field increased from below the measurement threshold to - 25 kv/m. The second penetration, which started at - 7°C and ended at - 10°C, was still exclusively updraft, but with lesser peak velocities and a more complex structure; i.e., no downdraft, but with relative minima in the updraft. The microphysics of the second pass displayed a segment of exclusively cloud liquid water (no precipitation size hydrometeors), a small segment of all liquid precipitation size hydrometeors, a small region of mixed hydrometeors and an extensive region of graupel hydrometeors, ranging in size from 100 μm to several mm. High cloud liquid water coexisted with the liquid and graupel hydrometeors in the strong updrafts. The electrification was observed to occur exclusively in the segments of the cloud pass where graupel were observed. Within this graupel region, where the graupel often coexisted with supercooled cloud liquid water, significant electric field occurred only at relative minima in the updraft. These relative velocity minima were also minima in the cloud liquid water content. The observed updraft velocities in these relative minima were close to balance velocities for the observed larger graupel hydrometeors. The strongest updrafts, where the formation and

  3. Chlorofluorocarbon distributions in the deep Argentine Basin

    SciTech Connect

    Warner, M.J. ); Weiss, R.F. ); Smethie, W.M. Jr. )

    1990-01-09

    The seawater concentrations of the chlorofluorocarbons (CFCs) F-11 and F-12 were measured in the Argentine Basin during the Abyssal Boundary Current Studies (1986) and the South Atlantic Ventilation Experiment (1988-89) expeditions. In most regions of the basin, the CFC concentrations are above the detection limit (0.015 pmol/kg) in the entire water column. The main features of the F-11 and F-12 profiles in the deep waters of the Argentine Basin are concentration mixima at depths of 2 to 3 km and generally increasing concentrations towards the bottom. The mid-depth CFC minima are associated with the salinity maximum of Circumpolar Deep Water (CDW). The higher CFC concentrations at the seafloor are correlated with the colder temperatures of Antarctic Bottom Water (AABW). The CFC concentrations in AABW are highest on the eastern portion of the basin along 47[degrees]S and along the southern and western boundaries. These distributions are consistent with a separation of the inflowing AABW into a cyclonic gyre in the eastern portion of the basin and a western boundary current which carries a detectable CFC singal as far noth as 17[degrees]S. Between CDW and AABW, there are local CFC maxima and minima which are not associated with extrema in other hydrographic properties. The local minima are found on a mean density of 46.07 [sigma][sub 4], which is the upper bound of the water entering the Argentine Basin from the Weddell Sea (Reid, Deep-Sea Res., 1989 submitted). The local CFC maxima are found at about the 46.00 [sigma][sub 4] isopycnal surface. Water of this density apparently is of circumpolar origin. The presence of these local CFC extrema in this density range carries information on the time-dependent vertical mixing in the deep Argentine Basin.

  4. Nuclear energy surfaces at high-spin in the A{approximately}180 mass region

    SciTech Connect

    Chasman, R.R.; Egido, J.L.; Robledo, L.M.

    1995-08-01

    We are studying nuclear energy surfaces at high spin, with an emphasis on very deformed shapes using two complementary methods: (1) the Strutinsky method for making surveys of mass regions and (2) Hartree-Fock calculations using a Gogny interaction to study specific nuclei that appear to be particularly interesting from the Strutinsky method calculations. The great advantage of the Strutinsky method is that one can study the energy surfaces of many nuclides ({approximately}300) with a single set of calculations. Although the Hartree-Fock calculations are quite time-consuming relative to the Strutinsky calculations, they determine the shape at a minimum without being limited to a few deformation modes. We completed a study of {sup 182}Os using both approaches. In our cranked Strutinsky calculations, which incorporate a necking mode deformation in addition to quadrupole and hexadecapole deformations, we found three well-separated, deep, strongly deformed minima. The first is characterized by nuclear shapes with axis ratios of 1.5:1; the second by axis ratios of 2.2:1 and the third by axis ratios of 2.9:1. We also studied this nuclide with the density-dependent Gogny interaction at I = 60 using the Hartree-Fock method and found minima characterized by shapes with axis ratios of 1.5:1 and 2.2:1. A comparison of the shapes at these minima, generated in the two calculations, shows that the necking mode of deformation is extremely useful for generating nuclear shapes at large deformation that minimize the energy. The Hartree-Fock calculations are being extended to larger deformations in order to further explore the energy surface in the region of the 2.9:1 minimum.

  5. Analysis of serpentinophytes from north-east of Portugal for trace metal accumulation--relevance to the management of mine environment.

    PubMed

    Freitas, H; Prasad, M N V; Pratas, J

    2004-03-01

    In north-east of Portugal, the serpentinized area is about 8000 ha with a characteristic geology and flora. The serpentine plant community and respective soils were analyzed to examine the trace metal budget in different tissues of the plants exhibiting resistance to trace metals. One hundred and thirty five plant species belonging to 39 families and respective soils have been analyzed for total Co, Cr, Cu, Fe, Mn, Ni, Pb and Zn. Substantial amounts of Ni, Cr, Co and Mn were detected in plant tissues which are listed below: NI: Alyssum serpyllifolium (38105); Bromus hordeaceus (1467); Linaria spartea (492); Plantago radicata (140); Lavandula stoechas (118) and Cistus salvifolius (114); CR: L. spartea (706.7); Ulmus procera (173.4); A. serpyllifolium (129.3); Cistus ladanifer (40.8); L. stoechas (29.5); P. radicata (27.81); Setariopsis verticillata (25.7); Plantago lanceolata (24); Digitalis purpurea (23.4); Logfia minima (23.1); Arenaria querioides (23); Hieracium peleteranum (22.7); Arenaria montana (14.5); CO: A. serpyllifolium (145.1); L. spartea (63.2); P. radicata (10.4); H. peleteranum (7.3); Lepidium heterophyllum (6.9); A. querioides (6.6); C. salvifolius (6.5); C. ladanifer (6.3); L. stoechas (6.1); Anthyllis lotoides (6.1); L. minima (6.1); Euphorbia falcata (5.7) and B. hordeaceus (5.6); MN: A. serpyllifolium (830); L. spartea (339); L. stoechas (187.1); L. minima (182.7); Castanea sativa (125); Spergula pentandra (124); P. radicata (119); Cytisus striatus (115.4); Quercus pyrenaica (110); Teucrium scorodonia (109.4); Fraxinus vulgaris (109); Anthyllis sampaiana (108); Quercus ilex (108). The significance of serpentine flora, need for conservation of these fragile and environmentally invaluable plant resources for possible use for in situ remediation of metalliferous substrates are presented in this paper.

  6. Thermodynamic stability in elastic systems: Hard spheres embedded in a finite spherical elastic solid.

    PubMed

    Solano-Altamirano, J M; Goldman, Saul

    2015-12-01

    We determined the total system elastic Helmholtz free energy, under the constraints of constant temperature and volume, for systems comprised of one or more perfectly bonded hard spherical inclusions (i.e. "hard spheres") embedded in a finite spherical elastic solid. Dirichlet boundary conditions were applied both at the surface(s) of the hard spheres, and at the outer surface of the elastic solid. The boundary conditions at the surface of the spheres were used to describe the rigid displacements of the spheres, relative to their initial location(s) in the unstressed initial state. These displacements, together with the initial positions, provided the final shape of the strained elastic solid. The boundary conditions at the outer surface of the elastic medium were used to ensure constancy of the system volume. We determined the strain and stress tensors numerically, using a method that combines the Neuber-Papkovich spherical harmonic decomposition, the Schwartz alternating method, and Least-squares for determining the spherical harmonic expansion coefficients. The total system elastic Helmholtz free energy was determined by numerically integrating the elastic Helmholtz free energy density over the volume of the elastic solid, either by a quadrature, or a Monte Carlo method, or both. Depending on the initial position of the hard sphere(s) (or equivalently, the shape of the un-deformed stress-free elastic solid), and the displacements, either stationary or non-stationary Helmholtz free energy minima were found. The non-stationary minima, which involved the hard spheres nearly in contact with one another, corresponded to lower Helmholtz free energies, than did the stationary minima, for which the hard spheres were further away from one another.

