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Sample records for atomic short-range order

  1. Short-range ordering of ion-implanted nitrogen atoms in SiC-graphene

    SciTech Connect

    Willke, P.; Druga, T.; Wenderoth, M.; Amani, J. A.; Weikert, S.; Hofsäss, H.; Thakur, S.; Maiti, K.

    2014-09-15

    We perform a structural analysis of nitrogen-doped graphene on SiC(0001) prepared by ultra low-energy ion bombardment. Using scanning tunneling microscopy, we show that nitrogen atoms are incorporated almost exclusively as graphitic substitution in the graphene honeycomb lattice. With an irradiation energy of 25 eV and a fluence of approximately 5 × 10{sup 14 }cm{sup −2}, we achieve a nitrogen content of around 1%. By quantitatively comparing the position of the N-atoms in the topography measurements with simulated random distributions, we find statistically significant short-range correlations. Consequently, we are able to show that the dopants arrange preferably at lattice sites given by the 6 × 6-reconstruction of the underlying substrate. This selective incorporation is most likely triggered by adsorbate layers present during the ion bombardment. This study identifies low-energy ion irradiation as a promising method for controlled doping in epitaxial graphene.

  2. Quantitative chemical-structure evaluation using atom probe tomography: Short-range order analysis of Fe-Al.

    PubMed

    Marceau, R K W; Ceguerra, A V; Breen, A J; Raabe, D; Ringer, S P

    2015-10-01

    Short-range-order (SRO) has been quantitatively evaluated in an Fe-18Al (at%) alloy using atom probe tomography (APT) data and by calculation of the generalised multicomponent short-range order (GM-SRO) parameters, which have been determined by shell-based analysis of the three-dimensional atomic positions. The accuracy of this method with respect to limited detector efficiency and spatial resolution is tested against simulated D03 ordered data. Whilst there is minimal adverse effect from limited atom probe instrument detector efficiency, the combination of this with imperfect spatial resolution has the effect of making the data appear more randomised. The value of lattice rectification of the experimental APT data prior to GM-SRO analysis is demonstrated through improved information sensitivity.

  3. Short-range order and dynamics of atoms in liquid gallium

    SciTech Connect

    Mokshin, A. V. Khusnutdinoff, R. M.; Novikov, A. G.; Blagoveshchenskii, N. M.; Puchkov, A. V.

    2015-11-15

    The features of the microscopic structure, as well as one-particle and collective dynamics of liquid gallium in the temperature range from T = 313 to 1273 K, are studied on the p = 1.0 atm isobar. Detailed analysis of the data on diffraction of neutrons and X-rays, as well as the results of atomic dynamics simulation, lead to some conclusions about the structure. In particular, for preset conditions, gallium is in the equilibrium liquid phase showing no features of any stable local crystalline clusters. The pronounced asymmetry of the principle peak of the static structure factor and the characteristic “shoulder” in its right-hand part appearing at temperatures close to the melting point, which are clearly observed in the diffraction data, are due to the fact that the arrangement of the nearest neighbors of an arbitrary atom in the system is estimated statistically from the range of correlation length values and not by a single value as in the case of simple liquids. Compactly located dimers with a very short bond make a significant contribution to the statistics of nearest neighbors. The temperature dependence of the self-diffusion coefficient calculated from atomic dynamics simulation agrees well with the results obtained from experimental spectra of the incoherent scattering function. Interpolation of the temperature dependence of the self-diffusion coefficient on a logarithmic scale reveals two linear regions with a transition temperature of about 600 K. The spectra of the dynamic structure factor and spectral densities of the local current calculated by simulating the atomic dynamics indicate the existence of acoustic vibrations with longitudinal and transverse polarizations in liquid gallium, which is confirmed by experimental data on inelastic scattering of neutrons and X-rays. It is found that the vibrational density of states is completely reproduced by the generalized Debye model, which makes it possible to decompose the total vibrational motion into

  4. Effects of atomic short-range order on properties of the PbMg1 /3Nb2 /3O3 relaxor ferroelectric

    NASA Astrophysics Data System (ADS)

    Prosandeev, Sergey; Bellaiche, L.

    2016-11-01

    The effect of atomic short-range order on the macroscopic and microscopic properties of the prototype of relaxor ferroelectrics, that is, lead magnesium niobate Pb (Mg1 /3Nb2 /3) O3 (PMN), is studied via the combination of an annealing technique and a large-scale effective Hamiltonian method. The investigated short-range order gradually varies from the case of fully disordered solid solutions to the situation for which the first three nearest-neighboring shells of the B lattice of PMN adopt a rocksalt ordering between a sublattice made of pure Nb ions and a randomly distributed sublattice consisting of 2/3 of Mg and 1/3 of Nb. The characteristic temperatures of relaxor ferroelectrics (namely, the Burns, so-called T*, and depolarizing temperatures) significantly increase when strengthening this short-range chemical order, which is accompanied by an overall enhancement of the size of the polar nanoregions as well as of some antiferroelectric interactions. These results can be understood by the fact that chemical short-range order strongly modifies the internal electric fields felt by the Pb ions.

  5. Neutron scattering studies of short-range order, atomic displacements, and effective pair interactions in a null-matrix Ni0.5262Pt0.48 crystal

    NASA Astrophysics Data System (ADS)

    Rodriguez, J. A.; Moss, S. C.; Robertson, J. L.; Copley, J. R. D.; Neumann, D. A.; Major, J.

    2006-09-01

    The best known exception to the Heine-Sampson and Bieber-Gauthier arguments for ordering effects in transition metal alloys (similar to the Hume-Rothery rules) is a NiPt alloy, whose phase diagram is similar to that of the CuAu system. Using neutron scattering we have investigated the local atomic order in a null-matrix Ni0.5262Pt0.48 single crystal. In a null-matrix alloy, the isotopic composition is adjusted so that the average neutron scattering length vanishes ( Ni62 has a negative scattering length nearly equal in magnitude to that of Pt). Consequently, all contributions to the total scattering depending on the average lattice are suppressed. The only remaining components of the elastic scattering are the short-range order (SRO) and size effect terms. These data permit the extraction of the SRO parameters (concentration-concentration correlations) as well as the displacement parameters (concentration-displacement correlations). Using the Krivoglaz-Clapp-Moss theory, we obtain the effective pair interactions (EPIs) between near neighbors in the alloy. The results can be used by theorists to model the alloy in the context of the electronic theory of alloy phase stability, including a preliminary evaluation of the local species-dependent displacements. Our maps of V(q) , the Fourier transform of the EPIs, show very similar shapes in the experimental and reconstructed data. This is of importance when comparing to electronic structure calculations.

  6. Difference in Icosahedral Short-Range Order in Early and Late Transition Metal Liquids

    NASA Technical Reports Server (NTRS)

    Lee, G. W.; Gangopadbyay, A. K.; Kelton, K. F.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.

    2004-01-01

    New short-range order data are presented for equilibrium and undercooled liquids of Ti and Ni. These were obtained from in-situ synchrotron x-ray diffraction measurements of electrostatically-levitated droplets. While the short-range order of liquid Ni is icosahedral, consistent with Frank's hypothesis, significantly distorted icosahedral order is observed in liquid Ti. This is the first experimental observation of distorted icosahedral short-range order in any liquid. although this has been predicted by theoretical studies on atomic clusters.

  7. Difference in Icosahedral Short-Range Order in Early and Late Transition Metals Liquids

    NASA Technical Reports Server (NTRS)

    Lee, G. W.; Gangopadhyay, A. K.; Kelton, K. F.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.

    2003-01-01

    New short-range order data are presented for equilibrium and undercooled liquids of Ti and Ni. These were obtained from in-situ synchrotron x-ray diffraction measurements of electrostatically-levitated droplets. While the short-range order of liquid Ni is icosahedral, consistent with Frank's hypothesis, significantly distorted icosahedral order is observed in liquid Ti. This is the first experimental observation of distorted icosahedral short-range order in any liquid, although this has been predicted by theoretical studies on atomic clusters.

  8. Lazarevicite-type short-range ordering in ternary III-V nanowires

    NASA Astrophysics Data System (ADS)

    Schnedler, M.; Lefebvre, I.; Xu, T.; Portz, V.; Patriarche, G.; Nys, J.-P.; Plissard, S. R.; Caroff, P.; Berthe, M.; Eisele, H.; Dunin-Borkowski, R. E.; Ebert, Ph.; Grandidier, B.

    2016-11-01

    Stabilizing ordering instead of randomness in alloy semiconductor materials is a powerful means to change their physical properties. We used scanning tunneling and transmission electron microscopies to reveal the existence of an unrecognized ordering in ternary III-V materials. The lazarevicite short-range order, found in the shell of InAs1 -xSbx nanowires, is driven by the strong Sb-Sb repulsion along <110 > atomic chains during their incorporation on unreconstructed {110 } sidewalls. Its spontaneous formation under group-III-rich conditions of growth offers the prospect to broaden the limited classes of ordered structures occurring in III-V semiconductor alloys.

  9. Short range chemical ordering in bulk metallic glasses

    SciTech Connect

    Sterne, P A; Asoka-Kumar, P; Hartley, J H; Howell, R H; Nieh, T G; Flores, K M; Suh, D; Dauskardt, R H

    2001-01-03

    We provide direct experimental evidence for a non-random distribution of atomic constituents in Zr-based multi-component bulk metallic glasses using positron annihilation spectroscopy. The Ti content around the open-volume regions is significantly enhanced at the expense of Cu and Ni, indicating that Cu and Ni occupy most of the volume bounded by their neighboring atoms while Ti and Zr are less closely packed and more likely to be associated with open-volume regions. Temperature-dependent measurements indicate the presence of at least two different characteristic sizes for the open volume regions. Measurements on hydrogen-charged samples show that the larger open-volume regions can be filled by hydrogen up to a critical density. Beyond this critical density, local atomic-scale open-volume damage is created in the sample to accommodate additional hydrogen. The onset of this local damage in positron annihilation data coincides with the onset of volume expansion in X-ray diffraction data.

  10. Electronic transitions induced by short-range structural order in amorphous TiO2

    NASA Astrophysics Data System (ADS)

    Triana, C. A.; Araujo, C. Moyses; Ahuja, R.; Niklasson, G. A.; Edvinsson, T.

    2016-10-01

    Several promising applications of amorphous titanium dioxide, a TiO2 , have appeared recently, but the correlation between electronic properties and atomic short-range structural order is poorly understood. Herein we show that structural disorder yields local undercoordinated TiOx units which influence electronic hybridization of Ti-[4 p ] and Ti-[3 d ] orbitals with a low crystal-field splitting [E (eg) -E (t2 g) =2.4 ±0.3 eV ] . The short-range order and electronic properties of a TiO2 thin-film oxides are described through an integrated approach based on x-ray-absorption experiments and ab initio computational simulations where the energy splitting of the electronic levels in the Ti-[4 p -3 d ] manifold are analyzed. Structural disorder provides enough p -d orbital mixing for the hybridized electronic transitions from the Ti-[1 s ] core level into the [Ti -t2 g] and [Ti -eg] bands [1 s →4 p -3 d excitations], to be allowed. This yields an intense pre-edge structure in the Ti K -edge x-ray-absorption near-edge structure spectrum of a TiO2 , which is consistent with the projected density of states on the photoabsorbing Ti atoms.

  11. Short-range order and stability in Gd-Ni and Y-Ni systems

    SciTech Connect

    Colinet, C.; Pasturel, A.; Buschow, K.H.J.

    1987-11-01

    We present experimental determinations of the enthalpies of formation of various amorphous and crystalline alloys in the Gd-Ni and Y-Ni systems. For the amorphous alloys, crystallization enthalpy is studied by means of differential scanning calorimetry. The enthalpy effects observed in amorphous alloys point to the occurrence of chemical short-range order. This manifestation is analyzed using microscopic calculations of chemical short-range order based on a tight-binding Hamiltonian.

  12. Simultaneous occurrence of multiferroism and short-range magnetic order in DyFeO3

    DOE PAGES

    Wang, Jinchen; Liu, Juanjuan; Sheng, Jieming; ...

    2016-04-06

    In this paper, we present a combined neutron scattering and magnetization study on the multiferroic DyFeO3, which shows a very strong magnetoelectric effect. Applying magnetic field along the c axis, the weak ferromagnetic order of the Fe ions is quickly recovered from a spin reorientation transition, and the long-range antiferromagnetic order of Dy becomes a short-range one. We found that the short-range order concurs with the multiferroic phase and is responsible for its sizable hysteresis. In conclusion, our H-T phase diagram suggests that the strong magnetoelectric effect in DyFeO3 has to be understood with not only the weak ferromagnetism ofmore » Fe but also the short-range antiferromagnetic order of Dy.« less

  13. Size correlated long and short range order of ternary Co2FeGa Heusler nanoparticles

    NASA Astrophysics Data System (ADS)

    Wang, C. H.; Guo, Y. Z.; Casper, F.; Balke, B.; Fecher, G. H.; Felser, C.; Hwu, Y.

    2010-09-01

    The long and short range order of chemically prepared Co2FeGa Heusler nanoparticles with various sizes are determined by x-ray diffraction (XRD) and extended x-ray absorption fine structure (EXAFS) spectroscopy. Specifically, EXAFS fittings reveal the size dependent crystal structure and short range order of the Heusler type Co2FeGa nanoparticles. With decreasing particle size, the degree of L21 order in the nanoparticles decreases and the probability of B2 disorder increases simultaneously. The consequences of antisite disorder on the size correlated structure of Co2FeGa nanoparticles are also discussed.

  14. Covalent and reversible short-range electrostatic imaging in noncontact atomic force microscopy.

    PubMed

    Dieska, Peter; Stich, Ivan; Pérez, Rubén

    2003-11-21

    We present a computational study of atomic-scale image formation in noncontact atomic force microscopy on metallic surfaces. We find two imaging scenarios: (1). atomic resolution arising due to very strong covalent tip-sample interaction exhibiting striking similarity with the imaging mechanism found on semiconductor surfaces, and (2). a completely new mechanism, reversible short-range electrostatic imaging, arising due to subtle charge-transfer interactions. Contrary to the strong covalent-bond imaging, the newly identified mechanism causes only negligible surface perturbation and can account for results recently observed experimentally.

  15. Double scattering of light from Biophotonic Nanostructures with short-range order.

    PubMed

    Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Prum, Richard O; Mochrie, Simon G J; Dufresne, Eric R; Cao, Hui

    2010-05-24

    We investigate the physical mechanism for color production by isotropic nanostructures with short-range order in bird feather barbs. While the primary peak in optical scattering spectra results from constructive interference of singly-scattered light, many species exhibit secondary peaks with distinct characteristic. Our experimental and numerical studies show that these secondary peaks result from double scattering of light by the correlated structures. Without an analog in periodic or random structures, such a phenomenon is unique for short-range ordered structures, and has been widely used by nature for non-iridescent structural coloration.

  16. Double scattering of light from Biophotonic Nanostructures with short-range order

    SciTech Connect

    Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Prum, Richard O.; Mochrie, Simon G.J.; Dufresne, Eric R.; Cao, Hui

    2010-07-28

    We investigate the physical mechanism for color production by isotropic nanostructures with short-range order in bird feather barbs. While the primary peak in optical scattering spectra results from constructive interference of singly-scattered light, many species exhibit secondary peaks with distinct characteristic. Our experimental and numerical studies show that these secondary peaks result from double scattering of light by the correlated structures. Without an analog in periodic or random structures, such a phenomenon is unique for short-range ordered structures, and has been widely used by nature for non-iridescent structural coloration.

  17. CO tip functionalization inverts atomic force microscopy contrast via short-range electrostatic forces.

    PubMed

    Schneiderbauer, Maximilian; Emmrich, Matthias; Weymouth, Alfred J; Giessibl, Franz J

    2014-04-25

    We investigate insulating Cu2N islands grown on Cu(100) by means of combined scanning tunneling microscopy and atomic force microscopy with two vastly different tips: a bare metal tip and a CO-terminated tip. We use scanning tunneling microscopy data as proposed by Choi, Ruggiero, and Gupta to unambiguously identify atomic positions. Atomic force microscopy images taken with the two different tips show an inverted contrast over Cu2N. The observed force contrast can be explained with an electrostatic model, where the two tips have dipole moments of opposite directions. This highlights the importance of short-range electrostatic forces in the formation of atomic contrast on polar surfaces in noncontact atomic force microscopy.

  18. Nuclear-spin-independent short-range three-body physics in ultracold atoms.

    PubMed

    Gross, Noam; Shotan, Zav; Kokkelmans, Servaas; Khaykovich, Lev

    2010-09-03

    We investigate three-body recombination loss across a Feshbach resonance in a gas of ultracold 7Li atoms prepared in the absolute ground state and perform a comparison with previously reported results of a different nuclear-spin state [N. Gross, Phys. Rev. Lett. 103, 163202 (2009)]. We extend the previously reported universality in three-body recombination loss across a Feshbach resonance to the absolute ground state. We show that the positions and widths of recombination minima and Efimov resonances are identical for both states which indicates that the short-range physics is nuclear-spin independent.

  19. Short-range order and its effects on electrons in (GaN)(1 - x)(ZnO)x alloys

    NASA Astrophysics Data System (ADS)

    Liu, Jian; Pedroza, Luana; Misch, Carissa; Fernandez-Serra, Maria; Allen, Philip

    2014-03-01

    Prior work by Li et al. gives ``cluster expansion'' parameters for (GaN)(1 - x)(ZnO)x alloys. From these, by Monte-Carlo calculations, large representative unit cells can be generated at any chosen temperature. We choose mainly T=1200K, typical of the temperature at which experimental samples fall out of equilibrium. The atoms are distributed on the wurtzite anion and cation sublattices with significant short-range order. A periodic supercell with 432 atoms is chosen as a compromise between accurate self-averaging and fully self-consistent and relaxed density-functional (DFT) computation. Composition- and temperature-dependent short-range order (SRO) parameters of the alloys are discussed. Entropy is related to the SRO parameters. DFT relaxation finds significant bond-length alterations. Typical Zn-O distances are larger by 10 % than Ga-N distances in the alloy, even though in pure ZnO and GaN, bond lengths are nearly equal. Electronic properties of the alloys, and in particular, the influences of short-range order and bond-length fluctuations, will be discussed. Supported by DOE Grant No. DE-FG02-08ER46550 (PBA) and DE-FG02-09ER16052 (MFS). Computer resources came from the BNL CFN under DOE Contract DE-AC02-98CH10886.

  20. Spin-polarized photoelectron diffraction: A new probe of short-range magnetic order (invited) (abstract)

    NASA Astrophysics Data System (ADS)

    Fadley, C. S.; Sinkovic, B.; Hermsmeier, B. D.; Osterwalder, J.