  7. The shallow donor wavefunction in Si: Corrections to the KL effective mass theory (EMT)

    NASA Astrophysics Data System (ADS)

    Castner, Theodore

    2007-03-01

    The ENDOR data of Hale & Mieher^1 (HM) provides detailed information on &*circ;ψ(Rnnm) at nearly 25 lattice sites for P, As, & Sb. Ivey & Mieher^2(IM) have given the most comprehensive calculation of ψ(r)= σA(k)uk(r)e^ik.r featuring a complex A(k) (and uk(r)) and higher conduction bands. IM could identify most of the sites and reduce the rms error between theory values and experimental results from 60% to 11%. However, the IM results are poor for the (1,1,1) site [shell E] and don't provide clear evidence for subsidiary minima^3 (L1,γ2^ ') from their region IV in the BZ. A reliable calculation of matrix elements is difficult because of the complicated core potential in the central cell. Using the equidistant matched lattice pair data [(3,3,3) & (1,1,5); shells C and Q] provides a good estimate of the % admixture from the L1 minima, somewhat smaller than in [3]. The IM ImA(k) and the L1 minima both provide corrections to the uniaxial strain id parameter^ 4. A data analysis for the odd lattice sites improves the agreement between theory and experiment. Important remaining theoretical issues will be discussed and new ENDOR experiments will be proposed. The corrections to EMT are important, but are smaller than implied in IM. 1) E.B. Hale & R.M. Mieher, Phys.Rev.184, 739, 751 (1969). 2) J.L. Ivey & R.M. Mieher, Phys.Rev.B11, 822 (1975). 3) T.G. Castner, Phys.Rev.B2, 4911 (1970). 4) E.B. Hale & T.G. Castner, Phys.Rev.B1, 4763 (1970).

  8. Design and implementation of non-linear image processing functions for CMOS image sensor

    NASA Astrophysics Data System (ADS)

    Musa, Purnawarman; Sudiro, Sunny A.; Wibowo, Eri P.; Harmanto, Suryadi; Paindavoine, Michel

    2012-11-01

    Today, solid state image sensors are used in many applications like in mobile phones, video surveillance systems, embedded medical imaging and industrial vision systems. These image sensors require the integration in the focal plane (or near the focal plane) of complex image processing algorithms. Such devices must meet the constraints related to the quality of acquired images, speed and performance of embedded processing, as well as low power consumption. To achieve these objectives, low-level analog processing allows extracting the useful information in the scene directly. For example, edge detection step followed by a local maxima extraction will facilitate the high-level processing like objects pattern recognition in a visual scene. Our goal was to design an intelligent image sensor prototype achieving high-speed image acquisition and non-linear image processing (like local minima and maxima calculations). For this purpose, we present in this article the design and test of a 64×64 pixels image sensor built in a standard CMOS Technology 0.35 μm including non-linear image processing. The architecture of our sensor, named nLiRIC (non-Linear Rapid Image Capture), is based on the implementation of an analog Minima/Maxima Unit. This MMU calculates the minimum and maximum values (non-linear functions), in real time, in a 2×2 pixels neighbourhood. Each MMU needs 52 transistors and the pitch of one pixel is 40×40 mu m. The total area of the 64×64 pixels is 12.5mm2. Our tests have shown the validity of the main functions of our new image sensor like fast image acquisition (10K frames per second), minima/maxima calculations in less then one ms.

  9. Spectral Modulation Effect in Teleseismic P-waves from North Korean Nuclear Tests Recorded in Broad Azimuthal Range and Possible Source Depth Estimation

    NASA Astrophysics Data System (ADS)

    Gitterman, Y.; Kim, S. G.; Hofstetter, R.

    2016-04-01

    Three underground nuclear explosions, conducted by North Korea in 2006, 2009 and 2013, are analyzed. The last two tests were recorded by the Israel Seismic Network. Pronounced coherent minima (spectral nulls) at 1.2-1.3 Hz were revealed in the spectra of teleseismic P -waves. For a ground-truth explosion with a shallow source depth, this phenomenon can be interpreted in terms of the interference between the down-going P-wave and the pP phase reflected from the Earth's surface. This effect was also observed at ISN stations for a Pakistan nuclear explosion at a different frequency 1.7 Hz and the PNE Rubin-2 in West Siberia at 1 Hz, indicating a source-effect and not a site-effect. Similar spectral minima having essentially the same frequency, as at ISN, were observed in teleseismic P-waves for all the three North Korean explosions recorded at networks and arrays in Kazakhstan (KURK), Norway (NNSN), Australia (ASAR, WRA) and Canada (YKA), covering a broad azimuthal range. Data of 2009 and 2013 tests at WRA and KURK arrays showed harmonic spectral modulation with three multiple minima frequencies, evidencing the clear interference effect. These observations support the above-mentioned interpretation. Based on the null frequency dependency on the near-surface acoustic velocity and the source depth, the depth of the North Korean tests was estimated about 2.0-2.1 km. It was shown that the observed null frequencies and the obtained source depth estimates correspond to P- pP interference phenomena in both cases of a vertical shaft or a horizontal drift in a mountain. This unusual depth estimation needs additional validation based on more stations and verification by other methods.

  10. Centennial eolian cyclicity in the Great Plains, USA: A dominant pattern of wind transport over the past 4000 years?

    USGS Publications Warehouse

    Schwalb, Antje; Dean, Walter E.; Fritz, C. Sherilyn; Geiss, Christoph E.; Kromer, Bernd

    2010-01-01

    Proxy evidence at decadal resolution from Late Holocene sediments from Pickerel Lake, northeastern South Dakota, shows distinct centennial cycles (400-700 years) in magnetic susceptibility; contents of carbonate, organic carbon, and major elements; abundance in ostracodes; and delta18O and delta13C values in calcite. Proxies indicate cyclic changes in eolian input, productivity, and temperature. Maxima in magnetic susceptibility are accompanied by maxima in aluminum and iron mass accumulation rates (MARs), and in abundances of the ostracode Fabaeformiscandona rawsoni. This indicates variable windy, and dry conditions with westerly wind dominance, including during the Medieval Climate Anomaly. Maxima in carbonates, organic carbon, phosphorous, and high delta13C values of endogenic calcite indicate moister and less windy periods with increased lake productivity, including during the Little Ice Age, and alternate with maxima of eolian transport. Times of the Maunder, Sporer and Wolf sunspot minima are characterized by maxima in delta18O values and aluminum MARs, and minima in delta13C values and organic carbon content. We interpret these lake conditions during sunspot minima to indicate decreases in lake surface water temperatures of up to 4-5 degrees C associated with decreases in epilimnetic productivity during summer. We propose that the centennial cycles are triggered by solar activity, originate in the tropical Pacific, and their onset during the Late Holocene is associated with insolation conditions driven by precession. The cyclic pattern is transmitted from the tropical Pacific into the atmosphere and transported by westerly winds into the North Atlantic realm where they strengthen the Atlantic Meridional Overturning Circulation during periods of northern Great Plains wind maxima. This consequently leads to moister climates in Central and Northern Europe. Thus, Pickerel Lake provides evidence for mechanisms of teleconnections including an atmospheric link

  11. Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (E)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, S-(2-nitrophenyl)-benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione

    PubMed

    Low; Storey; McCarron; Wardell; Ferguson; Glidewell

    2000-02-01

    In (E)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, C15H13NO2S (1) (orthorhombic Pbca), the nitro group is almost coplanar with the adjacent aryl ring, but the dihedral angles between the nitro-aryl and styryl fragments is approximately 121 degrees. The molecules are linked by paired C-H...O hydrogen bonds in a chain of rings. In S-(2-nitrophenyl)benzenecarbothiolate, C13H9NO3S (2) (monoclinic P2(1)/a), the nitro group is rotated by 33.0 (2) degrees out of the plane of the adjacent aryl ring and the thiobenzoate group is strongly twisted away from the plane of the disubstituted aryl ring. The molecules of (2) are linked into chains by C--H...O hydrogen bonds, and each chain is linked to two neighbouring chains by means of aromatic pi... pi stacking interactions. In 1-(2-nitrophenylthio)-2,5-pyrrolidinedione, C10H8N2O4S (3) (monoclinic P2(1)/a), the nitro group is again almost coplanar with the adjacent aryl ring, but the pyrrolidinedione unit is almost orthogonal to the O2NC6H4SN plane. There are three types of C-H...O hydrogen bond in the structure, and these link the molecules into a two-dimensional net. The conformations of these molecules have been investigated by SCF calculations and two energy minima have been identified for each: the molecules of (1) and (3) adopt conformations in their crystals which are close to those at the overall energy minima calculated for isolated molecules, while molecules of (2) adopt a conformation in the crystal close to that calculated for the local energy minimum. Comparisons are made with the structures of some related compounds and it is concluded that, while the nature of the two conformational minima is determined by intramolecular forces, the choice between them is determined primarily by intermolecular forces.

  12. Solar effects on circulation types over Europe: an analysis based on a large number of classifications

    NASA Astrophysics Data System (ADS)

    Huth, R.; Cahynová, M.; Kyselý, J.

    2010-09-01

    Recently, effects of the 11-year solar cycle on various aspects of tropospheric circulation in the Northern Hemisphere in winter have been recognized. One of our previous studies showed a significant solar effect on the frequency of synoptic types from the Hess-Brezowsky catalogue. Here, we use a large collection of varied classifications of circulation patterns, defined over central Europe, assembled within the COST733 Action "Harmonization and Applications of Weather Types Classifications for European Regions" to detect the solar effect on the frequency of synoptic types. The advantage of this multi-classification approach is that peculiarities or biases present in any single classification (catalogue) that might influence the detected solar signal are eliminated once a large ensemble of classifications is used. We divide winter months (December to March) into three groups according to the mean monthly solar activity, quantified by the solar 10.7 cm flux. The three groups correspond to the minima of the 11-year solar cycle, a moderate solar activity, and solar maxima. Within each group, frequencies of occurrence of individual circulation types are calculated. Differences in the occurrence of individual classes between solar activity groups indicate the presence of a solar activity effect on atmospheric circulation over Europe. Statistical significance of these differences is estimated by a block resampling method. An enhanced frequency under solar minima and a reduced frequency under solar maxima are observed almost exclusively for the types with easterly flow over central Europe. On the other hand, a reduced frequency under solar minima and an enhanced frequency under solar maxima are found for the types with westerly flow over central Europe. The research is supported by the Grant Agency of the Czech Academy of Sciences, project A300420805, and by the Ministry of Education, Youth, and Sports of the Czech Republic, contract OC115.

  13. Understanding Pd-Pd bond length variation in (PNP)Pd-Pd(PNP) dimers.

    PubMed

    Walensky, Justin R; Fafard, Claudia M; Guo, Chengyun; Brammell, Christina M; Foxman, Bruce M; Hall, Michael B; Ozerov, Oleg V

    2013-03-04

    Analysis of the structures of three (PNP)Pd-Pd(PNP) dimers [where PNP stands for anionic diarylamido/bis(phosphine) pincer ligands] has been carried out with the help of single-crystal X-ray diffractometry and density functional theory (DFT) calculations on isolated molecules. The three dimers under study possess analogous ancillary ligands; two of them differ only by an F versus Me substituent in a remote (five bonds away from Pd) position of the pincer ligand. Despite these close similarities, X-ray structural determinations revealed two distinct structural motifs: a highly symmetric molecule with a long Pd-Pd bond or a highly distorted molecule with Pd-Pd bonds ca. 0.14 Å shorter. DFT calculations on a series of (PNP)Pd-Pd(PNP) dimers (as molecules in the gas phase) confirmed the existence of these distinct minima for dimers carrying large isopropyl substituents on the P-donor atoms (as in the experimental structure). These minima are nearly isoergic conformers. Evidently, the electronically preferred symmetric structure for the dimer (with a square-planar environment about Pd and a linear N-Pd-Pd-N vector) is not sterically possible with the preferred Pd-Pd distance. Thus, the minima correspond to either a symmetric structure with a long Pd-Pd bond distance or a structure with a short Pd-Pd distance but with substantial distortions in the Pd coordination environment to alleviate steric conflict. This notion is supported by finding only a single minimum (symmetric and with short Pd-Pd bonds) for each of the dimers carrying smaller substituents (H or Me) on the P atoms, regardless of the remote substitution.

  14. Latitudinal Dependence of Coronal Hole-Associated Fast Solar Wind

    NASA Astrophysics Data System (ADS)

    Zhao, L.; Landi, E.

    2014-05-01

    The fast solar wind can have at least two different coronal sources: high-latitude, polar coronal holes (PCH) and low-latitude, equatorial coronal holes (ECH). The in-situ differences in the PCH and ECH winds have not been well studied, nor have the differences in their evolution over the solar cycles. Ulysses' 19 years of observations from 1990 to 2009, combined with ACE observations from 1998 to the present, provide us with measurements of solar wind properties that span two entire solar cycles, which allow us to study the in-situ properties and evolution of the coronal hole-associated solar wind at different latitudes. In this work, we focus on the PCH and ECH solar winds during the minima between solar cycles 22-23 and 23-24. We use data from SWICS, SWOOPS, and VHM/FGM on board Ulysses, and SWICS, SWEPAM, and MAG on board ACE to analyze the proton dynamics, heavy ion composition, elemental abundance, and magnetic field properties of the PCH wind and ECH wind, with a special focus on their differences during the recent two solar minima. We also include the slow and hot, streamer-associated (ST) wind as a reference in the comparison. The comparison of PCH and ECH wind shows that: 1) the in-situ properties of ECH and PCH winds are significantly different during the two solar minima, and 2) the two types of coronal hole-associated solar wind respond differently to changes in solar activity strength from cycle 23 to cycle 24.

  15. Experimental conformational energy maps of proteins and peptides.

    PubMed

    Balaji, Govardhan A; Nagendra, H G; Balaji, Vitukudi N; Rao, Shashidhar N

    2017-02-07

    We have presented an extensive analysis of the peptide backbone dihedral angles in the PDB structures and computed experimental Ramachandran plots for their distributions seen under a various constraints on X-ray resolution, representativeness at different sequence identity percentages, and hydrogen bonding distances. These experimental distributions have been converted into isoenergy contour plots using the approach employed previously by F. M. Pohl. This has led to the identification of energetically favored minima in the Ramachandran (ϕ, ψ) plots in which global minima are predominantly observed either in the right-handed α-helical or the polyproline II regions. Further, we have identified low energy pathways for transitions between various minima in the (ϕ,ψ) plots. We have compared and presented the experimental plots with published theoretical plots obtained from both molecular mechanics and quantum mechanical approaches. In addition, we have developed and employed a root mean square deviation (RMSD) metric for isoenergy contours in various ranges, as a measure (in kcal.mol(-1) ) to compare any two plots and determine the extent of correlation and similarity between their isoenergy contours. In general, we observe a greater degree of compatibility with experimental plots for energy maps obtained from molecular mechanics methods compared to most quantum mechanical methods. The experimental energy plots we have investigated could be helpful in refining protein structures obtained from X-ray, NMR, and electron microscopy and in refining force field parameters to enable simulations of peptide and protein structures that have higher degree of consistency with experiments. Proteins 2017. © 2017 Wiley Periodicals, Inc.

  16. On the Current Solar Magnetic Activity using Its Behavior During the Holocene

    NASA Astrophysics Data System (ADS)

    Inceoglu, Fadil; Simoniello, Rosaria; Faurschou Knudsen, Mads; Karoff, Christoffer; Olsen, Jesper; Turck-Chieze, Sylvaine

    2016-07-01

    Solar modulation potential (SMP) reconstructions based on cosmogenic nuclide records reflect changes in the open solar magnetic field and can therefore help us obtain information on the behavior of the open solar magnetic field over the Holocene period. Using the Greenland Ice Core Project (GRIP) ^{10}Be and IntCal13 ^{14}C records for the overlapping time period spanning between ˜1650 AD to 6600 BC, we first reconstructed the solar modulation potentials and subsequently investigate the statistics of peaks and dips simultaneously occurring in the two SMP reconstructions. Based on the distribution of these events, we propose a method to identify grand minima and maxima periods. We then aim at comparing the Sun's large-scale magnetic field behavior over the last three solar cycles with variations in the SMP reconstruction through the Holocene epoch. To achieve these objectives, we use the IntCal13 ^{14}C data to investigate distinct patterns in the occurrences of grand minima and maxima during the Holocene period. We then check whether these patterns might mimic the recent solar magnetic activity by investigating the evolution of the energy in the Sun's large-scale dipolar magnetic field using the Wilcox Solar Observatory data. The cosmogenic radionuclide data analysis shows that ˜71 % of grand maxima during the period from 6600 BC to 1650 AD were followed by a grand minimum. The characteristics of the occurrences of grand maxima and minima are consistent with the scenario in which the dynamical non-linearity induced by the Lorentz force leads the Sun to act as a relaxation oscillator. This finding implies that the probability for these events to occur is non-uniformly distributed in time, as there is a memory in their driving mechanism, which can be identified via the back-reaction of the Lorentz force.

  17. Understanding density functional theory (DFT) and completing it in practice

    SciTech Connect

    Bagayoko, Diola

    2014-12-15

    We review some salient points in the derivation of density functional theory (DFT) and of the local density approximation (LDA) of it. We then articulate an understanding of DFT and LDA that seems to be ignored in the literature. We note the well-established failures of many DFT and LDA calculations to reproduce the measured energy gaps of finite systems and band gaps of semiconductors and insulators. We then illustrate significant differences between the results from self consistent calculations using single trial basis sets and those from computations following the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). Unlike the former, the latter calculations verifiably attain the absolute minima of the occupied energies, as required by DFT. These minima are one of the reasons for the agreement between their results and corresponding, experimental ones for the band gap and a host of other properties. Further, we note predictions of DFT BZW-EF calculations that have been confirmed by experiment. Our subsequent description of the BZW-EF method ends with the application of the Rayleigh theorem in the selection, among the several calculations the method requires, of the one whose results have a full, physics content ascribed to DFT. This application of the Rayleigh theorem adds to or completes DFT, in practice, to preserve the physical content of unoccupied, low energy levels. Discussions, including implications of the method, and a short conclusion follow the description of the method. The successive augmentation of the basis set in the BZW-EF method, needed for the application of the Rayleigh theorem, is also necessary in the search for the absolute minima of the occupied energies, in practice.

  18. Evolution of cooperation with shared costs and benefits.

    PubMed

    Brown, Joel S; Vincent, Thomas L

    2008-09-07

    The quest to determine how cooperation evolves can be based on evolutionary game theory, in spite of the fact that evolutionarily stable strategies (ESS) for most non-zero-sum games are not cooperative. We analyse the evolution of cooperation for a family of evolutionary games involving shared costs and benefits with a continuum of strategies from non-cooperation to total cooperation. This cost-benefit game allows the cooperator to share in the benefit of a cooperative act, and the recipient to be burdened with a share of the cooperator's cost. The cost-benefit game encompasses the Prisoner's Dilemma, Snowdrift game and Partial Altruism. The models produce ESS solutions of total cooperation, partial cooperation, non-cooperation and coexistence between cooperation and non-cooperation. Cooperation emerges from an interplay between the nonlinearities in the cost and benefit functions. If benefits increase at a decelerating rate and costs increase at an accelerating rate with the degree of cooperation, then the ESS has an intermediate level of cooperation. The game also exhibits non-ESS points such as unstable minima, convergent-stable minima and unstable maxima. The emergence of cooperative behaviour in this game represents enlightened self-interest, whereas non-cooperative solutions illustrate the Tragedy of the Commons. Games having either a stable maximum or a stable minimum have the property that small changes in the incentive structure (model parameter values) or culture (starting frequencies of strategies) result in correspondingly small changes in the degree of cooperation. Conversely, with unstable maxima or unstable minima, small changes in the incentive structure or culture can result in a switch from non-cooperation to total cooperation (and vice versa). These solutions identify when human or animal societies have the potential for cooperation and whether cooperation is robust or fragile.

  19. Design of block-copolymer-based micelles for active and passive targeting

    NASA Astrophysics Data System (ADS)

    Lebouille, Jérôme G. J. L.; Leermakers, Frans A. M.; Cohen Stuart, Martien A.; Tuinier, Remco

    2016-10-01

    A self-consistent field study is presented on the design of active and passive targeting block-copolymeric micelles. These micelles form in water by self-assembly of triblock copolymers with a hydrophilic middle block and two hydrophobic outer blocks. A minority amount of diblock copolymers with the same chemistry is taken to coassemble into these micelles. At the end of the hydrophilic block of the diblock copolymers, a targeting moiety (TM) is present. Assuming that the rotation of the micelle towards the target is sufficiently fast, we can elaborate a single gradient cell model, wherein the micelle is in the center and the receptor (R) substrate exists on the outer plane of the spherical coordinate system. The distribution function of the targeting moiety corresponds to a Landau free energy with local minima and corresponding maxima. The lowest minimum, which is the ground state, shifts from within the micelle to the adsorbing state upon bringing the substrate closer to the micelle, implying a jumplike translocation of the targeting moiety. Equally deep minima represent the binodal of the phase transition, which is, due to the finite chain length, first-order like. The maximum in-between the two relevant minima implies that there is an activation barrier for the targeting moiety to reach the receptor surface. We localize the parameter space wherein the targeting moiety is (when the micelle is far from the target) preferably hidden in the stealthy hydrophilic corona of the micelle, which is desirable to avoid undesired immune responses, and still can jump out of the corona to reach the target quick enough, that is, when the barrier height is sufficiently low. The latter requirement may be identified by a spinodal condition. We found that such hidden TMs can still establish a TM-R contact at distances up to twice the corona size. The translocation transition will work best when the affinity of the TM for the core is avoided and when hydrophilic TMs are selected.

  20. Vortex dynamics differences due to twin-boundary pinning anisotropy in Y Ba2 Cu3 Ox at low temperatures for H‖ab planes

    NASA Astrophysics Data System (ADS)

    Salem-Sugui, S., Jr.; Alvarenga, A. D.; Friesen, M.; Goretta, K. C.; Schilling, O. F.; Gandra, F. G.; Veal, B. W.; Paulikas, P.