    1988-04-01

    It has recently been pointed out theoretically and subsequently observed experimentally that core-level multiplet splittings can be used to yield a spin-polarized form of photoelectron diffraction (SPPD). This internally referenced source of electrons that are highly polarized with both orientations of spin thus eliminates the need for an external spin detector, permits studying both ferromagnetic and antiferromagnetic specimens, and can, in principle, detect short-range magnetic or for temperatures above the Curie or Néel temperature. In the first measurements of this type on the antiferromagnet KMnF3, an abrupt loss of short-range order at a transition temperature considerably above the bulk Néel temperature of the material was observed. More recent theoretical diffraction calculations have pointed out several ways in which SPPD should permit deriving unique information on short-range spin-order structures at and near the surfaces of magnetic materials. New experimental results have also been obtained for the antiferromagnet MnO. This paper will discuss these new developments, will review the advantages and disadvantages of SPPD, and also will consider some interesting future directions of investigation.

  1. Short range ordering and magnetostriction in Fe-Ga and other Fe alloy single crystals

    NASA Astrophysics Data System (ADS)

    Guruswamy, Sivaraman; Jayaraman, Tanjore V.; Corson, Robert P.; Garside, Gavin; Thuanboon, Swieng

    2008-12-01

    The magnetostrictive behaviors of Fe-Ga, Fe-Mo, Fe-W, and other Fe alloys have been observed to be sensitive to their thermal history. In this work, the changes in the structure with thermal history and how they correlate with the observed magnetostriction values in Fe-Ga, Fe-W, and Fe-Mo single crystals are examined. Single crystals were grown using the vertical Bridgman crystal growth technique. The magnetostriction constant (3/2)λ100 measured in (i) as-grown and air-cooled (DG) and (ii) annealed and water quenched single crystal samples of Fe-Ga and Fe-W alloys clearly indicate that annealing in the α-phase region followed by rapid quenching improves the magnetostriction values. High-resolution x-ray diffraction (XRD) studies on [100]-oriented Fe-Ga as well as other Fe alloy single crystals show (i) a diffuse scattering peak indicative of short range ordering, the extent of which depends on composition and thermal history, and (ii) (200) peak splitting and broadening indicative of the presence of long range ordered coherent second phases and associated coherency strains. A detailed examination of the XRD patterns suggests that the changes in magnetostriction with composition and thermal history are related to the local strain modulations associated with the solutes, short range order, long range ordered coherent second phases, incoherent precipitates, and other structural defects.

  2. Distinct Short-Range Order Is Inherent to Small Amorphous Calcium Carbonate Clusters (<2 nm)

    SciTech Connect

    Sun, Shengtong; Chevrier, Daniel M.; Zhang, Peng; Gebauer, Denis; Cölfen, Helmut

    2016-09-09

    Amorphous intermediate phases are vital precursors in the crystallization of many biogenic minerals. While inherent short-range orders have been found in amorphous calcium carbonates (ACCs) relating to different crystalline forms, it has never been clarified experimentally whether such orders already exist in very small clusters less than 2 nm in size. Here, we studied the stability and structure of 10,12-pentacosadiynoic acid (PCDA) protected ACC clusters with a core size of ca. 1.4 nm consisting of only seven CaCO3 units. Ligand concentration and structure are shown to be key factors in stabilizing the ACC clusters. More importantly, even in such small CaCO3 entities, a proto-calcite short-range order can be identified but with a relatively high degree of disorder that arises from the very small size of the CaCO3 core. Our findings support the notion of a structural link between prenucleation clusters, amorphous intermediates, and final crystalline polymorphs, which appears central to the understanding of polymorph selection.

  3. Cascaded third-harmonic generation in a single short-range-ordered nonlinear photonic crystal.

    PubMed

    Sheng, Yan; Saltiel, Solomon M; Koynov, Kaloian

    2009-03-01

    Collinear third-harmonic generation at 526.7 nm was realized by the simultaneous phase matching of two second-order processes in a single quadratic crystal: second-harmonic generation (SHG) and sum-frequency mixing (SFM). The measured conversion efficiency was 12%. As a nonlinear medium a LiNbO(3) nonlinear photonic crystal with short-range order was used that allowed simultaneous phase matching by use of discrete reciprocal vector (for the SHG process) and continuous reciprocal vectors (for the SFM process). It was demonstrated that the third harmonic could be generated efficiently in such a crystal even if the intermediate process of SHG was not perfectly phase matched.

  4. Short range smectic order driving long range nematic order: example of cuprates

    PubMed Central

    Markiewicz, R. S.; Lorenzana, J.; Seibold, G.; Bansil, A.

    2016-01-01

    We present a model for describing the combined presence of nematic and ‘smectic’ or stripe-like orders seen in recent scanning tunneling microscopy (STM) experiments on cuprates. The smectic order is treated as an electronic charge density wave with an associated Peierls distortion or a ‘Pomeranchuk wave’. This primary order is restricted to nanoscale domains by disorder effects, while the secondary coupling to strain generates the nematic order with a considerably longer range. A variety of experimental results are shown to be consistent with our theoretical predictions. PMID:26813579

  5. Short range smectic order driving long range nematic order: Example of cuprates

    SciTech Connect

    Markiewicz, R. S.; Lorenzana, J.; Seibold, G.; Bansil, A.

    2016-01-27

    We present a model for describing the combined presence of nematic and ‘smectic’ or stripe-like orders seen in recent scanning tunneling microscopy (STM) experiments on cuprates. The smectic order is treated as an electronic charge density wave with an associated Peierls distortion or a ‘Pomeranchuk wave’. This primary order is restricted to nanoscale domains by disorder effects, while the secondary coupling to strain generates the nematic order with a considerably longer range. Lastly, a variety of experimental results are shown to be consistent with our theoretical predictions.

  6. Discriminating short-range from van der Waals forces using total force data in noncontact atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Kuhn, Stefan; Rahe, Philipp

    2014-06-01

    Noncontact atomic force microscopy (NC-AFM) features the measurement of forces with highest spatial resolution and sensitivity, resolving forces of the order of pico-Newtons with submolecular resolution. However, the measured total force is a mixture composed of various interactions. While some interactions such as electrostatic or magnetic forces can be excluded by a careful design of the experiment, the subtraction of van der Waals forces, which mainly originate from London dispersion interactions between the macroscopic tip shank and the bulk sample, remains a challenge. We present the determination of the inherently present van der Waals forces in total interaction force data from fitting a suitable model, allowing for extraction of the short-range force component. We compare the applicability of several van der Waals models based on experimental interaction data from the calcite(101¯4) surface. The feasibility to fit these models to experimental data is critically discussed. We furthermore introduce criteria to assess the transition point from pure long-range interaction to mixed short- and long-range forces based on the variance of lateral and vertical force data. This determination allows us to extract the short-range interaction forces, which remained a challenge so far in NC-AFM experiments.

  7. Reformation Capability of Short-Range Order and Their Medium-Range Connections Regulates Deformability of Bulk Metallic Glasses

    PubMed Central

    Li, Congling; Wei, Yujie; Shi, Xinghua

    2015-01-01

    Metallic glasses (MGs) typically have high yield strength while low ductility, and the latter is commonly considered as the Achilles’ heel of MGs. Elucidate the mechanism for such low ductility becomes the research focus of this field. With molecular level simulations, we show the degree of short-range order (SRO) of atomic structure for brittle Fe-based glass decreases dramatically during the stretch, while mild change occurs in ductile Zr-based glass. The reformation capability for SRO and their medium-range connections is found to be the primary characteristics to differentiate the deformability between the two metallic glasses. We suspect that, in addition to the strength of networks formed by SRO structure, the reformation capability to reform SRO networks also plays the key role in regulating the ductility in metallic glasses. Our study provides important insights into the understanding about the mechanisms accounting for ductility or brittleness of bulk metallic glasses. PMID:26178316

  8. Fungal biomineralization of montmorillonite and goethite to short-range-ordered minerals

    NASA Astrophysics Data System (ADS)

    Li, Huan; Hu, Shuijin; Polizzotto, Matthew L.; Chang, Xiaoli; Shen, Qirong; Ran, Wei; Yu, Guanghui

    2016-10-01

    Highly reactive nano-scale minerals, e.g., short-range-ordered minerals (SROs) and other nanoparticles, play an important role in soil carbon (C) retention. Yet, the mechanisms that govern biomineralization from bulk minerals to highly reactive nano-scale minerals remain largely unexplored, which critically hinders our efforts toward managing nano-scale minerals for soil C retention. Here we report the results from a study that explores structural changes during Aspergillus fumigatus Z5 transformation of montmorillonite and goethite to SROs. We examined the morphology and structure of nano-scale minerals, using high-resolution transmission electron microscopy, time-resolved solid-state 27Al and 29Si NMR, and Fe K-edge X-ray absorption fine structure spectroscopy combined with two dimensional correlation spectroscopy (2D COS) analysis. Our results showed that after a 48-h cultivation of montmorillonite and goethite with Z5, new biogenic intracellular and extracellular reactive nano-scale minerals with a size of 3-5 nm became abundant. Analysis of 2D COS further suggested that montmorillonite and goethite were the precursors of the dominant biogenic nano-scale minerals. Carbon 1s near edge X-ray absorption fine structure (NEXAFS) spectra and their deconvolution results demonstrated that during fungus Z5 growth, carboxylic C (288.4-289.1 eV) was the dominant organic group, accounting for approximately 34% and 59% in the medium and aggregates, respectively. This result suggested that high percentage of the production of organic acids during the growth of Z5 was the driving factor for structural changes during biomineralization. This is, to the best of our knowledge, the first report of the structural characterization of nano-scale minerals by 2D COS, highlighting its potential to elucidate biomineralization pathways and thus identify the precursors of nano-scale minerals.

  9. Short-Range-Order Mineral Physical Protection On Black Carbon Stabilization

    NASA Astrophysics Data System (ADS)

    Liang, B.; Weng, Y. T.; Wang, C. C.; Song, Y. F.; Lehmann, J.; Wang, C. H.

    2015-12-01

    Soil organic matter is one of the largest reservoirs in global carbon cycle, and black carbon (BC) represents a chemical resistant component. Black C plays an important role in global climate change. Generally considered recalcitrant due to high aromaticity, the reactive surface and functional groups of BC are crucial for carbon sequestration in soils. Mineral sorption and physical protection is an important mechanism for BC long term stabilization and sequestration in environments. Previous studies on mineral protection of BC were limited to analysis techniques in two-dimensions, for example, by SEM, TEM, and NanoSIMS. Little is known about the scope of organo-mineral association, the in-situ distribution and forms of minerals, and the ultimate interplay of BC and minerals. The aim of this study is to investigate the three-dimensional interaction of organic C and minerals in submicron scale using synchrotron-based Transmission X-ray Microcopy (TXM) and Fourier-Transform Infrared Spectroscopy (FTIR). Abundant poorly-crystallined nano-minerals particles were observed. These short-range-order (SRO) minerals also aggregate into clusters and sheets, and form envelops-like structures on the surface of BC. On top of large surface contact area, the intimate interplay between BC and minerals reinforces the stability of both organic C and minerals, resulting from chemical bonding through cation bridging and ligand exchange. The mineral protection enhances BC stabilization and sequestration and lowers its bioavailability in environment. The results suggest that mineral physical protection for BC sequestration may be more important than previous understanding.

  10. Short-range order in Fe-based metallic glasses: Wide-angle X-ray scattering studies

    SciTech Connect

    Babilas, Rafał; Hawełek, Łukasz; Burian, Andrzej

    2014-11-15

    The local atomic structure of the Fe{sub 80}B{sub 20}, Fe{sub 70}Nb{sub 10}B{sub 20} and Fe{sub 62}Nb{sub 8}B{sub 30} glasses prepared in the form of ribbons has been studied by wide-angle X-ray scattering. Structural information about the amorphous ribbons has been derived from analysis of the radial distribution functions using the least-squares curve-fitting method. The obtained structural parameters indicate that Fe–Fe, Fe–B, Fe–Nb and Nb–B contributions are involved in the near-neighbor coordination spheres. The possible similarities of the local atomic arrangement in the investigated glasses and the crystalline Fe{sub 3}B, Fe{sub 23}B{sub 6} and bcc Fe structures are also discussed. - Graphical abstract: Pair distribution functions (a) and best-fit model and experimental radial distribution functions for Fe{sub 80}B{sub 20} (b), Fe{sub 70}Nb{sub 10}B{sub 20} (c) and Fe{sub 62}Nb{sub 8}B{sub 30} (d) metallic glasses. - Highlights: • The short-range ordering in the Fe-based metallic glasses is presented. • The results of RDF function have been analyzed using the least-squares method. • The Fe–Fe, Fe–B, Fe–Nb or Nb–B contributions are involved in coordination spheres. • The structural unit is distorted triangular prism containing B, Fe or Nb atoms. • Similarities of atomic arrangement in glassy and crystalline structures are discussed.

  11. Chemical short-range order in dense random packed models. [Ni/sub 35/Ti/sub 65/; Ni/sub 35/Zr/sub 65/

    SciTech Connect

    Saw, C.K.; Schwarz, R.B.

    1987-01-01

    A dense random packed model of an amorphous alloy was used to calculate the total and partial reduced radial distribution functions, the Bhathia-Thorton number-concentration fluctuations, and the number-concentration interference functions. The model was applied to amorphous Ni/sub 35/Ti/sub 65/ using atomic radii of 1.10 and 1.58 A/sup -1/ for nickel and zirconium, respectively. Chemical short-range order was included in the model by permuting nickel-zirconium nearest-neighbors atoms pairs in response to a decrease in the alloy's enthalpy. The permutations were found to decrease in the Warren-Cowley order parameter from zero to -0.38. The increase in chemical short range order is accompanied by the appearance of a peak in the partial interference function I/sub Ni-Ni/(K) at K = 1.9 A/sup -1/. The increase in chemical short range order and the prepeak in I/sub Ni-Ni/(K) are tentatively attributed to the formation of double tetrahedra with three zirconium atoms at the base and two nickel atoms at the apexes. 18 refs., 5 figs.

  12. Role of Short-Range Order and Hyperuniformity in the Formation of Band Gaps in Disordered Photonic Materials

    NASA Astrophysics Data System (ADS)

    Froufe-Pérez, Luis S.; Engel, Michael; Damasceno, Pablo F.; Muller, Nicolas; Haberko, Jakub; Glotzer, Sharon C.; Scheffold, Frank

    2016-07-01

    We study photonic band gap formation in two-dimensional high-refractive-index disordered materials where the dielectric structure is derived from packing disks in real and reciprocal space. Numerical calculations of the photonic density of states demonstrate the presence of a band gap for all polarizations in both cases. We find that the band gap width is controlled by the increase in positional correlation inducing short-range order and hyperuniformity concurrently. Our findings suggest that the optimization of short-range order, in particular the tailoring of Bragg scattering at the isotropic Brillouin zone, are of key importance for designing disordered PBG materials.

  13. Short Range-Ordered Minerals: Insight into Aqueous Alteration Processes on Mars

    NASA Technical Reports Server (NTRS)

    Ming, Douglas W.; Morris, R. V.; Golden, D. C.

    2011-01-01

    Short range-ordered (SRO) aluminosilicates (e.g., allophane) and nanophase ferric oxides (npOx) are common SRO minerals derived during aqueous alteration of basaltic materials. NpOx refers to poorly crystalline or amorphous alteration products that can be any combination of superparamagnetic hematite and/or goethite, akaganeite, schwertmannite, ferrihydrite, iddingsite, and nanometer-sized ferric oxide particles that pigment palagonitic tephra. Nearly 30 years ago, SRO phases were suggested as alteration phases on Mars based on similar spectral properties for altered basaltic tephra on the slopes of Mauna Kea in Hawaii and Martian bright regions measured by Earth-based telescopes. Detailed characterization of altered basaltic tephra on Mauna Kea have identified a variety of alteration phases including allophane, npOx, hisingerite, jarosite, alunite, hematite, goethite, ferrihydrite, halloysite, kaolinite, smectite, and zeolites. The presence of npOx and other Fe-bearing minerals (jarosite, hematite, goethite) was confirmed by the M ssbauer Spectrometer onboard the Mars Exploration Rovers. Although the presence of allophane has not been definitely identified on Mars robotic missions, chemical analysis by the Spirit and Opportunity rovers and thermal infrared spectral orbital measurements suggest the presence of allophane or allophane-like phases on Mars. SRO phases form under a variety of environmental conditions on Earth ranging from cold and arid to warm and humid, including hydrothermal conditions. The formation of SRO aluminosilicates such as allophane (and crystalline halloysite) from basaltic material is controlled by several key factors including activity of water, extent of leaching, Si activity in solution, and available Al. Generally, a low leaching index (e.g., wet-dry cycles) and slightly acidic to alkaline conditions are necessary. NpOx generally form under aqueous oxidative weathering conditions, although thermal oxidative alteration may occasional be

  14. Short Range-Ordered Minerals: Insight into Aqueous Alteration Processes on Mars

    NASA Astrophysics Data System (ADS)

    Ming, D. W.; Morris, R. V.; Golden, D. C.

    2011-12-01

    Short range-ordered (SRO) aluminosilicates (e.g., allophane) and nanophase ferric oxides (npOx) are common SRO minerals derived during aqueous alteration of basaltic materials. NpOx refers to poorly crystalline or amorphous alteration products that can be any combination of superparamagnetic hematite and/or goethite, akaganeite, schwertmannite, ferrihydrite, iddingsite, and nanometer-sized ferric oxide particles that pigment palagonitic tephra. Nearly 30 years ago, SRO phases were suggested as alteration phases on Mars based on similar spectral properties for altered basaltic tephra on the slopes of Mauna Kea in Hawaii and Martian bright regions measured by Earth-based telescopes. Detailed characterization of altered basaltic tephra on Mauna Kea have identified a variety of alteration phases including allophane, npOx, hisingerite, jarosite, alunite, hematite, goethite, ferrihydrite, halloysite, kaolinite, smectite, and zeolites. The presence of npOx and other Fe-bearing minerals (jarosite, hematite, goethite) was confirmed by the Mössbauer Spectrometer onboard the Mars Exploration Rovers. Although the presence of allophane has not been definitely identified on Mars robotic missions, chemical analysis by the Spirit and Opportunity rovers and thermal infrared spectral orbital measurements suggest the presence of allophane or allophane-like phases on Mars. SRO phases form under a variety of environmental conditions on Earth ranging from cold and arid to warm and humid, including hydrothermal conditions. The formation of SRO aluminosilicates such as allophane (and crystalline halloysite) from basaltic material is controlled by several key factors including activity of water, extent of leaching, Si activity in solution, and available Al. Generally, a low leaching index (e.g., wet-dry cycles) and slightly acidic to alkaline conditions are necessary. NpOx generally form under aqueous oxidative weathering conditions, although thermal oxidative alteration may occasional be

  15. Quantitative description of short-range order and its influence on the electronic structure in Ag-Pd alloys

    NASA Astrophysics Data System (ADS)

    Hoffmann, M.; Marmodoro, A.; Ernst, A.; Hergert, W.; Dahl, J.; Lång, J.; Laukkanen, P.; Punkkinen, M. P. J.; Kokko, K.

    2016-08-01

    We investigate the effect of short-range order (SRO) on the electronic structure in alloys from the theoretical point of view using density of states (DOS) data. In particular, the interaction between the atoms at different lattice sites is affected by chemical disorder, which in turn is reflected in the fine structure of the DOS and, hence, in the outcome of spectroscopic measurements. We aim at quantifying the degree of potential SRO with a proper parameter. The theoretical modeling is done with the Korringa-Kohn-Rostoker Green’s function method. Therein, the extended multi-sublattice non-local coherent potential approximation is used to include SRO. As a model system, we use the binary solid solution Ag c Pd1-c at three representative concentrations c  =  0.25, 0.5 and 0.75. The degree of SRO is varied from local ordering to local segregation through an intermediate completely uncorrelated state. We observe some pronounced features, which change over the whole energy range of the valence bands as a function of SRO in the alloy. These spectral variations should be traceable in modern photoemission experiments.

  16. Two-electron distribution functions and short-range electron correlations of atoms and molecules by first principles T-matrix calculations.

    PubMed

    Noguchi, Yoshifumi; Ishii, Soh; Ohno, Kaoru

    2006-09-21

    The accurate first principles description of the correlations between electrons has been a topic of interest in molecular physics. We have reported in our previous paper [J. Chem. Phys. 123, 144112 (2005)] that the T matrix, which is the ladder diagrams up to the infinite order, can accurately represent the short-range electron correlations while calculating the double ionization energy spectra of atoms and molecules. In this paper, we calculate the two-electron distribution functions of real systems (Ar, CO, CO(2), and C(2)H(2)) from the eigenvalue equation associated with the Bethe-Salpeter equation for the T matrix by beginning with the local density approximation of the density functional theory and the GW approximation. We found that when the interelectron distance is very small, the Coulomb hole appears between antiparallel spin electrons due to the short-range repulsive Coulomb interaction. The resulting two-electron distribution functions clearly show the Coulomb hole.

  17. Spin-orbital short-range order on a honeycomb-based lattice.

    PubMed

    Nakatsuji, S; Kuga, K; Kimura, K; Satake, R; Katayama, N; Nishibori, E; Sawa, H; Ishii, R; Hagiwara, M; Bridges, F; Ito, T U; Higemoto, W; Karaki, Y; Halim, M; Nugroho, A A; Rodriguez-Rivera, J A; Green, M A; Broholm, C

    2012-05-04

    Frustrated magnetic materials, in which local conditions for energy minimization are incompatible because of the lattice structure, can remain disordered to the lowest temperatures. Such is the case for Ba(3)CuSb(2)O(9), which is magnetically anisotropic at the atomic scale but curiously isotropic on mesoscopic length and time scales. We find that the frustration of Wannier's Ising model on the triangular lattice is imprinted in a nanostructured honeycomb lattice of Cu(2+) ions that resists a coherent static Jahn-Teller distortion. The resulting two-dimensional random-bond spin-1/2 system on the honeycomb lattice has a broad spectrum of spin-dimer-like excitations and low-energy spin degrees of freedom that retain overall hexagonal symmetry.

  18. A comparative study of short range order in Fe-Cr and Fe-V alloys around equiatomic composition

    SciTech Connect

    Turchi, P.E.A.; Sluiter, M. ); Stocks, G.M. )

    1990-12-04

    Configurational energies have been calculated for equiatomic Fe-Cr and Fe-V alloys possessing the high temperature bcc crystalline structure, within a first principles electronic band structure approach. In agreement with experimental facts, a tendency towards order, with a B2 ordered structure of CsCl type, is found for FeV whereas phase separation characterized FeCr. These results suggest that the nature of short range order in the high temperature bcc solid solution is not the primary driving force for describing the structural transformation from bcc to sigma which takes place in both alloys upon decreasing temperature. 15 refs., 9 figs., 1 tab.

  19. Key role of the short-range order on the response of the titanate pyrochlore Y2T i2O7 to irradiation

    NASA Astrophysics Data System (ADS)

    Sattonnay, G.; Cammelli, S.; Menut, D.; Sellami, N.; Grygiel, C.; Monnet, I.; Béchade, J. L.; Crocombette, J. P.; Chartier, A.; Soulié, A.; Tétot, R.; Legros, C.; Simon, P.; Miro, S.; Thomé, L.

    2016-12-01

    Ordering and disordering processes in complex oxides strongly influence their physicochemical properties when they are submitted to severe conditions, such as high temperature, high pressure, or irradiation. This paper examines the role played by the local atomic order on the structural stability of Y2T i2O7 pyrochlore submitted to ion irradiation by combining experimental and atomistic computation studies. X-ray absorption spectroscopy at the Ti K edge, molecular dynamics simulations, and calculations using a tight-binding variable-charge model show that the short-range order around Ti atoms in Y2T i2O7 is strongly modified by irradiation. Strong local distortions around Ti defects occur due to a decrease of the Ti coordination number. These local atomic rearrangements trigger the overall amorphization of the compound. These results show that the local short-range order influences the long-range structural stability of complex oxides, thus providing a key feature for the control of the functional properties of these materials.

  20. Understanding the Cu-Zn brass alloys using a short-range-order cluster model: significance of specific compositions of industrial alloys

    PubMed Central

    Hong, H. L.; Wang, Q.; Dong, C.; Liaw, Peter K.

    2014-01-01

    Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn α-brasses. A new structural approach, the cluster-plus-glue-atom model, is introduced, which suits specifically for the description of short-range-order structures in disordered systems. Two types of formulas are pointed out, [Zn-Cu12]Zn1~6 and [Zn-Cu12](Zn,Cu)6, which explain the α-brasses listed in the American Society for Testing and Materials (ASTM) specifications. In these formulas, the bracketed parts represent the 1st-neighbor cluster, and each cluster is matched with one to six 2nd-neighbor Zn atoms or with six mixed (Zn,Cu) atoms. Such a cluster-based formulism describes the 1st- and 2nd-neighbor local atomic units where the solute and solvent interactions are ideally satisfied. The Cu-Ni industrial alloys are also explained, thus proving the universality of the cluster-formula approach in understanding the alloy selections. The revelation of the composition formulas for the Cu-(Zn,Ni) industrial alloys points to the common existence of simple composition rules behind seemingly complex chemistries of industrial alloys, thus offering a fundamental and practical method towards composition interpretations of all kinds of alloys. PMID:25399835

  1. Formation and transformation of a short range ordered iron carbonate precursor

    NASA Astrophysics Data System (ADS)

    Dideriksen, Knud; Frandsen, Cathrine; Bovet, Nicolas; Wallace, Adam F.; Sel, Ozlem; Arbour, Tyler; Navrotsky, Alexandra; De Yoreo, James J.; Banfield, Jillian F.

    2015-09-01

    Fe(II)-carbonates, such as siderite, form in environments where O2 is scarce, e.g., during marine sediment diagenesis, corrosion and possibly CO2 sequestration, but little is known about their formation pathways. We show that early precipitates from carbonate solutions containing 0.1 M Fe(II) with varying pH produced broad peaks in X-ray diffraction and contained dominantly Fe and CO3 when probed with X-ray photoelectron spectroscopy. Reduced pair distribution function (PDF) analysis shows only peaks corresponding to interatomic distances below 15 Å, reflecting a material with no long range structural order. Moreover, PDF peak positions differ from those for known iron carbonates and hydroxides. Mössbauer spectra also deviate from those expected for known iron carbonates and suggest a less crystalline structure. These data show that a previously unidentified iron carbonate precursor phase formed. Its coherent scattering domains determined from PDF analysis are slightly larger than for amorphous calcium carbonate, suggesting that the precursor could be nanocrystalline. Replica exchange molecular dynamics simulations of Fe-carbonate polynuclear complexes yield PDF peak positions that agree well with those from experiments, offering the possibility that the material is a condensate of such complexes, assembled in a relatively unorganised fashion. If this is the case, the material could be nearly amorphous, rather than being composed of well defined nanocrystals. PDF measurements of samples ageing in solution coupled with refinement with the software PDFgui show that the material transforms to siderite or siderite/chukanovite mixtures within hours and that the transformation rate depends on pH. The identified Fe-carbonate precursor may potentially form during anaerobic corrosion or bacterial Fe reduction.

  2. Amylose Phase Composition As Analyzed By FTIR In A Temperature Ramp: Influence Of Short Range Order On The Thermodynamic Properties

    NASA Astrophysics Data System (ADS)

    Bernazzani, Paul; Delmas, Genevieve

    1998-03-01

    Amylose, a major component of starch, is one of the most important biopolymers, being mainly associated with the pharmacological and food industries. Although widely studied, a complete control and understanding of the physical properties of amylose is still lacking. It is well known that structure and phase transition are important aspects of the functionality of biopolymers since they influence physical attributes such as appearance, digestibility, water holding capacity, etc. In the past, we have studied polyethylene phase composition by DSC in a very slow temperature (T) ramp (1K/h) and have demonstrated the presence and importance of short-range order on the polymer and its characteristics. In this study, we evaluated the phase composition of potato amylose and associated the thermodynamic properties with the presence of short-range order. Two methods were correlated, DSC (in a 1K/h T-ramp) and FTIR as a function of temperature, also in a 1K/h T-ramp. The effects of the various phases on thermodynamic properties such as gelation and enzyme or chemical resistance are discussed.

  3. Transition from Short-Range to Long-Range Order in Lead-Bismuthate Oxide Glass Matrices

    NASA Astrophysics Data System (ADS)

    Simon, V.; Pop, R.; Simon, S.

    Glass transition and nucleation temperatures as well as densities and molar volumes of xBi2O3.yPbO (0.5<=x/y<=4) are reported. The glass transition temperature and molar volume are further analysed in terms of structural data. The obtained results indicate the occurrence of structural changes from short range to long range order induced by the heat treatment applied at 550°C, as per DTA results. These changes depend on the x/y ratio between Bi2O3 and PbO content. The compositional variation of the molar volume of untreated and heat-treated samples are evidences that both Bi2O3 and PbO play the role of network formers.

  4. Understanding the Cu-Zn brass alloys using a short-range-order cluster model: Significance of specific compositions of industrial alloys

    SciTech Connect

    Hong, H. L.; Wang, Q.; Dong, C.; Liaw, Peter K.

    2014-11-17

    Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn a-brasses. A new structural approach, the cluster-plus-glue-atom model, is introduced, which suits specifically for the description of short-range-order structures in disordered systems. Two types of formulas are pointed out, [Zn-Cu12]Zn1,6 and [Zn-Cu12](Zn,Cu)6, which explain the a-brasses listed in the American Society for Testing and Materials (ASTM) specifications. In these formulas, the bracketed parts represent the 1st-neighbor cluster, and each cluster is matched with one to six 2nd-neighbor Zn atoms or with six mixed (Zn,Cu) atoms. Such a cluster-based formulism describes the 1st- and 2nd-neighbor local atomic units where the solute and solvent interactions are ideally satisfied. The Cu-Ni industrial alloys are also explained, thus proving the universality of the cluster-formula approach in understanding the alloy selections. The revelation of the composition formulas for the Cu-(Zn,Ni) industrial alloys points to the common existence of simple composition rules behind seemingly complex chemistries of industrial alloys, therefore offering a fundamental and practical method towards composition interpretations of all kinds of alloys.

  5. Understanding the Cu-Zn brass alloys using a short-range-order cluster model: Significance of specific compositions of industrial alloys

    DOE PAGES

    Hong, H. L.; Wang, Q.; Dong, C.; ...

    2014-11-17

    Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn a-brasses. A new structural approach, the cluster-plus-glue-atom model, is introduced, which suits specifically for the description of short-range-order structures in disordered systems. Two types of formulas are pointed out, [Zn-Cu12]Zn1,6 and [Zn-Cu12](Zn,Cu)6, which explain the a-brasses listed in the American Society for Testing and Materials (ASTM) specifications. In these formulas, the bracketed parts represent the 1st-neighbor cluster, and eachmore » cluster is matched with one to six 2nd-neighbor Zn atoms or with six mixed (Zn,Cu) atoms. Such a cluster-based formulism describes the 1st- and 2nd-neighbor local atomic units where the solute and solvent interactions are ideally satisfied. The Cu-Ni industrial alloys are also explained, thus proving the universality of the cluster-formula approach in understanding the alloy selections. The revelation of the composition formulas for the Cu-(Zn,Ni) industrial alloys points to the common existence of simple composition rules behind seemingly complex chemistries of industrial alloys, therefore offering a fundamental and practical method towards composition interpretations of all kinds of alloys.« less

  6. Incommensurate short-range multipolar order parameter of phase II in Ce3Pd20Si6

    NASA Astrophysics Data System (ADS)

    Portnichenko, P. Y.; Paschen, S.; Prokofiev, A.; Vojta, M.; Cameron, A. S.; Mignot, J.-M.; Ivanov, A.; Inosov, D. S.

    2016-12-01

    The clathrate compound Ce3Pd20Si6 is a heavy-fermion metal that exhibits magnetically hidden order at low temperatures. Reputedly, this exotic type of magnetic ground state, known as "phase II", could be associated with the ordering of Ce 4 f quadrupolar moments. In contrast to conventional (dipolar) order, it has vanishing Bragg intensity in zero magnetic field and, as a result, has escaped direct observation by neutron scattering until now. Here we report the observation of diffuse magnetic neutron scattering induced by an application of magnetic field along either the [1 1 ¯0 ] or the [001 ] direction within phase II. The broad elastic magnetic signal that surrounds the (111) structural Bragg peak can be attributed to a short-range G -type antiferromagnetic arrangement of field-induced dipoles modulated by the underlying multipolar order on the simple-cubic sublattice of Ce ions occupying the 8 c Wyckoff site. In addition, for magnetic fields applied along the [001 ] direction, the diffuse magnetic peaks in Ce3Pd20Si6 become incommensurate, suggesting a more complex modulated structure of the underlying multipolar order that can be continuously tuned by a magnetic field.

  7. Thermal ageing and short-range ordering of Alloy 690 between 350 and 550 °C

    NASA Astrophysics Data System (ADS)

    Mouginot, Roman; Sarikka, Teemu; Heikkilä, Mikko; Ivanchenko, Mykola; Ehrnstén, Ulla; Kim, Young Suk; Kim, Sung Soo; Hänninen, Hannu

    2017-03-01

    Thermal ageing of Alloy 690 triggers an intergranular (IG) carbide precipitation and is known to promote an ordering reaction causing lattice contraction. It may affect the long-term primary water stress corrosion cracking (PWSCC) resistance of pressurized water reactor (PWR) components. Four conditions of Alloy 690 (solution annealed, cold-rolled and/or heat-treated) were aged between 350 and 550 °C for 10 000 h and characterized. Although no direct observation of ordering was made, variations in hardness and lattice parameter were attributed to the formation of short-range ordering (SRO) in all conditions with a peak level at 420 °C, consistent with the literature. Prior heat treatment induced ordering before thermal ageing. At higher temperatures, stress relaxation, recrystallization and α-Cr precipitation were observed in the cold-worked samples, while a disordering reaction was inferred in all samples based on a decrease in hardness. IG precipitation of M23C6 carbides increased with increasing ageing temperature in all conditions, as well as diffusion-induced grain boundary migration (DIGM).

  8. Large magnetoelectric coupling in magnetically short-range ordered Bi5Ti3FeO15 film

    PubMed Central

    Zhao, Hongyang; Kimura, Hideo; Cheng, Zhenxiang; Osada, Minoru; Wang, Jianli; Wang, Xiaolin; Dou, Shixue; Liu, Yan; Yu, Jianding; Matsumoto, Takao; Tohei, Tetsuya; Shibata, Naoya; Ikuhara, Yuichi

    2014-01-01

    Multiferroic materials, which offer the possibility of manipulating the magnetic state by an electric field or vice versa, are of great current interest. However, single-phase materials with such cross-coupling properties at room temperature exist rarely in nature; new design of nano-engineered thin films with a strong magneto-electric coupling is a fundamental challenge. Here we demonstrate a robust room-temperature magneto-electric coupling in a bismuth-layer-structured ferroelectric Bi5Ti3FeO15 with high ferroelectric Curie temperature of ~1000 K. Bi5Ti3FeO15 thin films grown by pulsed laser deposition are single-phase layered perovskit with nearly (00l)-orientation. Room-temperature multiferroic behavior is demonstrated by a large modulation in magneto-polarization and magneto-dielectric responses. Local structural characterizations by transmission electron microscopy and Mössbauer spectroscopy reveal the existence of Fe-rich nanodomains, which cause a short-range magnetic ordering at ~620 K. In Bi5Ti3FeO15 with a stable ferroelectric order, the spin canting of magnetic-ion-based nanodomains via the Dzyaloshinskii-Moriya interaction might yield a robust magneto-electric coupling of ~400 mV/Oe·cm even at room temperature. PMID:24918357

  9. Large magnetoelectric coupling in magnetically short-range ordered Bi5Ti3FeO15 film

    NASA Astrophysics Data System (ADS)

    Zhao, Hongyang; Kimura, Hideo; Cheng, Zhenxiang; Osada, Minoru; Wang, Jianli; Wang, Xiaolin; Dou, Shixue; Liu, Yan; Yu, Jianding; Matsumoto, Takao; Tohei, Tetsuya; Shibata, Naoya; Ikuhara, Yuichi

    2014-06-01

    Multiferroic materials, which offer the possibility of manipulating the magnetic state by an electric field or vice versa, are of great current interest. However, single-phase materials with such cross-coupling properties at room temperature exist rarely in nature; new design of nano-engineered thin films with a strong magneto-electric coupling is a fundamental challenge. Here we demonstrate a robust room-temperature magneto-electric coupling in a bismuth-layer-structured ferroelectric Bi5Ti3FeO15 with high ferroelectric Curie temperature of ~1000 K. Bi5Ti3FeO15 thin films grown by pulsed laser deposition are single-phase layered perovskit with nearly (00l)-orientation. Room-temperature multiferroic behavior is demonstrated by a large modulation in magneto-polarization and magneto-dielectric responses. Local structural characterizations by transmission electron microscopy and Mössbauer spectroscopy reveal the existence of Fe-rich nanodomains, which cause a short-range magnetic ordering at ~620 K. In Bi5Ti3FeO15 with a stable ferroelectric order, the spin canting of magnetic-ion-based nanodomains via the Dzyaloshinskii-Moriya interaction might yield a robust magneto-electric coupling of ~400 mV/Oe.cm even at room temperature.

  10. Modular organization of directionally tuned cells in the motor cortex: Is there a short-range order?

    NASA Astrophysics Data System (ADS)

    Amirikian, Bagrat; Georgopoulos, Apostolos P.