    2005-01-01

    We measured the magnetization M of a twin-aligned single crystal of YBa2Cu3Ox (YBaCuO), with Tc=91K , as a function of temperature T and magnetic field H , with H applied along the ab planes. Isothermal M -vs- H and M -vs-time curves were obtained with H applied parallel (‖) and perpendicular (⊥) to the twin boundary (TB) direction. M -vs- H curves exhibited two minima below 38K , which resembled similar curves that have been obtained in YBaCuO for H‖c axis. Above 12K , the field positions of the minima for H‖TB and H⊥TB were quite similar. Below 12K , the position of the second minimum Hmin occurred at a higher field value with H‖TB . Below 6K , only one minimum appeared for both field directions. At low temperatures, these minima in the M -vs- H curves produced maxima in the critical current. It was determined that vortex lines were expelled more easily for H‖TB than for H⊥TB and, therefore, below a certain field value, that Jc(H⊥TB) was larger than Jc(H‖TB) . At T<12K with H‖TB , the relaxation rate for flux lines leaving the crystal was found to be different from that for flux entering the crystal. We also observed flux jumps at low temperatures, with their sizes depending on the orientation of magnetic field with respect to the TB’s.

  1. Evolution of dark state of an open atomic system in constant intensity laser field

    SciTech Connect

    Krmpot, A. J.; Radonjic, M.; Cuk, S. M.; Nikolic, S. N.; Grujic, Z. D.; Jelenkovic, B. M.

    2011-10-15

    We studied experimentally and theoretically the evolution of open atomic systems in the constant intensity laser field. The study is performed by analyzing the line shapes of Hanle electromagnetically induced transparency (EIT) obtained in different segments of a laser beam cross section of constant intensity, i.e., a {Pi}-shaped laser beam. Such Hanle EIT resonances were measured using a small movable aperture placed just in front of the photodetector, i.e., after the entire laser beam had passed through the vacuum Rb cell. The laser was locked to the open transition F{sub g}=2{yields}F{sub e}=1 at the D{sub 1} line of {sup 87}Rb with laser intensities between 0.5 and 4 mW/cm{sup 2}. This study shows that the profile of the laser beam determines the processes governing the development of atomic states during the interaction. The resonances obtained near the beam center are narrower than those obtained near the beam edge, but the significant changes of the linewidths occur only near the beam edge, i.e., right after the atom enters the beam. The Hanle EIT resonances obtained near the beam center exhibit two pronounced minima next to the central maximum. The theoretical model reveals that the occurrence of these transmission minima is a joint effect of the preparation of atoms into the dark state and the optical pumping into the uncoupled ground level F{sub g}=1. The appearance of the transmission minima, although similar to that observed in the wings of a Gaussian beam [A. J. Krmpot et al., Opt. Express 17, 22491 (2009)], is of an entirely different nature for the {Pi}-shaped laser beam.

  2. Rivaling the World's Smallest Reptiles: Discovery of Miniaturized and Microendemic New Species of Leaf Chameleons (Brookesia) from Northern Madagascar

    PubMed Central

    Glaw, Frank; Köhler, Jörn; Townsend, Ted M.; Vences, Miguel

    2012-01-01

    Background One clade of Malagasy leaf chameleons, the Brookesia minima group, is known to contain species that rank among the smallest amniotes in the world. We report on a previously unrecognized radiation of these miniaturized lizards comprising four new species described herein. Methodology/Principal Findings The newly discovered species appear to be restricted to single, mostly karstic, localities in extreme northern Madagascar: Brookesia confidens sp. n. from Ankarana, B. desperata sp. n. from Forêt d'Ambre, B. micra sp. n. from the islet Nosy Hara, and B. tristis sp. n. from Montagne des Français. Molecular phylogenetic analyses based on one mitochondrial and two nuclear genes of all nominal species in the B. minima group congruently support that the four new species, together with B. tuberculata from Montagne d'Ambre in northern Madagascar, form a strongly supported clade. This suggests that these species have diversified in geographical proximity in this small area. All species of the B. minima group, including the four newly described ones, are characterized by very deep genetic divergences of 18–32% in the ND2 gene and >6% in the 16S rRNA gene. Despite superficial similarities among all species of this group, their status as separate evolutionary lineages is also supported by moderate to strong differences in external morphology, and by clear differences in hemipenis structure. Conclusion/Significance The newly discovered dwarf chameleon species represent striking cases of miniaturization and microendemism and suggest the possibility of a range size-body size relationship in Malagasy reptiles. The newly described Brookesia micra reaches a maximum snout-vent length in males of 16 mm, and its total length in both sexes is less than 30 mm, ranking it among the smallest amniote vertebrates in the world. With a distribution limited to a very small islet, this species may represent an extreme case of island dwarfism. PMID:22348069

  3. A New Scenario for the Production of Weak Bipolar Fields in Space: "Notch" Instabilities Resulting From Electron Velocity Dispersion*

    NASA Astrophysics Data System (ADS)

    Newman, D. L.; Goldman, M. V.

    2007-05-01

    The bipolar signatures of weak (eφmax/Te ≪ 1) electron phase-space holes have now been observed in numerous near-Earth space-plasma environments such as the polar cusp region1 and the solar wind2 at 1 AU. While families of stationary solutions of the Vlasov-Poisson equations consistent with these observations have been found,3 the question of how shallow phase-space density depressions supporting these bipolar fields form remains an open one. While strong bipolar fields associated with deep phase-space holes in Earth auroral downward-current region are consistent with saturated two-stream instabilities resulting from double-layer electron acceleration,4 the weak bipolar fields observed in other space environments may require an alternative generation mechanism. One such mechanism involves the formation of narrow minima in the electron velocity-space distribution resulting from stretching due to velocity dispersion of phase-space density minima that are initially localized in physical space (e.g., constant-density regions with temperatures greater than their surroundings). These velocity-space minima, which become narrower as they are dispersively stretched, eventually cross the threshold condition for a "notch" instability, which saturates by forming an expanding series of shallow phase-space holes and their associated weak bipolar fields. 1-D Vlasov-Poisson simulations show that this process can be a robust mechanism for generating a large ensemble of shallow holes. Simulations with different background electron distributions show that the properties of the holes that form depend sensitively on the characteristics of the embedding plasma environment. * Research supported by NSF, NASA, and DOE. 1 J. R. Franz, et al., JGR, 110, doi:10.1029/2005JA011095 (2005). 2 A. Mangeney, private communication. 3 M. V. Goldman, et al., this meeting. 4 R. E. Ergun, et al., PRL, 87, 045003 (2001); D. L. Newman, et al. PRL, 87, 255001 (2001).

  4. Phenomenological modeling of the light curves of algol-type eclipsing binary stars

    NASA Astrophysics Data System (ADS)

    Andronov, I. L.

    2012-12-01

    We propose a special class of functions for mathematical modeling of periodic signals of a special type with a nonuniform distribution of the arguments. This method has been developed for determining the phenomenological characteristics of light curves required for listing in the "General Catalog of Variable Stars" (GCVS) and other data bases. For eclipsing binary stars with smooth light curves (types EB and EW) a trigonometric polynomial of optimal degree in a complete or symmetric form is recommended. For eclipsing binary systems with relatively narrow minima, approximating the light curves by a class of nonpolynomial spline functions is statistically optimal. A combination of a second order trigonometric polynomial (TP2, which describes "reflection", ellipsoidal" and "spotting" effects) and localized contributions of the minima (parametrized with respect to depth and profile separately for the primary and secondary minima) is used. This approach is characterized by a statistical accuracy of the smoothing curve that is a factor of ~1.5-2 times better than for a trigonometric polynomial of statistically optimal degree, and by the absence of false "waves" in the light curve associated with the Gibbs effect. Besides finding the width of the minimum, which cannot be determined using a trigonometric polynomial approximation, this method can be used to determine its depth with better accuracy, and to separate the effects of the eclipse and the part outside the eclipse. For multicolor observations, the improved accuracy of the smoothing curve for each filter makes it possible to obtain more accurate plots of the variation in the color index. The efficiency of the proposed method increases as the width of the eclipse becomes smaller. This method supplements the trigonometric polynomial approximation. The method, referred to as the NAV (New Algol Variable) method, is illustrated by applying it to the eclipsing binary systems VSX J022427.8-104034=USNO-B1.0 0793-0023471 and

  5. Detailed Structure of the Tropical Upper Troposphere and Lower Stratosphere as Revealed by Balloon Sonde Observations of Water Vapor, Ozone, Temperature, and Winds During the NASA TCSP and TC4 Campaigns

    NASA Technical Reports Server (NTRS)

    Selkirk, Henry B.; Vomel, Holger; Canossa, Jessica Maria Valverde; Pfister, Leonhard; Diaz, Jorge Andres; Fernandez, Walter; Amador, Jorge; Stolz, Werner; Peng, Grace S.