    2003-10-01

    We investigated the presence of short-range order (<600 μm) in the directional properties of neurons in the motor cortex of the monkey. For that purpose, we developed a quantitative method for the detection of functional cortical modules and used it to examine such potential modules formed by directionally tuned cells. In the functional domain, we labeled each cell by its preferred direction (PD) vector in 3D movement space; in the spatial domain, we used the position of the tip of the recording microelectrode as the cell's coordinate. The images produced by this method represented two orthogonal dimensions in the cortex; one was parallel ("horizontal") and the other perpendicular ("vertical") to the cortical layers. The distribution of directionally tuned cells in these dimensions was nonuniform and highly structured. Specifically, cells with similar PDs tended to segregate into vertically oriented minicolumns 50-100 μm wide and at least 500 μm high. Such minicolumns aggregated across the horizontal dimension in a secondary structure of higher order. In this structure, minicolumns with similar PDs were 200 μm apart and were interleaved with minicolumns representing nearly orthogonal PDs; in addition, nonoverlapping columns representing nearly opposite PDs were 350 μm apart.

  11. Short-range ordered photonic structures of lamellae-forming diblock copolymers for excitation-regulated fluorescence enhancement

    NASA Astrophysics Data System (ADS)

    Kim, Se Hee; Kim, Ki-Se; Char, Kookheon; Yoo, Seong Il; Sohn, Byeong-Hyeok

    2016-05-01

    Photonic crystals can be represented by periodic nanostructures with alternating refractive indices, which create artificial stop bands with the appearance of colors. In this regard, nanodomains of block copolymers and the corresponding structural colors have been intensively studied in the past. However, the practical application of photonic crystals of block copolymers has been limited to a large degree because of the presence of large defects and grain boundaries in the nanodomains of block copolymers. The present study focuses on the alternative opportunity of short-range ordered nanodomains of block copolymers for fluorescence enhancement, which also has a direct relevance to the development of fluorescence sensors or detectors. The enhancement mechanism was found to be interconnected with the excitation process rather than the alternation of the decay kinetics. In particular, we demonstrate that randomly oriented, but regular grains of lamellae of polystyrene-block-polyisoprene, PS-b-PI, diblock copolymers and their blend with PS homopolymers can behave as Bragg mirrors to induce multiple reflections of the excitation source inside the photonic structures. This process in turn significantly increases the effective absorption of the given fluorophores inside the polymeric photonic structures to amplify the fluorescence signal.Photonic crystals can be represented by periodic nanostructures with alternating refractive indices, which create artificial stop bands with the appearance of colors. In this regard, nanodomains of block copolymers and the corresponding structural colors have been intensively studied in the past. However, the practical application of photonic crystals of block copolymers has been limited to a large degree because of the presence of large defects and grain boundaries in the nanodomains of block copolymers. The present study focuses on the alternative opportunity of short-range ordered nanodomains of block copolymers for fluorescence

  12. Bona-fide method for the determination of short range order and transport properties in a ferro-aluminosilicate slag

    PubMed Central

    Karalis, Konstantinos T.; Dellis, Dimitrios; Antipas, Georgios S. E.; Xenidis, Anthimos

    2016-01-01

    The thermodynamics, structural and transport properties (density, melting point, heat capacity, thermal expansion coefficient, viscosity and electrical conductivity) of a ferro-aluminosilicate slag have been studied in the solid and liquid state (1273–2273 K) using molecular dynamics. The simulations were based on a Buckingham-type potential, which was extended here, to account for the presence of Cr and Cu. The potential was optimized by fitting pair distribution function partials to values determined by Reverse Monte Carlo modelling of X-ray and neutron diffraction experiments. The resulting short range order features and ring statistics were in tight agreement with experimental data and created consensus for the accurate prediction of transport properties. Accordingly, calculations yielded rational values both for the average heat capacity, equal to 1668.58 J/(kg·K), and for the viscosity, in the range of 4.09–87.64 cP. The potential was consistent in predicting accurate values for mass density (i.e. 2961.50 kg/m3 vs. an experimental value of 2940 kg/m3) and for electrical conductivity (5.3–233 S/m within a temperature range of 1273.15–2273.15 K). PMID:27455915

  13. Interplay between Long-Range Crystal Order and Short-Range Molecular Interactions Tunes Carrier Mobility in Liquid Crystal Dyes

    PubMed Central

    2017-01-01

    We investigated the influence of molecular packing on the optical and electrical properties of the liquid crystalline dye 4,7-bis[5-(2-fluoro-4-pentyl-phenyl)-2-thienyl]-2,1,3-benzothiadiazole (FPPTB). FPPTB is crystalline at room temperature, exhibits a nematic phase at temperatures above 149 °C and is in an isotropic melt at temperatures above 230 °C. Solution processed FPPTB films were subject to thermal annealing through these phase transition temperatures and characterized with X-ray diffraction and polarized optical microscopy. Cooling FPPTB films from the nematic and isotropic phases increased crystal domain size, but also induced local structural variations in the molecular packing of crystalline FPPTB. The decrease in long-range order was correlated with an increase in short-range π–π interactions, leading to changes in molecular aggregation which persisted even when the FPPTB films were cooled to room temperature. Annealing-induced changes in molecular aggregation were confirmed with optical spectroscopy. The carrier mobility in FPPTB films increased over 2 orders of magnitude from (2.2 ± 0.4) × 10–5 cm2 V–1 s–1 in as-spun films to μ = (5.0 ± 0.8) × 10–3 cm2 V–1 s–1 in films cooled from the isotropic melt. We discuss the relationship between thermal stability and high carrier mobility values in terms of the interplay between long-range molecular order and increased π–π interactions between molecular pairs in the FPPTB film. PMID:28139915

  14. Bound states of the spin-orbit coupled ultracold atom in a one-dimensional short-range potential

    SciTech Connect

    Jursenas, Rytis; Ruseckas, Julius

    2013-05-15

    We solve the bound state problem for the Hamiltonian with the spin-orbit and the Raman coupling included. The Hamiltonian is perturbed by a one-dimensional short-range potential V which describes the impurity scattering. In addition to the bound states obtained by considering weak solutions through the Fourier transform or by solving the eigenvalue equation on a suitable domain directly, it is shown that ordinary point-interaction representations of V lead to spin-orbit induced extra states.

  15. Simultaneous occurrence of multiferroism and short-range magnetic order in DyFeO3

    SciTech Connect

    Wang, Jinchen; Liu, Juanjuan; Sheng, Jieming; Luo, Wei; Ye, Feng; Zhao, Zhiying; Sun, Xuefeng; Danilkin, Sergey A.; Deng, Guochu; Bao, Wei

    2016-04-06

    In this paper, we present a combined neutron scattering and magnetization study on the multiferroic DyFeO3, which shows a very strong magnetoelectric effect. Applying magnetic field along the c axis, the weak ferromagnetic order of the Fe ions is quickly recovered from a spin reorientation transition, and the long-range antiferromagnetic order of Dy becomes a short-range one. We found that the short-range order concurs with the multiferroic phase and is responsible for its sizable hysteresis. In conclusion, our H-T phase diagram suggests that the strong magnetoelectric effect in DyFeO3 has to be understood with not only the weak ferromagnetism of Fe but also the short-range antiferromagnetic order of Dy.

  16. Hyperfine and X-ray investigations of amorphous Fe2Er and Fe2Ce alloys and the effect of hydrogenation on short-range order

    NASA Astrophysics Data System (ADS)

    Ghafari, M.; Keune, W.; Matsuura, M.; Schletz, K. P.

    1990-07-01

    The effect of hydrogenation on the short-range order of amorphous Fe2Er and Fe2Ce alloys has been investigated by Mössbauer, X-ray and magnetization measurements. The hydrogenation leads to drastic changes in the short-range order. The results of Mössbauer measurements show two different distributions of magnetic hyperfine fields for amorphous Fe2CeH4 alloys (a-Fe2CeH4). For a-Fe2ErH3 alloys we found drastic changes in magnetic structure, which is different from the well-known magnetic structures.

  17. Stripe and Short Range Order in the Charge Density Wave of 1 T -CuxTiSe2

    NASA Astrophysics Data System (ADS)

    Novello, A. M.; Spera, M.; Scarfato, A.; Ubaldini, A.; Giannini, E.; Bowler, D. R.; Renner, Ch.

    2017-01-01

    We study the impact of Cu intercalation on the charge density wave (CDW) in 1 T -CuxTiSe2 by scanning tunneling microscopy and spectroscopy. Cu atoms, identified through density functional theory modeling, are found to intercalate randomly on the octahedral site in the van der Waals gap and to dope delocalized electrons near the Fermi level. While the CDW modulation period does not depend on Cu content, we observe the formation of charge stripe domains at low Cu content (x <0.02 ) and a breaking up of the commensurate order into 2 ×2 domains at higher Cu content. The latter shrink with increasing Cu concentration and tend to be phase shifted. These findings invalidate a proposed excitonic pairing as the primary CDW formation mechanism in this material.

  18. Short-range order of undercooled melts of PdZr2 intermetallic compound studied by X-ray and neutron scattering experiments

    NASA Astrophysics Data System (ADS)

    Klein, S.; Holland-Moritz, D.; Herlach, D. M.; Mauro, N. A.; Kelton, K. F.

    2013-05-01

    The short-range order in undercooled melts of the intermetallic Zr2Pd glass-forming alloy is investigated by combining electrostatic levitation (ESL) with high-energy X-ray diffraction and neutron diffraction. Experimentally determined structure factors are measured and analyzed with respect to various structures of short-range order. The comparative X-ray and neutron scattering experiments allow for investigations of topological and chemical short-range order. Based on these studies, no preference of a specific short-range order is found for the liquid Zr2Pd glass-forming alloy, even in the metastable state of the deeply undercooled melt. This is in agreement with an earlier report from X-ray diffraction and molecular-dynamics studies of a Zr75.5Pd24.5 liquid, which showed a broad distribution of cluster types. The results for the Zr2Pd liquid are discussed with respect to the glass-forming ability of this melt.

  19. Phonon coupling to dynamic short-range polar order in a relaxor ferroelectric near the morphotropic phase boundary

    NASA Astrophysics Data System (ADS)

    Schneeloch, John A.; Xu, Zhijun; Winn, B.; Stock, C.; Gehring, P. M.; Birgeneau, R. J.; Xu, Guangyong

    2015-12-01

    We report neutron inelastic scattering experiments on single-crystal PbMg1 /3Nb2 /3O3 doped with 32% PbTiO3, a relaxor ferroelectric that lies close to the morphotropic phase boundary. When cooled under an electric field E ∥ [001] into tetragonal and monoclinic phases, the scattering cross section from transverse acoustic (TA) phonons polarized parallel to E weakens and shifts to higher energy relative to that under zero-field-cooled conditions. Likewise, the scattering cross section from transverse optic (TO) phonons polarized parallel to E weakens for energy transfers 4 ≤ℏ ω ≤9 meV. However, TA and TO phonons polarized perpendicular to E show no change. This anisotropic field response is similar to that of the diffuse scattering cross section, which, as previously reported, is suppressed when polarized parallel to E but not when polarized perpendicular to E . Our findings suggest that the lattice dynamics and dynamic short-range polar correlations that give rise to the diffuse scattering are coupled.

  20. Phonon coupling to dynamic short-range polar order in a relaxor ferroelectric near the morphotropic phase boundary

    DOE PAGES

    John A. Schneeloch; Xu, Zhijun; Winn, B.; ...

    2015-12-28

    We report neutron inelastic scattering experiments on single-crystal PbMg1/3Nb2/3O3 doped with 32% PbTiO3, a relaxor ferroelectric that lies close to the morphotropic phase boundary. When cooled under an electric field E∥ [001] into tetragonal and monoclinic phases, the scattering cross section from transverse acoustic (TA) phonons polarized parallel to E weakens and shifts to higher energy relative to that under zero-field-cooled conditions. Likewise, the scattering cross section from transverse optic (TO) phonons polarized parallel to E weakens for energy transfers 4 ≤ ℏω ≤ 9 meV. However, TA and TO phonons polarized perpendicular to E show no change. This anisotropicmore » field response is similar to that of the diffuse scattering cross section, which, as previously reported, is suppressed when polarized parallel to E but not when polarized perpendicular to E. Lastly, our findings suggest that the lattice dynamics and dynamic short-range polar correlations that give rise to the diffuse scattering are coupled.« less

  1. Phonon coupling to dynamic short-range polar order in a relaxor ferroelectric near the morphotropic phase boundary

    SciTech Connect

    John A. Schneeloch; Xu, Zhijun; Winn, B.; Stock, C.; Gehring, P. M.; Birgeneau, R. J.; Xu, Guangyong

    2015-12-28

    We report neutron inelastic scattering experiments on single-crystal PbMg1/3Nb2/3O3 doped with 32% PbTiO3, a relaxor ferroelectric that lies close to the morphotropic phase boundary. When cooled under an electric field E∥ [001] into tetragonal and monoclinic phases, the scattering cross section from transverse acoustic (TA) phonons polarized parallel to E weakens and shifts to higher energy relative to that under zero-field-cooled conditions. Likewise, the scattering cross section from transverse optic (TO) phonons polarized parallel to E weakens for energy transfers 4 ≤ ℏω ≤ 9 meV. However, TA and TO phonons polarized perpendicular to E show no change. This anisotropic field response is similar to that of the diffuse scattering cross section, which, as previously reported, is suppressed when polarized parallel to E but not when polarized perpendicular to E. Lastly, our findings suggest that the lattice dynamics and dynamic short-range polar correlations that give rise to the diffuse scattering are coupled.

  2. Observation of electronic states on Si(111)-(7 x 7) through short-range attractive force with noncontact atomic force spectroscopy.

    PubMed

    Arai, T; Tomitori, M

    2004-12-17

    We experimentally reveal that the short-range attractive force between a Si tip and a Si(111)-(7 x 7) surface is enhanced at specified bias voltages; we conduct force spectroscopy based on noncontact atomic force microscopy with changing bias voltage at a fixed separation. The spectra exhibit prominent peaks and a broad peak, which are attributed to quantum mechanical resonance as the energy levels of sample surface states are tuned to those of the tip states by shifting the Fermi level through changing bias voltage, and to the resonating states over a lowered tunneling barrier, respectively.

  3. Comparing the activity of aluminum in two B horizons developed from volcanic ash deposits in Japan, dominated by short-range ordered aluminosilicates and crystalline clay minerals, respectively

    NASA Astrophysics Data System (ADS)

    Yagasaki, Yasumi; Mulder, Jan; Okazaki, Masanori

    2006-01-01

    Mechanisms controlling the activity of free aluminum (Al) in Bw1 horizons of soils developed from volcanic ash deposits in Japan were investigated by means of acid-base titrations and kinetic studies. In a Bw1 horizon, with a high content of acid-oxalate extractable Al, soil solution reached equilibrium with short-range ordered aluminosilicates in the order of days. Relatively fast kinetics of the release and precipitation of Al and Si indicate a high reactivity of short-range ordered aluminosilicates in the soil. In the Bw1 horizon of an adjacent soil, with a high content of crystalline clay minerals like halloysite and interlayered vermiculite, solution remained well undersaturated with respect to short-range ordered aluminosilicates and aluminum hydroxide. Apparent equilibrium with respect to halloysite occurred after more than 30 days. This halloysite ( logKso0=3.74±0.02 (25 °C)) has a solubility that is less than that reported in the literature ( logKso0=4.36 (25°C)). Our findings suggest that different reactive aluminosilicates may control the activity of free Al in sub-surface horizons of volcanic ash soils with different mineralogy.

  4. Short-range order of low-coverage Ti /Al(111): Implications for hydrogen storage in complex metal hydrides

    NASA Astrophysics Data System (ADS)

    Muller, E.; Sutter, E.; Zahl, P.; Ciobanu, C. V.; Sutter, P.

    2007-04-01

    Using scanning tunneling microscopy and density functional theory, we characterize the population of low-coverage Ti atoms on Al(111) as a model surface system for transition metal doped alanate hydrogen storage compounds, such as NaAlH4. When deposited at room temperature, Ti is kinetically trapped in first-layer substitutional sites, avoids nearest-neighbor locations, and preferentially forms next-nearest-neighbor pairs, similar to a structure that has been predicted to dissociate H2 with no energy barrier. The results on this well-defined system suggest the presence of a large population of Ti-pair complexes that may catalyze the dissociative chemisorption of hydrogen in Ti-doped alanate storage materials.

  5. Short-ranged and short-lived charge-density-wave order and pseudogap features in underdoped cuprate superconductors

    NASA Astrophysics Data System (ADS)

    Greco, Andrés; Bejas, Matías

    2011-06-01

    The pseudogap phase of high-Tc cuprates is controversially attributed to preformed pairs or to a phase which coexists and competes with superconductivity. One of the challenges is to develop theoretical and experimental studies in order to distinguish between both proposals. Very recently, researchers at Stanford have reported [M. Hashimoto , Nat. Phys.PRLTAO1745-247310.1038/nphys1632 6, 414 (2010); R.-H. He , ScienceSCIEAS0036-807510.1126/science.1198415 331, 1579 (2011)] angle-resolved photoemission spectroscopy experiments on Pb-Bi2201 supporting the point of view that the pseudogap is distinct from superconductivity and associated to a spacial symmetry breaking without long-range order. In this paper, we show that many features reported by these experiments can be described in the framework of the t-J model considering self-energy effects in the proximity to a d charge-density-wave instability.

  6. Chemical inhomogeneity, short-range order, and magnetism in the LiNiO2 -NiO solid solution.

    PubMed

    Barton, Phillip T; Premchand, Y Daniel; Chater, Philip A; Seshadri, Ram; Rosseinsky, Matthew J

    2013-10-18

    NiO:Li is an early exemplar for which hole-doping of a correlated insulator gives rise to rich and varied magnetic behavior. It is also an important system from the viewpoint of p-type transparent conducting oxides, and is representative of a large class of materials that have been used in lithium ion batteries, since the end-member compound, LiNiO2 , belongs to the class of layered cathode materials. Despite the deceptive structural and compositional simplicity of this system, a complete understanding of its complex magnetic properties has remained elusive. Here a comprehensive investigation of the solid solution Lix Ni2-x O2 , examining samples of precise stoichiometry using a combination of high-resolution synchrotron X-ray powder diffraction and SQUID magnetometry, is provided. The focus is on the interesting region between 0.40ordering temperature changes drastically with composition. The magnetism evolves from strong G-type antiferromagnetism of x=0.40 with TN =327 K to robust uncompensated magnetic order at TN =240 K when x is close to 0.7, and to glassy A-type antiferromagnetism of x=1.00 at TN =9 K. This study demonstrates this magnetic behavior is linked to the Li-Ni chemical order that develops from short- to long-range. The interfaces between ordered domains give rise to magnetic exchange bias, which manifests as a shift in the magnetization-field loop for samples with nanoscale coherence lengths (0.54

  7. Evidence for short-range-ordered charge stripes far above the charge-ordering transition in La1.67Sr0.33NiO4.

    PubMed

    Abeykoon, A M Milinda; Božin, Emil S; Yin, Wei-Guo; Gu, Genda; Hill, John P; Tranquada, John M; Billinge, Simon J L

    2013-08-30

    The temperature evolution of structural effects associated with charge order (CO) and spin order in La1.67Sr0.33NiO4 has been investigated using neutron powder diffraction. We report an anomalous shrinking of the c/a lattice parameter ratio that correlates with T(CO). The sign of this change can be explained by the change in interlayer Coulomb energy between the static-stripe-ordered state and the fluctuating-stripe-ordered state or the charge-disordered state. In addition, we identify a contribution to the mean-square displacements of Ni and in-plane O atoms whose width correlates quite well with the size of the pseudogap extracted from the reported optical conductivity, with a non-Debye-like component that persists below and well above T(CO). We infer that dynamic charge-stripe correlations survive to T∼2T(CO).

  8. Evidence for Short-Range-Ordered Charge Stripes Far above the Charge-Ordering Transition in La1.67Sr0.33NiO4

    NASA Astrophysics Data System (ADS)

    Abeykoon, A. M. Milinda; Božin, Emil S.; Yin, Wei-Guo; Gu, Genda; Hill, John P.; Tranquada, John M.; Billinge, Simon J. L.

    2013-08-01

    The temperature evolution of structural effects associated with charge order (CO) and spin order in La1.67Sr0.33NiO4 has been investigated using neutron powder diffraction. We report an anomalous shrinking of the c/a lattice parameter ratio that correlates with TCO. The sign of this change can be explained by the change in interlayer Coulomb energy between the static-stripe-ordered state and the fluctuating-stripe-ordered state or the charge-disordered state. In addition, we identify a contribution to the mean-square displacements of Ni and in-plane O atoms whose width correlates quite well with the size of the pseudogap extracted from the reported optical conductivity, with a non-Debye-like component that persists below and well above TCO. We infer that dynamic charge-stripe correlations survive to T˜2TCO.

  9. Evidence for Short-Range-Ordered Charge Stripes Far above the Charge-Ordering Transition in La1.67Sr0.33NiO4

    NASA Astrophysics Data System (ADS)

    Abeykoon, A. M. Milinda; Bozin, Emil S.; Yin, Wei-Guo; Gu, Genda; Hill, John P.; Tranquada, John M.; Billinge, Simon J. L.

    2015-03-01

    The temperature evolution of structural modulation associated with charge and spin order in La1.67Sr0.33NiO4 has been investigated using neutron powder diffraction. For the first time we report an anomalous shrinking of the c/a lattice parameter ratio that correlates with TCO at the temperature where long-range stacking order of charge stripes disappears. The sign of this change can be explained by the change in interlayer Coulomb energy between the static-stripe-ordered state and the fluctuating-stripe-ordered state or the charge-disordered state. In addition, we identify a contribution to the mean-square displacements of Ni and in-plane O atoms whose width correlates quite well with the size of the pseudogap extracted from the reported optical conductivity, with a non-Debye-like component that persists below and well above TCO. Local structural parameters in the atomic pair distribution function (PDF) well-agree with this result. We infer that dynamic charge-stripe correlations survive to T ~ 2TCO. This work was supported by the DOE Grant, DE- AC02-98CH10886.

  10. Cluster perturbation theory in Hubbard model exactly taking into account the short-range magnetic order in 2 x 2 cluster

    SciTech Connect

    Nikolaev, S. V. Ovchinnikov, S. G.

    2010-10-15

    The cluster perturbation theory is presented in the 2D Hubbard model constructed using X operators in the Hubbard-I approximation. The short-range magnetic order is taken into account by dividing the entire lattice into individual 2 x 2 clusters and solving the eigenvalue problem in an individual cluster using exact diagonalization taking into account all excited levels. The case of half-filling taking into account jumps between nearest neighbors is considered. As a result of numerical solution, a shadow zone is discovered in the quasiparticle spectrum. It is also found that a gap in the density of states in the quasiparticle spectrum at zero temperature exists for indefinitely small values of Coulomb repulsion parameter U and increases with this parameter. It is found that the presence of this gap in the spectrum is due to the formation of a short-range antiferromagnetic order. An analysis of the temperature evolution of the density of states shows that the metal-insulator transition occurs continuously. The existence of two characteristic energy scales at finite temperatures is demonstrated, the larger scale is associated with the formation of a pseudogap in the vicinity of the Fermi level, and the smaller scale is associated with the metal-insulator transition temperature. A peak in the density of states at the Fermi level, which is predicted in the dynamic mean field theory in the vicinity of the metal-insulator transition, is not observed.

  11. Spin dynamics, short range order and spin freezing in Y0.5Ca0.5BaCo4O7

    SciTech Connect

    Stewart, John Ross; Ehlers, Georg; Fouquet, Peter; Mutka, Hannu; Payen, Christophe; Lortz, Rolf

    2011-01-01

    Y0.5Ca0.5BaCo4O7 was recently introduced as a possible candidate for capturing some of the predicted classical spin kagome ground-state features. Stimulated by this conjecture, we have taken up a more complete study of the spin correlations in this compound with neutron scattering methods on a powder sample characterized with high-resolution neutron diffraction and the temperature dependence of magnetic susceptibility and specific heat. We have found that the frustrated near-neighbor magnetic correlations involve not only the kagome planes but concern the full Co sublattice, as evidenced by the analysis of the wave-vector dependence of the short-range order. We conclude from our results that the magnetic moments are located on the Co sublattice as a whole and that correlations extend beyond the two-dimensional kagome planes. We identify intriguing dynamical properties, observing high-frequency fluctuations with a Lorentzian linewidth G?20 meV at ambient temperature. On cooling a low-frequency ({approx}1 meV) dynamical component develops alongside the high-frequency fluctuations, which eventually becomes static at temperatures below T {approx} 50 K. The high-frequency response with an overall linewidth of {approx}10 meV prevails at T?2 K, coincident with a fully elastic short-range-ordered contribution.

  12. Defect-induced short-range-order from a spin-ice related state in deformed pyrochlore Co2(OH)3Cl

    NASA Astrophysics Data System (ADS)

    Zheng, X. G.; Hagihala, M.; Kawae, T.; Xu, C. N.

    2008-01-01

    Recently, we observed a kagome-ice-like partial ferromagnetic order with coexisting fluctuation in a deformed pyrochlore structure Co2(OH)3Cl . Here, we show that when lattice defects are present, the remaining fluctuating spins in this material further freeze at lower temperatures below Torder near TC=10K . This low-temperature transition is glasslike requiring an extremely slow relaxation process in Co2(OH)3Cl . Enhanced disorder in (Co1-xAlx)2(OH)3Cl leads to a short-range order for the fluctuating spins. This result can be considered as an interesting analogy to the low-temperature anomaly in defect-containing pure and doped water ice, especially in the light of its relevance to the problem of residual entropy in ice-water or spin-ice transition.

  13. Short-range Fundamental forces

    SciTech Connect

    Antoniadis, I; Baessler, Stefan; Buechner, M; Fedorov, General Victor; Hoedl, S.; Lambrecht, A; Nesvizhevsky, V.; Pignol, G; Reynaud, S.; Sobolev, Yu.

    2011-01-01

    We consider theoretical motivations to search for extra short-range fundamental forces as well as experiments constraining their parameters. The forces could be of two types: (1) spin-independent forces; and (2) spin-dependent axion-like forces. Different experimental techniques are sensitive in respective ranges of characteristic distances. The techniques include measurements of gravity at short distances, searches for extra interactions on top of the Casimir force, precision atomic and neutron experiments. We focus on neutron constraints, thus the range of characteristic distances considered here corresponds to the range accessible for neutron experiments.

  14. Short-range ordering effects on the electronic Bloch spectral function of real materials in the nonlocal coherent-potential approximation

    NASA Astrophysics Data System (ADS)

    Marmodoro, Alberto; Ernst, Arthur; Ostanin, Sergei; Sandratskii, Leonid; Trevisanutto, Paolo E.; Lathiotakis, Nektarios N.; Staunton, Julie B.

    2016-12-01

    The nonlocal coherent-potential approximation provides a systematic technique for the study of short-range ordering effects in a variety of disordered systems. In its original formulation the technique, however, shows an unwanted dependence on details in the coarse-grained effective medium construction. This is particularly evident in the study of k ⃗-resolved quantities, such as the Bloch spectral function and other non-site-diagonal observables. We remove the issue and recover fully physical results in first principles studies of real materials, by means of a resampling procedure first proposed for model tight-binding Hamiltonians. The prescription is further generalized to the case of complex unit cell compounds, with more than a single sublattice, and illustrated through examples from metallic alloys and disordered local moment simulations of paramagnetism in the prototype iron-based superconductor FeSe.

  15. X-ray diffuse scattering measurements of chemical short-range order and lattice strains in a highly magnetostrictive Fe0.813Ga0.187alloy in an applied magnetic field

    SciTech Connect

    Du, Y.; Huang, M.; Lograsso, T. A.; McQueeney, R. J.

    2012-06-28

    The rapid growth of the magnetostriction coefficient of ferromagnetic Fe1-xGax alloys that occurs at a composition range from 0order-disorder transition. The structurally anisotropic precipitates are proposed to rotate in an applied magnetic field, thereby resulting in a large magnetoelastic response. X-ray diffuse scattering measurements sensitive to the atomic short-range ordering and lattice strain were performed on a quenched 18.7 at. % Ga alloy and show no dependence on the application of a magnetic field. This negative result sets limits on the role of nanoscale precipitates in magnetostriction.

  16. Short-range Incommensurate Magnetic Order Near the Superconducting Phase Boundary in Fe1+δTe1−xSex

    SciTech Connect

    Wen, J.; Xu, G.; Xu, Z.; Lin, Z.W.; Li, Q.; Ratcliff, W.; Gu, G.; Tranquada, J.M.

    2009-09-10

    We performed elastic neutron-scattering and magnetization measurements on Fe{sub 1.07}Te{sub 0.75}Se{sub 0.25} and FeTe{sub 0.7}Se{sub 0.3}. Short-range incommensurate magnetic order is observed in both samples. In the former sample with higher Fe content, a broad magnetic peak appears around (0.46,0,0.5) at low temperature, while in FeTe{sub 0.7}Se{sub 0.3}, the broad magnetic peak is found to be closer to the antiferromagnetic (AFM) wave vector (0.5,0,0.5). The incommensurate peaks are only observed on one side of the AFM wave vector for both samples, which can be modeled in terms of an imbalance of ferromagnetic/antiferromagnetic correlations between nearest-neighbor spins. We also find that with higher Se (and lower Fe) concentration, the magnetic order becomes weaker while the superconducting temperature and volume increase.

  17. Ab initio molecular dynamics model for density, elastic properties and short range order of Co-Fe-Ta-B metallic glass thin films.

    PubMed

    Hostert, C; Music, D; Bednarcik, J; Keckes, J; Kapaklis, V; Hjörvarsson, B; Schneider, J M

    2011-11-30

    Density, elastic modulus and the pair distribution function of Co-Fe-Ta-B metallic glasses were obtained by ab initio molecular dynamics simulations and measured for sputtered thin films using x-ray reflectivity, nanoindentation and x-ray diffraction using high energy photons. The computationally obtained density of 8.19 g cm(-3) for Co(43)Fe(20)Ta(5.5)B(31.5) and 8.42 g cm(-3) for Co(45.5)Fe(24)Ta(6)B(24.5), as well as the Young's moduli of 273 and 251 GPa, respectively, are consistent with our experiments and literature data. These data, together with the good agreement between the theoretical and the experimental pair distribution functions, indicate that the model established here is useful to describe the density, elasticity and short range order of Co-Fe-Ta-B metallic glass thin films. Irrespective of the investigated variation in chemical composition, (Co, Fe)-B cluster formation and Co-Fe interactions are identified by density-of-states analysis. Strong bonds within the structural units and between the metallic species may give rise to the comparatively large stiffness.

  18. Ab initio molecular dynamics simulations of short-range order in Zr50Cu45Al5 and Cu50Zr45Al5 metallic glasses

    DOE PAGES

    Huang, Yuxiang; Huang, Li; Wang, C. Z.; ...

    2016-02-01

    Comparative analysis between Zr-rich Zr50Cu45Al5 and Cu-rich Cu50Zr45Al5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr50Cu45Al5 and Cu50Zr45Al5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons < 0,0,12,0 > is dominant, and in the Cu-rich one the distorted icosahedral orders, especially < 0,2,8,2 > and < 0,2,8,1 >, are prominent. And the < 0,2,8,2 > polyhedra in Cu50Zr45Al5more » MG mainly originate from Al-centered clusters, while the < 0,0,12,0 > in Zr50Cu45Al5 derives from both Cu-centered clusters and Al-centered clusters. These difference may be ascribed to the atomic size difference and chemical property between Cu and Zr atoms. Lastly, the relatively large size of Zr and large negative heat of mixing between Zr and Al atoms, enhancing the packing density and stability of metallic glass system, may be responsible for the higher glass forming ability of Zr50Cu45Al5.« less

  19. Pockets of short-range transient order and restricted topological heterogeneity in the guanidine-denatured state ensemble of GED of dynamin.

    PubMed

    Chugh, Jeetender; Sharma, Shilpy; Hosur, Ramakrishna V

    2007-10-23

    The nature and variety in the denatured state of a protein, a non-native state under a given set of conditions, has been a subject of intense debate. Here, using multidimensional NMR, we have characterized the 6 M Gdn-HCl-denatured state of GED, the assembly domain of dynamin. Even under such strongly denaturing conditions, we detected the presence of conformations in slow exchange on the NMR chemical shift time scale. Although the GED oligomer as well as the SDS-denatured monomeric GED were seen to be predominantly helical [Chugh et al. (2006) FEBS J. 273, 388-397], the 6 M Gdn-HCl-denatured GED has largely beta-structural preferences. However, against such a background, we could detect the presence of a population with a short helical stretch (Arg42-Ile47) in the ensemble. The 1H-1H NOEs suggested presence of pockets of transient short-range order along the chain. Put together these segments may lead to a rather small number of interconverting topologically distinguishable ensembles. Spectral density analysis of 15N relaxation rates and {1H}-15N NOE, measured at 600 and 800 MHz, and comparison of J(0) with hydrophobic patches calculated using AABUF approach, indicated presence of four domains of slow motions. These coincided to a large extent with those showing significant Rex. Additionally, a proline residue in the connection between two of these domains seems to cause a fast hinge motion. These observations help enhance our understanding of protein denatured states, and of folding concepts, in general.

  20. Intricate Short-Range Ordering and Strongly Anisotropic Transport Properties of Li1–x Sn 2+x As2

    DOE PAGES

    Lee, Kathleen; Kaseman, Derrick; Sen, Sabyasachi; ...

    2015-02-22

    A new ternary compound, Li1-xSn2+xAs2, 0.2 < x < 0.4, was synthesized via solid-state reaction of elements. The compound crystallizes in a layered structure in the Rmore » $$\\overline{3}m$$ space group (No. 166) with Sn-As layers separated by layers of jointly occupied Li/Sn. The Sn-As layers are comprised of Sn3As3 puckered hexagons in a chair conformation that share all edges. Li/Sn atoms in the interlayer space are surrounded by a regular As6 octahedron. Thorough investigations by synchrotron x-ray and neutron powder diffraction indicate no long-range Li/Sn ordering. In contrast, local Sn/Li ordering was revealed by synergistic investigations via solid-state 6,7Li NMR spectroscopy, HR-TEM, and neutron and X-ray pair distribution function analyses. Due to their different chemical natures, Li and Sn atoms tend to segregate into Li-rich and Sn-rich regions creating substantial inhomogeneity on the nanoscale. Inhomogeneous local structure has high impact on the physical properties of the synthesized compounds: local Li/Sn ordering and multiple nanoscale interfaces result in unexpectedly low thermal conductivity and highly anisotropic resistivity in Li1-xSn2+xAs2.« less

  1. Short-range communication system

    NASA Technical Reports Server (NTRS)

    Alhorn, Dean C. (Inventor); Howard, David E. (Inventor); Smith, Dennis A. (Inventor)

    2012-01-01

    A short-range communication system includes an antenna, a transmitter, and a receiver. The antenna is an electrical conductor formed as a planar coil with rings thereof being uniformly spaced. The transmitter is spaced apart from the plane of the coil by a gap. An amplitude-modulated and asynchronous signal indicative of a data stream of known peak amplitude is transmitted into the gap. The receiver detects the coil's resonance and decodes same to recover the data stream.

  2. Role of composition, bond covalency, and short-range order in the disordering of stannate pyrochlores by swift heavy ion irradiation

    NASA Astrophysics Data System (ADS)

    Tracy, Cameron L.; Shamblin, Jacob; Park, Sulgiye; Zhang, Fuxiang; Trautmann, Christina; Lang, Maik; Ewing, Rodney C.

    2016-08-01

    A2S n2O7 (A =Nd ,Sm,Gd,Er,Yb,and Y) materials with the pyrochlore structure were irradiated with 2.2 GeV Au ions to systematically investigate disordering of this system in response to dense electronic excitation. Structural modifications were characterized, over multiple length scales, by transmission electron microscopy, x-ray diffraction, and Raman spectroscopy. Transformations to amorphous and disordered phases were observed, with disordering dominating the structural response of materials with small A -site cation ionic radii. Both the disordered and amorphous phases were found to possess weberite-type local ordering, differing only in that the disordered phase exhibits a long-range, modulated arrangement of weberite-type structural units into an average defect-fluorite structure, while the amorphous phase remains fully aperiodic. Comparison with the behavior of titanate and zirconate pyrochlores showed minimal influence of the high covalency of the Sn-O bond on this phase behavior. An analytical model of damage accumulation was developed to account for simultaneous amorphization and recrystallization of the disordered phase during irradiation.

  3. Magnetic properties of ultrathin discontinuous Co/Pt multilayers: Comparison with short-range ordered and isotropic CoPt3 films

    NASA Astrophysics Data System (ADS)

    Charilaou, M.; Bordel, C.; Berche, P.-E.; Maranville, B. B.; Fischer, P.; Hellman, F.

    2016-06-01

    Magnetic properties of thin Co/Pt multilayers have been investigated in order to study the dependence of magnetization M , uniaxial anisotropy Ku, and Curie temperature TC on the multilayer thickness, composition, and structure. A comparison between epitaxial submonolayer multilayers and epitaxial fcc CoPt3 alloy films with large perpendicular magnetic anisotropy (PMA) attributed to growth-induced Co clustering reveals significant differences in the temperature dependence of magnetization M (T ) , despite the presence of thin planar Co platelets in both cases. Even the thinnest discontinuous multilayered structure shows a Langevin-like M (T ) , while the alloy films with PMA show a broadened and enhanced M (T ) indicating a distribution of environments, including monolayer Co platelets separated by only 1-2 layers of Pt. These differences have been reproduced in Monte Carlo simulations, and are shown to be due to different distributions of Co-Co and Co-Pt nearest neighbors. The relatively uniform Co-Co coordination of even a discontinuous rough multilayer produces a Langevin-like M (T ) , whereas the broader distribution associated with platelets in the PMA films results in a nearly linear T dependence of M .