    2010-01-01

    We report on balloon sonde measurements of water vapor and ozone using the cryogenic frost point hygrometer and electrochemical concentration cell ozonesondes made at Alajuela, Costa Rica (10.0 N, 84.2 W) during two NASA airborne campaigns: the Tropical Convective Systems and Processes (TCSP) mission in July 2005 and the Tropical Composition, Clouds, and Climate Coupling Experiment (TC4), July - August 2007. In both campaigns we found an upper troposphere that was frequently supersaturated but no evidence that deep convection had reached the tropopause. The balloon sondes were complemented by campaigns of 4 times daily high-resolution radiosondes from mid-June through mid-August in both years. The radiosonde data reveal vertically propagating equatorial waves that caused a large increase in the variability of temperature in the tropical tropopause layer (TTL). These waves episodically produced cold point tropopauses (CPTs) above 18 km, yet in neither campaign was saturation observed above approx 380 K or 17 km. The averages of the water vapor minima below this level were 5.2 ppmv in TCSP and 4.8 ppmv in TC4, and the individual profile minima all lay at or above approx 360 K. The average minima in this 360 C380 K layer provide a better estimate of the effective stratospheric entry value than the average mixing ratio at the CPT. We refer to this upper portion of the TTL as the tropopause saturation layer and consider it to be the locus of the final dehydration of nascent stratospheric air. As such, it is the local equivalent to the tape head of the water vapor tape recorder.

  6. A working hypothesis for connections between electrically-induced changes in cloud microphysics and storm vorticity, with possible effects on circulation

    NASA Astrophysics Data System (ADS)

    Tinsley, Brian A.

    2012-09-01

    This paper outlines, and explores the uncertainties in, hypothesized connections between a series of processes that could explain two long-standing puzzles; those of (1) the observed winter storm vorticity responses to atmospheric energy inputs that change the ionosphere-earth current density, Jz, that appear to involve storm invigoration, and (2) changes in anti-cyclonic blocking and circulation that include the observed colder winters in Great Britain and western Europe at solar minima, and especially at extended solar minima. A working hypothesis for the mechanism responsible for (1) is that the flow of Jz through conductivity gradients, as in stratified cloud layers and fog, especially with sea-salt aerosol haze over the high latitude winter oceans, deposits electric changes on droplets and aerosol particles; most importantly on cloud condensation nuclei (CCN). These electric charges modulate scavenging of the particles in clouds and haze layers, increasing the concentration of small CCN and decreasing the concentration of large CCN. When further cloud formation occurs there is increased concentration of small droplets and decreased concentration of large ones, reducing coalescence and the production of rain. Thus updrafts carry more liquid water above the freezing level, and there the increased production of ice releases more latent heat and invigorates the updraft (the Rosenfeld mechanism), leading to increased vorticity. Here we explore the major uncertainties for the reality of the above chain of physical processes. A consequence of cumulative cyclonic vorticity increases is increases in downstream anti-cyclonic blocking. A further working hypothesis for (2) is that the invigoration may be large enough to contribute to the observed increases in blocking in winters at solar minima (high Jz) in the North Atlantic, that result in colder winters in the UK and northern Europe.

  7. In-stream biotic control on nutrient biogeochemistry in a forested stream, West Fork of Walker Branch

    NASA Astrophysics Data System (ADS)

    Roberts, Brian J.; Mulholland, Patrick J.

    2007-12-01

    A growing body of evidence demonstrates the importance of in-stream processing in regulating nutrient export, yet the influence of temporal variability in stream metabolism on net nutrient uptake has not been explicitly addressed. Stream water DIN and SRP concentrations in Walker Branch, a first-order deciduous forest stream in eastern Tennessee, show a repeated pattern of annual maxima in summer and biannual minima in spring and autumn. Temporal variations in catchment hydrologic flow paths result in lower winter and higher summer nutrient concentrations, but do not explain the spring and autumn nutrient minima. Ambient nutrient uptake rates were measured 2-3 times per week over an 18-month period and compared to daily rates of gross primary production (GPP) and ecosystem respiration (ER) to examine the influence of in-stream biotic activity on nutrient export. GPP and ER rates explained 81% of the variation in net DIN retention with high net NO3- uptake (and lower net NH4+ release) rates occurring during spring and autumn and net DIN release in summer. Diel nutrient concentration patterns were examined several times throughout the year to determine the relative importance of autotrophic and heterotrophic activity on net nutrient uptake. High spring GPP corresponded to daily decreases in NO3- over the illuminated hours resulting in high diel NO3- amplitude which dampened as the canopy closed. GPP explained 91% of the variance in diel NO3- amplitude. In contrast, the autumn nutrient minima was largely explained by heterotrophic respiration since GPP remained low and little diel NO3- variation was observed during the autumn.

  8. Global triplet potential energy surfaces for the N2(X(1)Σ) + O((3)P) → NO(X(2)Π) + N((4)S) reaction.

    PubMed

    Lin, Wei; Varga, Zoltan; Song, Guoliang; Paukku, Yuliya; Truhlar, Donald G

    2016-01-14

    This work presents two global triplet potential energy surfaces (PESs) for the high-energy reaction N2(X(1)Σ) + O((3)P) → NO(X(2)Π) + N((4)S)-in particular, for the lowest energy (3)A' and (3)A″ PESs. In order to obtain the energies needed for fitting analytic surfaces, we carried out multireference configuration interaction (MRCI) calculations based on wave functions obtained from state-averaged complete active space self-consistent field calculations for 2280 geometries for the three lowest (3)A″ states and for 2298 geometries for the three lowest (3)A' states. The lowest-energy (3)A' and (3)A″ states at each of these geometries were then improved by applying the dynamically scaled external correlation (DSEC) method to all MRCI points, and the resulting DSEC energies were used for construction of the ground-state PES for each symmetry. The many-body component of the DSEC energies for the three-dimensional (3)A' and (3)A″ PESs was then least-squares fitted in terms of permutationally invariant polynomials in mixed exponential-Gaussian bond order variables. The global and local minima as well as the transition structures of both the (3)A' and the (3)A″ analytic PES were explored. In agreement with previous work, we find that the reverse reaction is barrierless on the (3)A″ surface along the minimum energy pathway. However, we have explored several new local minima and transition structures on the (3)A' PES. Furthermore, based on the newly found minima and transition structures, two independent reaction mechanisms have been illustrated for the reaction path on the (3)A' PES. The analytic surfaces may be used for dynamics calculations of electronically adiabatic reactive scattering and energy transfer.

  9. Time series analysis of collective motions in proteins

    NASA Astrophysics Data System (ADS)

    Alakent, Burak; Doruker, Pemra; ćamurdan, Mehmet C.