  4. Magnetic properties and magnetocaloric effect in Fe-doped La0.6Ca0.4MnO3 with short-range ferromagnetic order

    NASA Astrophysics Data System (ADS)

    Ho, T. A.; Thanh, T. D.; Ho, T. O.; Phan, M. H.; Phan, The-Long; Yu, S. C.

    2015-05-01

    The magnetic properties and magnetocaloric effect of La0.6Ca0.4Mn1-xFexO3 (x = 0-0.04) compounds fabricated by solid-state reaction have been studied. Magnetization measurements versus temperature revealed a decrease of the ferromagnetic-paramagnetic phase transition temperature (TC) with increasing Fe-doping content. The TC values determined for the samples with x = 0, 0.02 and 0.04 are about 260, 254 and 236 K, respectively. Based on magnetic-field dependences of magnetization, M(H), the magnetic entropy change (ΔSm) of the samples were calculated. Under an applied field change ΔH = 30 kOe, the maximum |ΔSmax| value decreases from 5.74 Jkg-1 K-1 for x = 0 to about 2.62 Jkg-1 K-1 for x = 0.04. These values correspond to relative cooling powers 140-180 J/kg, which are comparable to those of other manganites. Analyzing magnetic-field dependences of |ΔSm| for the samples indicates their power-law relation. Based on Banerjee's criteria and Franco's universal curves related to the magnetic-entropy change, we assess magnetic order existing in the samples.

  5. Dependency Ordering of Atomic Observables

    NASA Astrophysics Data System (ADS)

    Cīrulis, Jānis

    2015-12-01

    The notion of atomic observable was introduced by S.Gudder for effect test spaces in 1997. In this paper an observable is a σ-homomorphism from the Borel algebra on a line to some logic. Roughly, an observable on a logic is atomic, if it is completely determined by its restriction to one-element subsets of its point spectrum. In particular, every discrete observable is atomic. We study some elementary properties of such observables, and discuss a possible notion of functional dependency between them. Algebraically, a dependency is a certain preorder relation on the set of all atomic observables, which induces an order relation on the set of all maximal orthogonal subsets of the logic. Several properties, as well as characteristics in terms of the underlying logic, of these relations are stated.

  6. Comparison of short-range-order in liquid- and rotator-phase states of a simple molecular liquid: A reverse Monte Carlo and molecular dynamics analysis of neutron diffraction data

    SciTech Connect

    Pardo, Luis Carlos; Tamarit, Josep Lluis; Veglio, Nestor; Bermejo, Francisco Javier; Cuello, Gabriel Julio

    2007-10-01

    The short-range order (SRO) correlations in liquid- and rotator-phase states of carbon tetrachloride are revisited here. The correlation of some angular magnitudes is used to evaluate the positional and orientational correlations in the liquid as well as in the rotator phase. The results show significant similitudes in the relative position of the molecules surrounding a central one but striking differences in their relative orientations, which could explain the changes in SRO between the two phases and the puzzling behavior of the local density in the liquid and rotator phases.

  7. Spin dynamics, short-range order, and spin freezing in Y{sub 0.5}Ca{sub 0.5}BaCo{sub 4}O{sub 7}

    SciTech Connect

    Stewart, J. R.; Ehlers, G.; Mutka, H.; Fouquet, P.; Payen, C.; Lortz, R.

    2011-01-15

    Y{sub 0.5}Ca{sub 0.5}BaCo{sub 4}O{sub 7} was recently introduced as a possible candidate for capturing some of the predicted classical spin kagome ground-state features. Stimulated by this conjecture, we have taken up a more complete study of the spin correlations in this compound with neutron scattering methods on a powder sample characterized with high-resolution neutron diffraction and the temperature dependence of magnetic susceptibility and specific heat. We have found that the frustrated near-neighbor magnetic correlations involve not only the kagome planes but concern the full Co sublattice, as evidenced by the analysis of the wave-vector dependence of the short-range order. We conclude from our results that the magnetic moments are located on the Co sublattice as a whole and that correlations extend beyond the two-dimensional kagome planes. We identify intriguing dynamical properties, observing high-frequency fluctuations with a Lorentzian linewidth {Gamma}{<=}20 meV at ambient temperature. On cooling a low-frequency ({approx}1 meV) dynamical component develops alongside the high-frequency fluctuations, which eventually becomes static at temperatures below T{approx_equal}50 K. The high-frequency response with an overall linewidth of {approx}10 meV prevails at T{<=}2 K, coincident with a fully elastic short-range-ordered contribution.

  8. Time ordering in atomic collisions

    NASA Astrophysics Data System (ADS)

    McGuire, J. H.; Godunov, A. L.; Shakov, Kh Kh; Kaplan, L.; Burin, A.; Uskov, D.

    2007-06-01

    Time ordering constrains interactions to occur in increasing (or decreasing) order. This places a constraint on the time evolution of the system and can lead to correlations in time of different particles in a few/many body system. Unlike overall time reversal, time ordering is not a conserved symmetry of the atomic system. A number of examples of observable effects of time ordering are presented. A convenient way to describe time ordering is to define the limit of no time ordering by replacing the instantaneous interaction by its time average. This is similar to the way in which spatial correlation is defined. Like spatial correlation, time ordering is usually formulated in the interaction representation. The effects of time ordering can differ in different representations. In energy space, conjugate to time space, time ordering is imposed as the i ɛ term in the Greens' function that corresponds to an initial condition (usually incoming plane waves and outgoing scattered waves). This permits off-energy-shell (energy non- conserving) fluctuations during the collision consistent with the Uncertainty Principle.

  9. Evidence of a short-range incommensurate d-wave charge order from a fermionic two-loop renormalization group calculation of a 2D model with hot spots

    SciTech Connect

    Carvalho, Vanuildo S de; Freire, Hermann

    2014-09-15

    The two-loop renormalization group (RG) calculation is considerably extended here for the two-dimensional (2D) fermionic effective field theory model, which includes only the so-called “hot spots” that are connected by the spin-density-wave (SDW) ordering wavevector on a Fermi surface generated by the 2D t−t{sup ′} Hubbard model at low hole doping. We compute the Callan–Symanzik RG equation up to two loops describing the flow of the single-particle Green’s function, the corresponding spectral function, the Fermi velocity, and some of the most important order-parameter susceptibilities in the model at lower energies. As a result, we establish that–in addition to clearly dominant SDW correlations–an approximate (pseudospin) symmetry relating a short-range incommensurated-wave charge order to the d-wave superconducting order indeed emerges at lower energy scales, which is in agreement with recent works available in the literature addressing the 2D spin-fermion model. We derive implications of this possible electronic phase in the ongoing attempt to describe the phenomenology of the pseudogap regime in underdoped cuprates.

  10. Short range effective potentials for ionic fluids

    NASA Astrophysics Data System (ADS)

    Clarke, J. H. R.; Smith, W.; Woodcock, L. V.

    1986-02-01

    It is shown that the structure of a simple ionic liquid, potassium chloride, can be reproduced in computer simulations using short range effective pair (SHREP) potentials of a simple form. Aside from the balance between like and unlike particle interactions, the important parameters determining the structure are the depth ɛ and the position r0 of the unlike particle pair energy minimum. The results demonstrate that the long range ordering characteristic of ionic liquids is not a consequence of the long range of Coulomb interactions. It is further shown that first order perturbation theory can be used accurately to calculate the thermodynamic properties of an ionic liquid from a corresponding reference liquid generated using a SHREP potential. These results can be generalized to explain deviations from the Reiss-Mayer-Katz corresponding states law for alkali halides and suggest an alternative scheme, effective depth reduction (EDR), based on values of ɛ for the gas phase ion pairs.

  11. Narrow resonances and short-range interactions

    NASA Astrophysics Data System (ADS)

    Gelman, Boris A.

    2009-09-01

    Narrow resonances in systems with short-range interactions are discussed in an effective field theory (EFT) framework. An effective Lagrangian is formulated in the form of a combined expansion in powers of a momentum Q≪Λ—a short-distance scale—and an energy difference δɛ=|E-ɛ0|≪ɛ0—a resonance peak energy. At leading order in the combined expansion, a two-body scattering amplitude is the sum of a smooth background term of order Q0 and a Breit-Wigner term of order Q2(δɛ)-1 which becomes dominant for δɛ≲Q3. Such an EFT is applicable to systems in which short-distance dynamics generates a low-lying quasistationary state. The EFT is generalized to describe a narrow low-lying resonance in a system of charged particles. It is shown that in the case of Coulomb repulsion, a two-body scattering amplitude at leading order in a combined expansion is the sum of a Coulomb-modified background term and a Breit-Wigner amplitude with parameters renormalized by Coulomb interactions.

  12. Narrow resonances and short-range interactions

    SciTech Connect

    Gelman, Boris A.

    2009-09-15

    Narrow resonances in systems with short-range interactions are discussed in an effective field theory (EFT) framework. An effective Lagrangian is formulated in the form of a combined expansion in powers of a momentum Q<<{lambda}--a short-distance scale--and an energy difference {delta}{epsilon}=|E-{epsilon}{sub 0}|<<{epsilon}{sub 0}--a resonance peak energy. At leading order in the combined expansion, a two-body scattering amplitude is the sum of a smooth background term of order Q{sup 0} and a Breit-Wigner term of order Q{sup 2}({delta}{epsilon}){sup -1} which becomes dominant for {delta}{epsilon} < or approx. Q{sup 3}. Such an EFT is applicable to systems in which short-distance dynamics generates a low-lying quasistationary state. The EFT is generalized to describe a narrow low-lying resonance in a system of charged particles. It is shown that in the case of Coulomb repulsion, a two-body scattering amplitude at leading order in a combined expansion is the sum of a Coulomb-modified background term and a Breit-Wigner amplitude with parameters renormalized by Coulomb interactions.

  13. Intricate Short-Range Ordering and Strongly Anisotropic Transport Properties of Li1–x Sn 2+x As2

    SciTech Connect

    Lee, Kathleen; Kaseman, Derrick; Sen, Sabyasachi; Hung, Ivan; Gan, Zhehong; Gerke, Birgit; Pöttgen, Rainer; Feygenson, Mikhail; Neuefeind, Jörg; Lebedev, Oleg I.; Kovnir, Kirill

    2015-02-22

    A new ternary compound, Li1-xSn2+xAs2, 0.2 < x < 0.4, was synthesized via solid-state reaction of elements. The compound crystallizes in a layered structure in the R$\\overline{3}m$ space group (No. 166) with Sn-As layers separated by layers of jointly occupied Li/Sn. The Sn-As layers are comprised of Sn3As3 puckered hexagons in a chair conformation that share all edges. Li/Sn atoms in the interlayer space are surrounded by a regular As6 octahedron. Thorough investigations by synchrotron x-ray and neutron powder diffraction indicate no long-range Li/Sn ordering. In contrast, local Sn/Li ordering was revealed by synergistic investigations via solid-state 6,7Li NMR spectroscopy, HR-TEM, and neutron and X-ray pair distribution function analyses. Due to their different chemical natures, Li and Sn atoms tend to segregate into Li-rich and Sn-rich regions creating substantial inhomogeneity on the nanoscale. Inhomogeneous local structure has high impact on the physical properties of the synthesized compounds: local Li/Sn ordering and multiple nanoscale interfaces result in unexpectedly low thermal conductivity and highly anisotropic resistivity in Li1-xSn2+xAs2.

  14. Short-Range Structure of Nuclei

    SciTech Connect

    Higinbotham, Douglas W.

    2008-10-13

    The nucleons in a nucleus can form short-range correlated pairs. A recent Jefferson Lab electron scattering experiment, where a proton was knocked-out of the nucleus with high momentum transfer and high missing momentum, has shown that in {sup 12}C the neutron-proton pairs are nearly twenty times as prevalent as proton-proton pairs and, by inference, neutron-neutron pairs. This difference between the types of pairs has been shown to be due to the short-range tensor part of the nucleon-nucleon interaction.

  15. The MOLDY short-range molecular dynamics package

    NASA Astrophysics Data System (ADS)

    Ackland, G. J.; D'Mellow, K.; Daraszewicz, S. L.; Hepburn, D. J.; Uhrin, M.; Stratford, K.

    2011-12-01

    We describe a parallelised version of the MOLDY molecular dynamics program. This Fortran code is aimed at systems which may be described by short-range potentials and specifically those which may be addressed with the embedded atom method. This includes a wide range of transition metals and alloys. MOLDY provides a range of options in terms of the molecular dynamics ensemble used and the boundary conditions which may be applied. A number of standard potentials are provided, and the modular structure of the code allows new potentials to be added easily. The code is parallelised using OpenMP and can therefore be run on shared memory systems, including modern multicore processors. Particular attention is paid to the updates required in the main force loop, where synchronisation is often required in OpenMP implementations of molecular dynamics. We examine the performance of the parallel code in detail and give some examples of applications to realistic problems, including the dynamic compression of copper and carbon migration in an iron-carbon alloy. Program summaryProgram title: MOLDY Catalogue identifier: AEJU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEJU_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 2 No. of lines in distributed program, including test data, etc.: 382 881 No. of bytes in distributed program, including test data, etc.: 6 705 242 Distribution format: tar.gz Programming language: Fortran 95/OpenMP Computer: Any Operating system: Any Has the code been vectorised or parallelized?: Yes. OpenMP is required for parallel execution RAM: 100 MB or more Classification: 7.7 Nature of problem: Moldy addresses the problem of many atoms (of order 10 6) interacting via a classical interatomic potential on a timescale of microseconds. It is designed for problems where statistics must be gathered over a number of equivalent runs, such as

  16. Nonperturbative short-range dynamics in TMDs

    SciTech Connect

    Weiss, Christian

    2013-05-01

    This presentation covers: deep inelastic processes and transverse momentum distributions; chiral symmetry breaking, including the physical picture, the dynamical model, and parton distributions; partonic structures, including transverse momentum distributions, coordinate space correlator, and short range correlations; and measurements of semi-inclusive deep inelastic scattering, correlations, and multi-parton processes in pp interactions.

  17. Combined Search for Lorentz Violation in Short-Range Gravity.

    PubMed

    Shao, Cheng-Gang; Tan, Yu-Jie; Tan, Wen-Hai; Yang, Shan-Qing; Luo, Jun; Tobar, Michael Edmund; Bailey, Quentin G; Long, J C; Weisman, E; Xu, Rui; Kostelecký, V Alan

    2016-08-12

    Short-range experiments testing the gravitational inverse-square law at the submillimeter scale offer uniquely sensitive probes of Lorentz invariance. A combined analysis of results from the short-range gravity experiments HUST-2015, HUST-2011, IU-2012, and IU-2002 permits the first independent measurements of the 14 nonrelativistic coefficients for Lorentz violation in the pure-gravity sector at the level of 10^{-9}  m^{2}, improving by an order of magnitude the sensitivity to numerous types of Lorentz violation involving quadratic curvature derivatives and curvature couplings.

  18. Optical method of atomic ordering estimation

    SciTech Connect

    Prutskij, T.; Attolini, G.

    2013-12-04

    It is well known that within metal-organic vapor-phase epitaxy (MOVPE) grown semiconductor III-V ternary alloys atomically ordered regions are spontaneously formed during the epitaxial growth. This ordering leads to bandgap reduction and to valence bands splitting, and therefore to anisotropy of the photoluminescence (PL) emission polarization. The same phenomenon occurs within quaternary semiconductor alloys. While the ordering in ternary alloys is widely studied, for quaternaries there have been only a few detailed experimental studies of it, probably because of the absence of appropriate methods of its detection. Here we propose an optical method to reveal atomic ordering within quaternary alloys by measuring the PL emission polarization.

  19. OMV--Short Range Vehicle Concept

    NASA Technical Reports Server (NTRS)

    1986-01-01

    In this 1986 artist's concept, the Orbital Maneuvering Vehicle (OMV), is shown without its main propulsion module. Essentially two propulsion vehicles in one, the OMV could be powered by a main propulsion module , or, in its short range vehicle configuration shown here, use its own hydrazine and cold gas thrusters. As envisioned by Marshall Space Flight Center plarners, the OMV would be a remotely-controlled free-flying space tug which would place, rendezvous, dock, and retrieve orbital payloads.

  20. High-order-harmonic generation in atomic and molecular systems

    NASA Astrophysics Data System (ADS)

    Suárez, Noslen; Chacón, Alexis; Pérez-Hernández, Jose A.; Biegert, Jens; Lewenstein, Maciej; Ciappina, Marcelo F.

    2017-03-01

    High-order-harmonic generation (HHG) results from the interaction of ultrashort laser pulses with matter. It configures an invaluable tool to produce attosecond pulses, moreover, to extract electron structural and dynamical information of the target, i.e., atoms, molecules, and solids. In this contribution, we introduce an analytical description of atomic and molecular HHG, that extends the well-established theoretical strong-field approximation (SFA). Our approach involves two innovative aspects: (i) First, the bound-continuum and rescattering matrix elements can be analytically computed for both atomic and multicenter molecular systems, using a nonlocal short range model, but separable, potential. When compared with the standard models, these analytical derivations make possible to directly examine how the HHG spectra depend on the driven media and laser-pulse features. Furthermore, we can turn on and off contributions having distinct physical origins or corresponding to different mechanisms. This allows us to quantify their importance in the various regions of the HHG spectra. (ii) Second, as reported recently [N. Suárez et al., Phys. Rev. A 94, 043423 (2016), 10.1103/PhysRevA.94.043423], the multicenter matrix elements in our theory are free from nonphysical gauge- and coordinate-system-dependent terms; this is accomplished by adapting the coordinate system to the center from which the corresponding time-dependent wave function originates. Our SFA results are contrasted, when possible, with the direct numerical integration of the time-dependent Schrödinger equation in reduced and full dimensionality. Very good agreement is found for single and multielectronic atomic systems, modeled under the single active electron approximation, and for simple diatomic molecular systems. Interference features, ubiquitously present in every strong-field phenomenon involving a multicenter target, are also captured by our model.

  1. Aspects of short-range interconnect packaging

    NASA Astrophysics Data System (ADS)

    Wohlfeld, Denis; Brenner, Karl-Heinz

    2012-01-01

    In short-range interconnect applications, one question arises frequently: When should optical solutions be chosen over electrical wiring? The answer to this question of course depends on several factors like costs, performance, reliability, availability of testing equipment and knowledge about optical technologies, and last but not least, it strongly depends on the application itself. Networking in high performance computing (HPC) is one such example. With bit rates around 10 Gbit/s per channel and cable length above 2 m, the high attenuation of electrical cables leads to a clear preference of optical or active optical cables (AOC) for most planned HPC systems. For AOCs, the electro-optical conversion is realized inside the connector housing, while for purely optical cables, the conversion is done at the edge of the board. Proceeding to 25 Gbit/s and higher, attenuation and loss of signal quality become critical. Therefore, either significantly more effort has to be spent on the electrical side, or the package for conversion has to be integrated closer to the chip, thus requiring new packaging technologies. The paper provides a state of the art overview of packaging concepts for short range interconnects, it describes the main challenges of optical package integration and illustrates new concepts and trends in this research area.