    2004-01-01

    The dynamics of α-amylase inhibitor tendamistat around its native state is investigated using time series analysis of the principal components of the Cα atomic displacements obtained from molecular dynamics trajectories. Collective motion along a principal component is modeled as a homogeneous nonstationary process, which is the result of the damped oscillations in local minima superimposed on a random walk. The motion in local minima is described by a stationary autoregressive moving average model, consisting of the frequency, damping factor, moving average parameters and random shock terms. Frequencies for the first 50 principal components are found to be in the 3-25 cm-1 range, which are well correlated with the principal component indices and also with atomistic normal mode analysis results. Damping factors, though their correlation is less pronounced, decrease as principal component indices increase, indicating that low frequency motions are less affected by friction. The existence of a positive moving average parameter indicates that the stochastic force term is likely to disturb the mode in opposite directions for two successive sampling times, showing the modes tendency to stay close to minimum. All these four parameters affect the mean square fluctuations of a principal mode within a single minimum. The inter-minima transitions are described by a random walk model, which is driven by a random shock term considerably smaller than that for the intra-minimum motion. The principal modes are classified into three subspaces based on their dynamics: essential, semiconstrained, and constrained, at least in partial consistency with previous studies. The Gaussian-type distributions of the intermediate modes, called "semiconstrained" modes, are explained by asserting that this random walk behavior is not completely free but between energy barriers.

  10. Theoretical study of gallium nitride molecules, GaN2 and GaN4.

    PubMed

    Tzeli, Demeter; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D

    2008-09-18

    The electronic and geometric structures of gallium dinitride GaN 2, and gallium tetranitride molecules, GaN 4, were systematically studied by employing density functional theory and perturbation theory (MP2, MP4) in conjunction with the aug-cc-pVTZ basis set. In addition, for the ground-state of GaN 4( (2)B 1) a density functional theory study was carried out combining different functionals with different basis sets. A total of 7 minima have been identified for GaN 2, while 37 structures were identified for GaN 4 corresponding to minima, transition states, and saddle points. We report geometries and dissociation energies for all the above structures as well as potential energy profiles, potential energy surfaces and bonding mechanisms for some low-lying electronic states of GaN 4. The dissociation energy of the ground-state GaN 2 ( X (2)Pi) is 1.1 kcal/mol with respect to Ga( (2)P) + N 2( X (1)Sigma g (+)). The ground-state and the first two excited minima of GaN 4 are of (2)B 1( C 2 v ), (2)A 1( C 2 v , five member ring), and (4)Sigma g (-)( D infinityh ) symmetry, respectively. The dissociation energy ( D e) of the ground-state of GaN 4, X (2)B 1, with respect to Ga( (2)P) + 2 N 2( X (1)Sigma g (+)), is 2.4 kcal/mol, whereas the D e of (4)Sigma g (-) with respect to Ga( (4)P) + 2 N 2( X (1)Sigma g (+)) is 17.6 kcal/mol.

  11. Ground-based detectability of terrestrial and Jovian extrasolar planets: Observations of CM Draconis at Lick Observatory

    NASA Astrophysics Data System (ADS)

    Doyle, Laurance R.; Dunham, Edward T.; Deeg, Hans-Jörg; Blue, J. Ellen; Jenkins, Jon M.

    The detection of terrestrial-sized extrasolar planets from the ground has been thought to be virtually impossible due to atmospheric scintillation limits. However, we show that this is not the case for specially selected (but nevertheless main sequence) stars, namely small eclipsing binaries. For the smallest of these systems, CM Draconis, several months to a few years of photometric observations with 1-m-class telescopes will be sufficient to detect the transits of any short-period planets of sizes >=1.5 Earth radii (RE), using cross-correlation analysis with moderately good photometry. Somewhat larger telescopes will be needed to extend this detectability to terrestrial planets in larger eclipsing binary systems. (We arbitrarily define ``terrestrial planets'' herein as those whose disc areas are closer to that of Earth's than Neptune's i.e., less than about 2.78 RE.) As a ``spin-off'' of such observations, we will also be able to detect the presence of Jovian-mass planets without transits using the timing of the eclipse minima. Eclipse minima will drift in time as the binary system is offset by a sufficiently massive planet (i.e., one Jupiter mass) about the binary/giant-planet barycenter, causing a periodic variation in the light travel time to the observer. We present here an outline of present observations taking place at the University of California Lick Observatory using the Crossley 0.9-m telescope in collaboration with other observatories (in South Korea, Crete, France, Canary Islands, and New York) to detect or constrain the existence of terrestrial planets around main sequence eclipsing binary star systems, starting with CM Draconis. We demonstrate the applicability of photometric data to the general detection of gas giant planets via eclipse minima timings in many other small-mass eclipsing binary systems as well.

  12. Ground-based detectability of terrestrial and Jovian extrasolar planets: observations of CM Draconis at Lick Observatory.

    PubMed

    Doyle, L R; Dunham, E T; Deeg, H J; Blue, J E; Jenkins, J M

    1996-06-25

    The detection of terrestrial-sized extrasolar planets from the ground has been thought to be virtually impossible due to atmospheric scintillation limits. However, we show that this is not the case especially selected (but nevertheless main sequence) stars, namely small eclipsing binaries. For the smallest of these systems, CM Draconis, several months to a few years of photometric observations with 1-m-class telescopes will be sufficient to detect the transits of any short-period planets of sizes > or = 1.5 Earth radii (RE), using cross-correlation analysis with moderately good photometry. Somewhat larger telescopes will be needed to extend this detectability to terrestrial planets in larger eclipsing binary systems. (We arbitrarily define "terrestrial planets" herein as those whose disc areas are closer to that of Earth's than Neptune's i.e., less than about 2.78 RE.) As a "spin-off" of such observations, we will also be able to detect the presence of Jovian-mass planets without transits using the timing of the eclipse minima. Eclipse minima will drift in time as the binary system is offset by a sufficiently massive planet (i.e., one Jupiter mass) about the binary/giant-planet barycenter, causing a periodic variation in the light travel time to the observer. We present here an outline of present observations taking place at the University of California Lick Observatory using the Crossley 0.9-m telescope in collaboration with other observatories (in South Korea, Crete, France, Canary Islands, and New York) to detect or constrain the existence of terrestrial planets around main sequence eclipsing binary star systems, starting with CM Draconis. We demonstrate the applicability of photometric data to the general detection of gas giant planets via eclipse minima timings in many other small-mass eclipsing binary systems as well.

  13. Global triplet potential energy surfaces for the N{sub 2}(X{sup 1}Σ) + O({sup 3}P) → NO(X{sup 2}Π) + N({sup 4}S) reaction

    SciTech Connect

    Lin, Wei; Varga, Zoltan; Song, Guoliang; Paukku, Yuliya; Truhlar, Donald G.

    2016-01-14

    This work presents two global triplet potential energy surfaces (PESs) for the high-energy reaction N{sub 2}(X{sup 1}Σ) + O({sup 3}P) → NO(X{sup 2}Π) + N({sup 4}S)—in particular, for the lowest energy {sup 3}A′ and {sup 3}A″ PESs. In order to obtain the energies needed for fitting analytic surfaces, we carried out multireference configuration interaction (MRCI) calculations based on wave functions obtained from state-averaged complete active space self-consistent field calculations for 2280 geometries for the three lowest {sup 3}A″ states and for 2298 geometries for the three lowest {sup 3}A′ states. The lowest-energy {sup 3}A′ and {sup 3}A″ states at each of these geometries were then improved by applying the dynamically scaled external correlation (DSEC) method to all MRCI points, and the resulting DSEC energies were used for construction of the ground-state PES for each symmetry. The many-body component of the DSEC energies for the three-dimensional {sup 3}A′ and {sup 3}A″ PESs was then least-squares fitted in terms of permutationally invariant polynomials in mixed exponential–Gaussian bond order variables. The global and local minima as well as the transition structures of both the {sup 3}A′ and the {sup 3}A″ analytic PES were explored. In agreement with previous work, we find that the reverse reaction is barrierless on the {sup 3}A″ surface along the minimum energy pathway. However, we have explored several new local minima and transition structures on the {sup 3}A′ PES. Furthermore, based on the newly found minima and transition structures, two independent reaction mechanisms have been illustrated for the reaction path on the {sup 3}A′ PES. The analytic surfaces may be used for dynamics calculations of electronically adiabatic reactive scattering and energy transfer.

  14. Visualization of Protein Folding Funnels in Lattice Models

    PubMed Central

    Oliveira, Antonio B.; Fatore, Francisco M.; Paulovich, Fernando V.; Oliveira, Osvaldo N.; Leite, Vitor B. P.

    2014-01-01

    Protein folding occurs in a very high dimensional phase space with an exponentially large number of states, and according to the energy landscape theory it exhibits a topology resembling a funnel. In this statistical approach, the folding mechanism is unveiled by describing the local minima in an effective one-dimensional representation. Other approaches based on potential energy landscapes address the hierarchical structure of local energy minima through disconnectivity graphs. In this paper, we introduce a metric to describe the distance between any two conformations, which also allows us to go beyond the one-dimensional representation and visualize the folding funnel in 2D and 3D. In this way it is possible to assess the folding process in detail, e.g., by identifying the connectivity between conformations and establishing the paths to reach the native state, in addition to regions where trapping may occur. Unlike the disconnectivity maps method, which is based on the kinetic connections between states, our methodology is based on structural similarities inferred from the new metric. The method was developed in a 27-mer protein lattice model, folded into a 3×3×3 cube. Five sequences were studied and distinct funnels were generated in an analysis restricted to conformations from the transition-state to the native configuration. Consistent with the expected results from the energy landscape theory, folding routes can be visualized to probe different regions of the phase space, as well as determine the difficulty in folding of the distinct sequences. Changes in the landscape due to mutations were visualized, with the comparison between wild and mutated local minima in a single map, which serves to identify different trapping regions. The extension of this approach to more realistic models and its use in combination with other approaches are discussed. PMID:25010343

  15. Combinatorial optimization using dynamical phase transitions in driven-dissipative systems

    NASA Astrophysics Data System (ADS)

    Leleu, Timothée; Yamamoto, Yoshihisa; Utsunomiya, Shoko; Aihara, Kazuyuki

    2017-02-01

    The dynamics of driven-dissipative systems is shown to be well-fitted for achieving efficient combinatorial optimization. The proposed method can be applied to solve any combinatorial optimization problem that is equivalent to minimizing an Ising Hamiltonian. Moreover, the dynamics considered can be implemented using various physical systems as it is based on generic dynamics—the normal form of the supercritical pitchfork bifurcation. The computational principle of the proposed method relies on an hybrid analog-digital representation of the binary Ising spins by considering the gradient descent of a Lyapunov function that is the sum of an analog Ising Hamiltonian and archetypal single or double-well potentials. By gradually changing the shape of the latter potentials from a single to double well shape, it can be shown that the first nonzero steady states to become stable are associated with global minima of the Ising Hamiltonian, under the approximation that all analog spins have the same amplitude. In the more general case, the heterogeneity in amplitude between analog spins induces the stabilization of local minima, which reduces the quality of solutions to combinatorial optimization problems. However, we show that the heterogeneity in amplitude can be reduced by setting the parameters of the driving signal near a regime, called the dynamic phase transition, where the analog spins' DC components map more accurately the global minima of the Ising Hamiltonian which, in turn, increases the quality of solutions found. Last, we discuss the possibility of a physical implementation of the proposed method using networks of degenerate optical parametric oscillators.

  16. Bogoliubov depletion of the fragmented condensate in the bosonic flux ladder

    NASA Astrophysics Data System (ADS)

    Kolovsky, Andrey R.

    2017-03-01

    We theoretically analyze the ground state of weakly interacting bosons in the flux ladder—the system that has been recently realized by means of ultracold atoms in the specially designed optical lattice [M. Atala, M. Aidelsburger, M. Lohse, J. T. Barreiro, B. Paredes, and I. Bloch, Nat. Phys. 10, 588 (2014), 10.1038/nphys2998]. It is argued that, for the system parameters corresponding to two degenerate minima in the Bloch dispersion relation, the ground state is a fragmented condensate. We study the Bogoliubov depletion of this condensate and discuss the role of boundary conditions.

  17. Tailoring diffuse reflectance of inhomogeneous films containing microplatelets

    NASA Astrophysics Data System (ADS)

    Slovick, Brian A.; Baker, John M.; Flom, Zachary; Krishnamurthy, Srini

    2015-10-01

    We develop an analytical model for calculating the diffuse reflectance of inhomogeneous films containing aligned microplatelets with diameters much greater than the wavelength. The scattering parameters are derived by modeling the platelets as one-dimensional thin films, and the overall diffuse reflectance of the slab is calculated using the Kubelka-Munk model. Our model predicts that reflection minima and maxima arising from coherent interference within the platelets are preserved in the diffuse reflectance of the disordered slab. Experimental validation of the model is provided by reflectance measurements (0.3-15 μm) of a solid aerosol film of aligned hexagonal boron nitride platelets.

  18. Rotation dynamics of C{sub 60} molecules in a monolayer fullerene film on the WO{sub 2}/W(110) surface near the rotational phase transition

    SciTech Connect

    Bozhko, S. I.; Levchenko, E. A.; Semenov, V. N.; Bulatov, M. F.; Shvets, I. V.

    2015-05-15

    The rotation dynamics of C{sub 60} molecules in monolayer fullerene films grown on the WO{sub 2}/W(110) surface is studied by scanning tunneling microscopy. The formation of molecule clusters, which have a high libron vibration amplitude, is detected near the rotational phase transition temperature. The energy parameters that determine a change in the molecule orientation, namely, the energy difference between the nearest minima of the C{sub 60} molecule energy (30 meV) as a function of the molecule orientation and the potential barrier between them (610 meV), are determined. The results are discussed in terms of the mean-field approximation.

  19. High-frequency acoustic charge transport in GaAs nanowires.

    PubMed

    Büyükköse, S; Hernández-Mínguez, A; Vratzov, B; Somaschini, C; Geelhaar, L; Riechert, H; van der Wiel, W G; Santos, P V

    2014-04-04

    The oscillating piezoelectric fields accompanying surface acoustic waves are able to transport charge carriers in semiconductor heterostructures. Here, we demonstrate high-frequency (above 1 GHz) acoustic charge transport in GaAs-based nanowires deposited on a piezoelectric substrate. The short wavelength of the acoustic modulation, smaller than the length of the nanowire, allows the trapping of photo-generated electrons and holes at the spatially separated energy minima and maxima of conduction and valence bands, respectively, and their transport along the nanowire with a well defined acoustic velocity towards indium-doped recombination centers.

  20. Quantum entropy and uncertainty for two-mode squeezed, coherent and intelligent spin states

    NASA Technical Reports Server (NTRS)

    Aragone, C.; Mundarain, D.

    1993-01-01

    We compute the quantum entropy for monomode and two-mode systems set in squeezed states. Thereafter, the quantum entropy is also calculated for angular momentum algebra when the system is either in a coherent or in an intelligent spin state. These values are compared with the corresponding values of the respective uncertainties. In general, quantum entropies and uncertainties have the same minimum and maximum points. However, for coherent and intelligent spin states, it is found that some minima for the quantum entropy turn out to be uncertainty maxima. We feel that the quantum entropy we use provides the right answer, since it is given in an essentially unique way.