  2. Short Range Correlations and the EMC Effect

    SciTech Connect

    L.B. Weinstein, E. Piasetzky, D.W. Higinbotham, J. Gomez, O. Hen, R. Shneor

    2011-02-01

    This Letter shows quantitatively that the magnitude of the EMC effect measured in electron deep inelastic scattering at intermediate xB, 0.35≤xB≤0.7, is linearly related to the short range correlation (SRC) scale factor obtained from electron inclusive scattering at xB≥1. The observed phenomenological relationship is used to extract the ratio of the deuteron to the free pn pair cross sections and F2n/F2p, the ratio of the free neutron to free proton structure functions. We speculate that the observed correlation is because both the EMC effect and SRC are dominated by the high virtuality (high momentum) nucleons in the nucleus.

  3. Calorimetric investigation of the excess entropy of mixing in analbite-sanidine solid solutions: lack of evidence for Na,K short- range order and implications for two-feldspar thermometry.

    USGS Publications Warehouse

    Haselton, H.T.; Hovis, G.L.; Hemingway, B.S.; Robie, R.A.

    1983-01-01

    Heat capacities (5-380 K) have been measured by adiabatic calorimetry for five highly disordered alkali feldspars (Ab99Or1, Ab85Or15, Ab55Or45, Ab25Or75 and Ab1Or99). The thermodynamic and mineralogical implications of the results are discussed. The new data are also combined with recent data for plagioclases in order to derive a revised expression for the two-feldspar thermometer. T calculated from the revised expression tend to be higher than previous calculations.-J.A.Z.

  4. Investigation of short-range structural order in Zr69.5Cu12Ni11Al7.5 and Zr41.5Ti41.5Ni17 glasses, using X-ray absorption spectroscopy and ab initio molecular dynamics simulations.

    PubMed

    Lahiri, Debdutta; Sharma, Surinder M; Verma, Ashok K; Vishwanadh, B; Dey, G K; Schumacher, Gerhard; Scherb, Tobias; Riesemeier, Heinrich; Reinholz, Uwe; Radtke, Martin; Banerjee, S

    2014-11-01

    Short-range order has been investigated in Zr69.5Cu12Ni11Al7.5 and Zr41.5Ti41.5Ni17 metallic glasses using X-ray absorption spectroscopy and ab initio molecular dynamics simulations. While both of these alloys are good glass formers, there is a difference in their glass-forming abilities (Zr41.5Ti41.5Ni17 > Zr69.5Cu12Ni11Al7.5). This difference is explained by inciting the relative importance of strong chemical order, icosahedral content, cluster symmetry and configuration diversity.

  5. Searching for Short-Range Correlations in Carbon

    SciTech Connect

    Peter Monaghan

    2009-12-01

    A dedicated experiment to study nucleon-nucleon short-range correlations was performed in Hall A at Jefferson Lab. Measurements were made through a triple coincidence (e, e[prime]pN) reaction, with incident electrons scattered from a carbon foil target. The data showed that nucleon pairs are on the order of twenty times more likely to be neutron-proton pairs instead of a proton-proton pair. This result is consistent with observations from a previous experiment at Brookhaven National Laboratory. The experimental details are described and the results presented.

  6. Fast parallel algorithms for short-range molecular dynamics

    SciTech Connect

    Plimpton, S.

    1993-05-01

    Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a subset of atoms; the second assigns each a subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently -- those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 10,000,000 atoms on three parallel supercomputers, the nCUBE 2, Intel iPSC/860, and Intel Delta. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and the Intel Delta performs about 30 times faster than a single Y-MP processor and 12 times faster than a single C90 processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

  7. 47 CFR 90.371 - Dedicated short range communications service.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false Dedicated short range communications service... Regulations Governing the Licensing and Use of Frequencies in the 5850-5925 Mhz Band for Dedicated Short-Range Communications Service (dsrcs) § 90.371 Dedicated short range communications service. (a) These...

  8. 47 CFR 90.371 - Dedicated short range communications service.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false Dedicated short range communications service... Regulations Governing the Licensing and Use of Frequencies in the 5850-5925 Mhz Band for Dedicated Short-Range Communications Service (dsrcs) § 90.371 Dedicated short range communications service. (a) These...

  9. Transverse Effect due to Short-range Resistive Wall Wakefield

    SciTech Connect

    Juhao Wu; Alex Chao; Jean Delayen

    2007-06-18

    For accelerator designs with ultra short electron beams, beam dynamics study has to invoke the short-range wakefields. In this paper, we first obtain the short-range dipole mode resistive wall wakefield. Analytical approach is then developed to study the single bunch transverse beam dynamics due to this short-range resistive wall wake. The results are applied to the LCLS undulator.

  10. Transverse Effect Due to Short Range Resistive Wall Wakefield

    SciTech Connect

    Delayen, J.R.; Chao, Alexander Wu; Wu, J.; /SLAC

    2008-01-08

    For accelerator designs with ultra short electron beams, beam dynamics study has to invoke the short-range wakefields. In this paper, we first obtain the short-range dipole mode resistive wall wakefield. Analytical approach is then developed to study the single bunch transverse beam dynamics due to this short-range resistive wall wake. The results are applied to the LCLS undulator.

  11. Effect of magnetism and atomic order on static atomic displacements in the Invar alloy Fe-27 at.% Pt

    NASA Astrophysics Data System (ADS)

    Sax, C. R.; Schönfeld, B.; Ruban, A. V.

    2015-08-01

    Fe-27 at.% Pt was aged at 1123 K and quenched to room temperature (RT) to set up a state of thermal equilibrium. The local atomic arrangement was studied by diffuse x-ray scattering above (at 427 K) and below (at RT) the Curie temperature as well as at RT under a saturating magnetic field. The separated short-range order scattering remained unchanged for all three states, with maxima at 100 positions. Effective pair interaction parameters determined by the inverse Monte Carlo method gave an order-disorder transition temperature of about 1088 K, close to direct experimental findings. The species-dependent static atomic displacements for the first two shells show large differences, with a strong increase in magnitude from the state at 427 K over RT to the state under saturating magnetic field. This outcome is in agreement with an increase in atomic volume of Fe with increasing local magnetic moment. Electronic-structure calculations closely reproduce the values for the static atomic displacements in the ferromagnetic state, and predict their dependence on the atomic configuration. They also reveal a strong dependence of the magnetic exchange interactions in Fe-Pt on the atomic configuration state and lattice parameter. In particular, the increase of the Curie temperature in a random state relative to that in the ordered one is demonstrated to be related to the corresponding change of the magnetic exchange interactions due to the different local atomic chemical environment. There exists a similar strong concentration dependence of the chemical interactions as in the case of magnetic exchange interactions. Theoretical effective interactions for Fe-27 at.% Pt alloy are in good agreement with experimental results, and they also reproduce well the L1 2-A1 transition temperature.

  12. Short-range interactions of concentrated proline in aqueous solution.

    PubMed

    Busch, Sebastian; Lorenz, Christian D; Taylor, Jonathan; Pardo, Luis Carlos; McLain, Sylvia E

    2014-12-11

    Molecular interactions for proline in a highly concentrated aqueous solution (up to 1:5 proline:water molecular ratio) have been investigated using a variety of experimental and computational techniques. Rather than the solution containing either small crystallites or large aggregates of proline, three-dimensional structural analysis reveals the presence of proline-proline dimers. These dimers appear to be formed by cyclic electrostatic interactions between CO2(-) and NH2(+) groups on neighboring proline molecules, which causes the ring motifs of proline to be roughly parallel to one another. In addition, water appears to aggregate around the electrostatic groups of the proline-proline dimers where it may in fact bridge these groups on different molecules. The observed short-range interactions for proline in solution may explain its function as a hydrotrope in vivo in which this observed dimerization might allow proline molecules to generate small pockets of a hydrophobic environment that can associate with nonpolar motifs of other molecules in solution. The results presented here emphasize the need for careful three-dimensional analysis to assess the short-range order of highly concentrated solutions.

  13. Short range magnetic exchange interaction favors ferroelectricity

    PubMed Central

    Wan, Xiangang; Ding, Hang-Chen; Savrasov, Sergey Y.; Duan, Chun-Gang

    2016-01-01

    Multiferroics, where two or more ferroic order parameters coexist, is one of the hottest fields in condensed matter physics and materials science. To search multiferroics, currently most researches are focused on frustrated magnets, which usually have complicated magnetic structure and low magnetic ordering temperature. Here, we argue that actually simple interatomic magnetic exchange interaction already contains a driving force for ferroelectricity, thus providing a new microscopic mechanism for the coexistence and strong coupling between ferroelectricity and magnetism. We demonstrate this mechanism by showing that even the simplest antiferromagnetic insulator like MnO, could display a magnetically induced ferroelectricity under a biaxial strain. In addition, we show that such mechanism also exists in the most important single phase multiferroics, i.e. BiFeO3, suggesting that this mechanism is ubiquitous in systems with superexchange interaction. PMID:26956480

  14. Dynamic decoupling and local atomic order of a model multicomponent metallic glass-former.

    PubMed

    Kim, Jeongmin; Sung, Bong June

    2015-06-17

    The dynamics of multicomponent metallic alloys is spatially heterogeneous near glass transition. The diffusion coefficient of one component of the metallic alloys may also decouple from those of other components, i.e., the diffusion coefficient of each component depends differently on the viscosity of metallic alloys. In this work we investigate the dynamic heterogeneity and decoupling of a model system for multicomponent Pd43Cu27Ni10P20 melts by using a hard sphere model that considers the size disparity of alloys but does not take chemical effects into account. We also study how such dynamic behaviors would relate to the local atomic structure of metallic alloys. We find, from molecular dynamics simulations, that the smallest component P of multicomponent Pd43Cu27Ni10P20 melts becomes dynamically heterogeneous at a translational relaxation time scale and that the largest major component Pd forms a slow subsystem, which has been considered mainly responsible for the stabilization of amorphous state of alloys. The heterogeneous dynamics of P atoms accounts for the breakdown of Stokes-Einstein relation and also leads to the dynamic decoupling of P and Pd atoms. The dynamically heterogeneous P atoms decrease the lifetime of the local short-range atomic orders of both icosahedral and close-packed structures by orders of magnitude.

  15. Persistent homology and many-body atomic structure for medium-range order in the glass

    NASA Astrophysics Data System (ADS)

    Nakamura, Takenobu; Hiraoka, Yasuaki; Hirata, Akihiko; Escolar, Emerson G.; Nishiura, Yasumasa

    2015-07-01

    The characterization of the medium-range (MRO) order in amorphous materials and its relation to the short-range order is discussed. A new topological approach to extract a hierarchical structure of amorphous materials is presented, which is robust against small perturbations and allows us to distinguish it from periodic or random configurations. This method is called the persistence diagram (PD) and introduces scales to many-body atomic structures to facilitate size and shape characterization. We first illustrate the representation of perfect crystalline and random structures in PDs. Then, the MRO in amorphous silica is characterized using the appropriate PD. The PD approach compresses the size of the data set significantly, to much smaller geometrical summaries, and has considerable potential for application to a wide range of materials, including complex molecular liquids, granular materials, and metallic glasses.

  16. Detection of antiferromagnetic order by cooling atoms in an optical lattice

    NASA Astrophysics Data System (ADS)

    Yang, Tsung-Lin; Teles, Rafael; Hazzard, Kaden; Hulet, Randall; Rice University Collaboration

    2016-05-01

    We have realized the Fermi-Hubbard model with fermionic 6 Li atoms in a three-dimensional compensated optical lattice. The compensated optical lattice has provided low enough temperatures to produce short-range antiferromagnetic (AF) spin correlations, which we detect via Bragg scattering of light. Previously, we reached temperatures down to 1.4 times that of the AFM phase transition, more than a factor of 2 below temperatures obtained previously in 3D optical lattices with fermions. In order to further reduce the entropy in the compensated lattice, we implement an entropy conduit - which is a single blue detuned laser beam with a waist size smaller than the overall atomic sample size. This repulsive narrow potential provides a conductive metallic path between the low entropy core and the edges of the atomic sample where atoms may be evaporated. In addition, the entropy conduit may store entropy, thus further lowering the entropy in the core. We will report on the status of these efforts to further cool atoms in the optical lattice. Work supported by ARO MURI Grant, NSF and The Welch Foundation.

  17. Tensor interaction and short range correlations in relativistic nuclear models

    SciTech Connect

    Panda, Prafulla K.; Providencia, C.; Providencia, J. da

    2007-06-15

    Short range correlations are introduced using a Jastrow factor in a relativistic approach to the equation of state of the infinite nuclear matter in the framework of the Hartree-Fock approximation. The pion exchange, including the tensor contribution, is taken into account. It is shown that both the tensor contribution of pion exchange and short range correlations soften the equation of state. Neutron matter with correlations presents no minimum at low densities.

  18. Hard probes of short-range nucleon-nucleon correlations

    SciTech Connect

    J. Arrington, D. W. Higinbotham, G. Rosner, M. Sargsian

    2012-10-01

    The strong interaction of nucleons at short distances leads to a high-momentum component to the nuclear wave function, associated with short-range correlations between nucleons. These short-range, high-momentum structures in nuclei are one of the least well understood aspects of nuclear matter, relating to strength outside of the typical mean-field approaches to calculating the structure of nuclei. While it is difficult to study these short-range components, significant progress has been made over the last decade in determining how to cleanly isolate short-range correlations in nuclei. We have moved from asking if such structures exist, to mapping out their strength in nuclei and studying their microscopic structure. A combination of several different measurements, made possible by high-luminosity and high-energy accelerators, coupled with an improved understanding of the reaction mechanism issues involved in studying these structures, has led to significant progress, and provided significant new information on the nature of these small, highly-excited structures in nuclei. We review the general issues related to short-range correlations, survey recent experiments aimed at probing these short-range structures, and lay out future possibilities to further these studies.

  19. μ--e+ conversion from short-range operators

    NASA Astrophysics Data System (ADS)

    Geib, Tanja; Merle, Alexander

    2017-03-01

    We present a detailed discussion of the lepton flavor and number violating conversion of bound muons into positrons. This process is a viable alternative to neutrinoless double beta decay, and, given that experiments on ordinary μ-- e- conversion are expected to improve their sensitivities by several orders of magnitude in the coming years, we can also assume the limit on μ-- e+ conversion to improve by roughly the same factor. We discuss how new physics at a high scale can lead to short-range contributions to this conversion process, and we present one explicit case in great detail (the single one for which the corresponding nuclear matrix element is presently known). The main goal of our discussion is to make the respective computation accessible to the particle physics community, so that promising models can be investigated while the nuclear physics community can simultaneously advance the computation of nuclear matrix elements. Given the progress to be expected on the experimental side, it may even be possible that lepton number violation in the e μ -sector is discovered by μ-- e+ conversion before neutrinoless double beta decay can show its existence in the e e -sector.

  20. Real space probe of short-range interaction between Cr in a ferromagnetic semiconductor ZnCrTe.

    PubMed

    Kanazawa, Ken; Nishimura, Taku; Yoshida, Shoji; Shigekawa, Hidemi; Kuroda, Shinji

    2014-12-21

    The short-range interaction between Cr atoms was directly examined by scanning tunneling microscopy measurements on a Zn(0.95)Cr(0.05)Te film. Our measurements revealed that a Cr atom formed a localized state within the bandgap of ZnTe and this state was broadened for a pair of Cr atoms within a distance of ∼ 1 nm.

  1. Electron diffraction study of the sillenites Bi{sub 12}SiO{sub 20}, Bi{sub 25}FeO{sub 39} and Bi{sub 25}InO{sub 39}: Evidence of short-range ordering of oxygen-vacancies in the trivalent sillenites

    SciTech Connect

    Scurti, Craig A.; Arenas, D. J.; Auvray, Nicolas; Lufaso, Michael W.; Takeda, Seiji; Kohno, Hideo

    2014-08-15

    We present an electron diffraction study of three sillenites, Bi{sub 12}SiO{sub 20}, Bi{sub 25}FeO{sub 39}, and Bi{sub 25}InO{sub 39} synthesized using the solid-state method. We explore a hypothesis, inspired by optical studies in the literature, that suggests that trivalent sillenites have additional disorder not present in the tetravalent compounds. Electron diffraction patterns of Bi{sub 25}FeO{sub 39} and Bi{sub 25}InO{sub 39} show streaks that confirm deviations from the ideal sillenite structure. Multi-slice simulations of electron-diffraction patterns are presented for different perturbations to the sillenite structure - partial substitution of the M site by Bi{sup 3+}, random and ordered oxygen-vacancies, and a frozen-phonon model. Although comparison of experimental data to simulations cannot be conclusive, we consider the streaks as evidence of short-range ordered oxygen-vacancies.

  2. Long- versus Short-Range Scattering in Doped Epitaxial Graphene.

    PubMed

    Straßer, C; Ludbrook, B M; Levy, G; Macdonald, A J; Burke, S A; Wehling, T O; Kern, K; Damascelli, A; Ast, C R

    2015-05-13

    Tuning the electronic properties of graphene by adatom deposition unavoidably introduces disorder into the system, which directly affects the single-particle excitations and electrodynamics. Using angle-resolved photoemission spectroscopy (ARPES) we trace the evolution of disorder in graphene by thallium adatom deposition and probe its effect on the electronic structure. We show that the signatures of quasiparticle scattering in the photoemission spectral function can be used to identify thallium adatoms, although charged, as efficient short-range scattering centers. Employing a self-energy model for short-range scattering, we are able to extract a δ-like scattering potential δ = -3.2 ± 1 eV. Therefore, isolated charged scattering centers do not necessarily act just as good long-range (Coulomb) scatterers but can also act as efficient short-range (δ-like) scatterers; in the case of thallium, this happens with almost equal contributions from both mechanisms.

  3. Analysis on short-range millimetre wave scattering imaging system

    NASA Astrophysics Data System (ADS)

    Zhu, Li; Li, Xing-Guo; Lou, Guo-Wei; Zhang, Chao

    2011-08-01

    A system for short-range millimetre wave(MMW) active imaging was developed, including transceiver antenna, scanning system, transceiver front-end, signal processing. A target within a few meters or even a few centimeters can be imaged. The overall structure of the imaging system and imaging method were researched. The short-range scattering imaging formula was derived from the spectral distribution shift view, which can simplify the method. Phase compensation factor was introduced to improve the imaging resolution. The relationship between the sampling frequency and scanning speed was analyzed to optimize the system parameters, which can improve image quality and system efficiency.

  4. Emerging magnetic order in platinum atomic contacts and chains

    PubMed Central

    Strigl, Florian; Espy, Christopher; Bückle, Maximilian; Scheer, Elke; Pietsch, Torsten

    2015-01-01

    The development of atomic-scale structures revealing novel transport phenomena is a major goal of nanotechnology. Examples include chains of atoms that form while stretching a transition metal contact or the predicted formation of magnetic order in these chains, the existence of which is still debated. Here we report an experimental study of the magneto-conductance (MC) and anisotropic MC with atomic-size contacts and mono-atomic chains of the nonmagnetic metal platinum. We find a pronounced and diverse MC behaviour, the amplitude and functional dependence change when stretching the contact by subatomic distances. These findings can be interpreted as a signature of local magnetic order in the chain, which may be of particular importance for the application of atomic-sized contacts in spintronic devices of the smallest possible size. PMID:25649440

  5. 47 CFR 90.371 - Dedicated short range communications service.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false Dedicated short range communications service. 90.371 Section 90.371 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PRIVATE LAND MOBILE RADIO SERVICES Intelligent Transportation Systems Radio...

  6. Testing local Lorentz invariance with short-range gravity

    NASA Astrophysics Data System (ADS)

    Kostelecký, V. Alan; Mewes, Matthew

    2017-03-01

    The Newton limit of gravity is studied in the presence of Lorentz-violating gravitational operators of arbitrary mass dimension. The linearized modified Einstein equations are obtained and the perturbative solutions are constructed and characterized. We develop a formalism for data analysis in laboratory experiments testing gravity at short range and demonstrate that these tests provide unique sensitivity to deviations from local Lorentz invariance.

  7. Investigation of odd-order nonlinear susceptibilities in atomic vapors

    SciTech Connect

    Yan, Yaqi; Wu, Zhenkun; Si, Jinhai; Yan, Lihe; Zhang, Yiqi; Yuan, Chenzhi; Sun, Jia; Zhang, Yanpeng

    2013-06-15

    We theoretically deduce the macroscopic symmetry constraints for arbitrary odd-order nonlinear susceptibilities in homogeneous media including atomic vapors for the first time. After theoretically calculating the expressions using a semiclassical method, we demonstrate that the expressions for third- and fifth-order nonlinear susceptibilities for undressed and dressed four- and six-wave mixing (FWM and SWM) in atomic vapors satisfy the macroscopic symmetry constraints. We experimentally demonstrate consistence between the macroscopic symmetry constraints and the semiclassical expressions for atomic vapors by observing polarization control of FWM and SWM processes. The experimental results are in reasonable agreement with our theoretical calculations. -- Highlights: •The macroscopic symmetry constraints are deduced for homogeneous media including atomic vapors. •We demonstrate that odd-order nonlinear susceptibilities satisfy the constraints. •We experimentally demonstrate the deduction in part.

  8. Hidden Kekule Order of Ghost Atoms on Monolayer Graphene

    NASA Astrophysics Data System (ADS)

    Gutierrez, Christopher; Brown, Lola; Lochocki, Edward; Rosenthal, Ethan; Kim, Cheol-Joo; Ogawa, Yui; Shen, Kyle; Park, Jiwoong; Pasupathy, Abhay

    2015-03-01

    Various charge and spin ordered phases have been predicted to exist in graphene when the lattice symmetry is broken on the atomic scale. One such phase is the Kekule distortion, whereby the C-C bond symmetry is broken and the graphene unit cell is tripled. It has been proposed that when certain adatoms are placed on monolayer graphene, strong interactions can exist between them mediated by the graphene lattice. The graphene-adatom interaction can induce Kekule order in the graphene itself, and move the adatoms to produce a hidden Kekule ordering. In this talk I will discuss evidence from scanning tunneling microscopy, electron diffraction and angle resolved photoemission spectroscopy that shows the existence of this unique ordering in epitaxial graphene on copper. Interestingly, we find in this case that the Kekule order is induced by a dilute number of ``ghost atoms'' - unidentified atomic features - in the otherwise perfect copper lattice underneath monolayer graphene.

  9. Pattern formation in binary fluid mixtures induced by short-range competing interactions

    NASA Astrophysics Data System (ADS)

    Bores, Cecilia; Lomba, Enrique; Perera, Aurélien; Almarza, Noé G.

    2015-08-01

    Molecular dynamics simulations and integral equation calculations of a simple equimolar mixture of diatomic molecules and monomers interacting via attractive and repulsive short-range potentials show the existence of pattern formation (microheterogeneity), mostly due to depletion forces away from the demixing region. Effective site-site potentials extracted from the pair correlation functions using an inverse Monte Carlo approach and an integral equation inversion procedure exhibit the features characteristic of a short-range attractive and a long-range repulsive potential. When charges are incorporated into the model, this becomes a coarse grained representation of a room temperature ionic liquid, and as expected, intermediate range order becomes more pronounced and stable.

  10. Experiments of Search for Neutron Electric Dipole Moment and Spin-Dependent Short-Range Force

    NASA Astrophysics Data System (ADS)

    Zheng, Wangzhi

    It is of great importance to identify new sources of discrete symmetry violations because it can explain the baryon number asymmetry of our universe and also test the validity of various models beyond the standard model. Neutron Electric Dipole Moment (nEDM) and short-range force are such candidates for the new sources of P&T violations. A new generation nEDM experiment was proposed in USA in 2002, aiming at improving the current nEDM upperlimit by two orders of magnitude. Polarized 3He is crucial in this experiment and Duke is responsible for the 3He injection, measurements of 3He nuclear magnetic resonance (NMR) signal and some physics properties related to polarized 3He. A Monte-Carlo simulation is used to simulate the entire 3He injection process in order to study whether polarized 3He can be successfully delivered to the measurement cell. Our simulation result shows that it is achievable to maintain more than 95% polarization after 3He atoms travel through very complicated paths in the presence of non-uniform magnetic fiels. We also built an apparatus to demonstrate that the 3He precession signal can be measured under the nEDM experimental conditions using the Superconducting Quantum Interference Device (SQUID). Based on the measurement result in our lab, we project that the signal-to-noise ratio in the nEDM experiment will be at least 10. During this SQUID test, two interesting phenomena were discovered. One is the pressure dependence of the T1 of the polarized 3He which has never been reported before. The other is the discrepancy between the theoretically predicted T2 and the experimentally measured T2 of the 3He precession signal. To investigate these two interesting phenomena, two dedicated experiments were built, and two papers have been published in Physical Review A. In addition to the nEDM experiment, polarized 3He is also used in the search for the exotic short-range force. The high pressure 3He cell used in this experiment has a very thin window (

  11. Atomically ordered solute segregation behaviour in an oxide grain boundary

    PubMed Central

    Feng, Bin; Yokoi, Tatsuya; Kumamoto, Akihito; Yoshiya, Masato; Ikuhara, Yuichi; Shibata, Naoya

    2016-01-01

    Grain boundary segregation is a critical issue in materials science because it determines the properties of individual grain boundaries and thus governs the macroscopic properties of materials. Recent progress in electron microscopy has greatly improved our understanding of grain boundary segregation phenomena down to atomistic dimensions, but solute segregation is still extremely challenging to experimentally identify at the atomic scale. Here, we report direct observations of atomic-scale yttrium solute segregation behaviours in an yttria-stabilized-zirconia grain boundary using atomic-resolution energy-dispersive X-ray spectroscopy analysis. We found that yttrium solute atoms preferentially segregate to specific atomic sites at the core of the grain boundary, forming a unique chemically-ordered structure across the grain boundary. PMID:27004614

  12. Atomically ordered solute segregation behaviour in an oxide grain boundary

    NASA Astrophysics Data System (ADS)

    Feng, Bin; Yokoi, Tatsuya; Kumamoto, Akihito; Yoshiya, Masato; Ikuhara, Yuichi; Shibata, Naoya

    2016-03-01

    Grain boundary segregation is a critical issue in materials science because it determines the properties of individual grain boundaries and thus governs the macroscopic properties of materials. Recent progress in electron microscopy has greatly improved our understanding of grain boundary segregation phenomena down to atomistic dimensions, but solute segregation is still extremely challenging to experimentally identify at the atomic scale. Here, we report direct observations of atomic-scale yttrium solute segregation behaviours in an yttria-stabilized-zirconia grain boundary using atomic-resolution energy-dispersive X-ray spectroscopy analysis. We found that yttrium solute atoms preferentially segregate to specific atomic sites at the core of the grain boundary, forming a unique chemically-ordered structure across the grain boundary.

  13. Rapidly rotating boson molecules with long- or short-range repulsion: An exact diagonalization study

    SciTech Connect

    Baksmaty, Leslie O.; Yannouleas, Constantine; Landman, Uzi

    2007-02-15

    The Hamiltonian for a small number N{<=}11 of bosons in a rapidly rotating harmonic trap, interacting via a short range (contact potential) or a long range (Coulomb) interaction, is studied via an exact diagonalization in the lowest Landau level. Our analysis shows that, for both low and high fractional fillings, the bosons localize and form rotating boson molecules (RBMs) consisting of concentric polygonal rings. Focusing on systems with the number of trapped atoms sufficiently large to form multiring bosonic molecules, we find that, as a function of the rotational frequency and regardless of the type of repulsive interaction, the ground-state angular momenta grow in specific steps that coincide with the number of localized bosons on each concentric ring. Comparison of the conditional probability distributions (CPDs) for both interactions suggests that the degree of crystalline correlations appears to depend more on the fractional filling {nu} than on the range of the interaction. The RBMs behave as nonrigid rotors, i.e., the concentric rings rotate independently of each other. At filling fractions {nu}<1/2, we observe well developed crystallinity in the CPDs (two-point correlation functions). For larger filling fractions {nu}>1/2, observation of similar molecular patterns requires consideration of even higher-order correlation functions.

  14. Ordered Porous Pd Octahedra Covered with Monolayer Ru Atoms.

    PubMed

    Ge, Jingjie; He, Dongsheng; Bai, Lei; You, Rui; Lu, Haiyuan; Lin, Yue; Tan, Chaoliang; Kang, Yan-Biao; Xiao, Bin; Wu, Yuen; Deng, Zhaoxiang; Huang, Weixin; Zhang, Hua; Hong, Xun; Li, Yadong

    2015-11-25

    Monolayer Ru atoms covered highly ordered porous Pd octahedra have been synthesized via the underpotential deposition and thermodynamic control. Shape evolution from concave nanocube to octahedron with six hollow cavities was observed. Using aberration-corrected high-resolution transmission electron microscopy and X-ray photoelectron spectroscopy, we provide quantitative evidence to prove that only a monolayer of Ru atoms was deposited on the surface of porous Pd octahedra. The as-prepared monolayer Ru atoms covered Pd nanostructures exhibited excellent catalytic property in terms of semihydrogenation of alkynes.

  15. Short-Range Correlation Models in Electronic Structure Theory

    NASA Astrophysics Data System (ADS)

    Goldey, Matthew Bryant

    Correlation methods within electronic structure theory focus on recovering the exact electron-electron interaction from the mean-field reference. For most chemical systems, including dynamic correlation, the correlation of the movement of electrons proves to be sufficient, yet exact methods for capturing dynamic correlation inherently scale polynomially with system size despite the locality of the electron cusp. This work explores a new family of methods for enhancing the locality of dynamic correlation methodologies with an aim toward improving accuracy and scalability. The introduction of range-separation into ab initio wavefunction methods produces short-range correlation methodologies, which can be supplemented with much faster approximate methods for long-range interactions. First, I examine attenuation of second-order Moller-Plesset perturbation theory (MP2) in the aug-cc-pVDZ basis. MP2 treats electron correlation at low computational cost, but suffers from basis set superposition error (BSSE) and fundamental inaccuracies in long-range contributions. The cost differential between complete basis set (CBS) and small basis MP2 restricts system sizes where BSSE can be removed. Range-separation of MP2 could yield more tractable and/or accurate forms for short- and long-range correlation. Retaining only short-range contributions proves to be effective for MP2 in the small aug-cc-pVDZ (aDZ) basis. Using one range-separation parameter within either the complementary error function (erfc) or a sum of two error functions (terfc), superior behavior is obtained versus both MP2/aDZ and MP2/CBS for inter- and intra-molecular test sets. Attenuation of the long-range helps to cancel both BSSE and intrinsic MP2 errors. Direct scaling of the MP2 correlation energy (SMP2) proves useful as well. The resulting SMP2/aDZ, MP2(erfc, aDZ), and MP2(terfc, aDZ) methods perform far better than MP2/aDZ across systems with hydrogen-bonding, dispersion, and mixed interactions at a

  16. Perturbation theory for short-range weakly-attractive potentials in one dimension

    NASA Astrophysics Data System (ADS)

    Amore, Paolo; Fernández, Francisco M.

    2017-03-01

    We have obtained the perturbative expressions up to sixth order for the energy of the bound state in a one dimensional, arbitrarily weak, short range finite well, applying a method originally developed by Gat and Rosenstein Ref. [1]. The expressions up to fifth order reproduce the results already known in the literature, while the sixth order had not been calculated before. As an illustration of our formulas we have applied them to two exactly solvable problems and to a nontrivial problem.

  17. Short-range photoassociation of LiRb

    NASA Astrophysics Data System (ADS)

    Blasing, D. B.; Stevenson, I. C.; Pérez-Ríos, J.; Elliott, D. S.; Chen, Y. P.

    2016-12-01

    We have observed short-range photoassociation of 7Li85Rb to the two lowest vibrational states of the d 3Π potential. We have also observed several a3Σ+ vibrational levels with generation rates between ˜102 and ˜103 molecules per second, resulting from the spontaneous decay of these d 3Π molecules. We observe an alternation of the peak heights in the rotational photoassociation spectrum that depends on the parity of the excited molecular state. Franck-Condon overlap calculations predict that photoassociation to higher vibrational levels of the d 3Π potential, in particular, the sixth vibrational level, should populate the lowest vibrational level of the a 3Σ+ state at a rate as high as 104 molecules per second. This work also motivates an experimental search for short-range photoassociation to other bound molecular states, such as c 3Σ+ or b 3Π , as prospects for preparing ground-state molecules.

  18. Recent results on short-range gravity experiment

    NASA Astrophysics Data System (ADS)

    Hata, Maki; Akiyama, Takashi; Ikeda, Yuki; Kawamura, Hirokazu; Narita, Keigo; Ninomiya, Kazufumi; Ogawa, Naruya; Sato, Toshiaki; Seitaibashi, Etsuko; Sekiguchi, Yuta; Tsutsui, Ryosuke; Yazawa, Kazumasa; Murata, Jiro

    2009-10-01

    According to the ADD model [1], deviation from Newton's inverse square law is expected at below sub-millimeter scale. Present study is an experimental investigation of the Newton's gravitational law at a short range scale. We have developed an experimental setup using torsion balance bar, and succeeded to confirm the inverse square law at a centimeter scale. In addition, composition dependence of gravitational constant G is also tested at the centimeter scale, motivated to test the weak equivalence principle.

  19. Short-range inverse-square law experiment in space

    NASA Technical Reports Server (NTRS)

    Paik, H. J.; Moody, M. V.

    2002-01-01

    Newton's inverse-square law is a cornerstone of General Relativity. Its validity has been demonstrated to better than one part in thousand in ranges greater than 1 cm. The range below 1 mm has been left largely unexplored, due to the difficulties associated with designing sensitive short-range experiments. However, the theoretical rationale for testing Newton's law at ranges below 1 mm has become very strong recently.

  20. Short Range Correlations, Inclusive Electron-Nucleus Scattering, and Scaling

    SciTech Connect

    Day, Donal

    2008-10-13

    The presence of high momentum components in the nuclear wavefunction has been of great interest for many years. Unfortunately high momentum components, associated with the short range correlations (SRC), have been difficult to isolate unambiquously. Inclusive electron scattering cross sections in the quasielastic region have been measured over a wide range of energy and momentum transfers from very light to very heavy nuclei and the scaling analyses of these data can provide useful information on the presence of SRCs and more.

  1. Short-range scattering of Hartree type fractional NLS

    NASA Astrophysics Data System (ADS)

    Cho, Yonggeun

    2017-01-01

    In this paper we consider scattering problem for Hartree type fractional NLS with | ∇|α (1 < α < 2) and potential V ∼ | x|-γ. We show small data scattering in a weighted space for the short range >6-2α/4-α < γ < 2. The difficulty arises from the non-locality and non-smoothness of | ∇|α. To overcome it we utilize the method of commutator estimate based on Balakrishnan's formula.

  2. Effect of short range hydrodynamic on bimodal colloidal gel systems

    NASA Astrophysics Data System (ADS)

    Boromand, Arman; Jamali, Safa; Maia, Joao

    2015-03-01

    Colloidal Gels and disordered arrested systems has been studied extensively during the past decades. Although, they have found their place in multiple industries such as cosmetic, food and so on, their physical principals are still far beyond being understood. The interplay between different types of interactions from quantum scale, Van der Waals interaction, to short range interactions, depletion interaction, and long range interactions such as electrostatic double layer makes this systems challenging from simulation point of view. Many authors have implemented different simulation techniques such as molecular dynamics (MD) and Brownian dynamics (BD) to capture better picture during phase separation of colloidal system with short range attractive force. However, BD is not capable to include multi-body hydrodynamic interaction and MD is limited by the computational resources and is limited to short time and length scales. In this presentation we used Core-modified dissipative particle dynamics (CM-DPD) with modified depletion potential, as a coarse-grain model, to address the gel formation process in short ranged-attractive colloidal suspensions. Due to the possibility to include and separate short and long ranged-hydrodynamic forces in this method we studied the effect of each of those forces on the final morphology and report one of the controversial question in this field on the effect of hydrodynamics on the cluster formation process on bimodal, soft-hard colloidal mixtures.

  3. Ab initio molecular dynamics simulations of short-range order in Zr50Cu45Al5 and Cu50Zr45Al5 metallic glasses

    SciTech Connect

    Huang, Yuxiang; Huang, Li; Wang, C. Z.; Kramer, M. J.; Ho, K. M.

    2016-02-01

    Comparative analysis between Zr-rich Zr50Cu45Al5 and Cu-rich Cu50Zr45Al5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr50Cu45Al5 and Cu50Zr45Al5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons < 0,0,12,0 > is dominant, and in the Cu-rich one the distorted icosahedral orders, especially < 0,2,8,2 > and < 0,2,8,1 >, are prominent. And the < 0,2,8,2 > polyhedra in Cu50Zr45Al5 MG mainly originate from Al-centered clusters, while the < 0,0,12,0 > in Zr50Cu45Al5 derives from both Cu-centered clusters and Al-centered clusters. These difference may be ascribed to the atomic size difference and chemical property between Cu and Zr atoms. Lastly, the relatively large size of Zr and large negative heat of mixing between Zr and Al atoms, enhancing the packing density and stability of metallic glass system, may be responsible for the higher glass forming ability of Zr50Cu45Al5.

  4. Hand-Held Units for Short-Range Wireless Biotelemetry

    NASA Technical Reports Server (NTRS)

    Miranda, Felix A.; Simons, Rainee N.

    2008-01-01

    Special-purpose hand-held radiotransceiver units have been proposed as means of short-range radio powering and interrogation of surgically implanted microelectromechanical sensors and actuators. These units are based partly on the same principles as those of the units described in "Printed Multi- Turn Loop Antennas for RF Biotelemetry" (LEW-17879-1), NASA Tech Briefs, Vol. 31, No. 6 (June 2007), page 48. Like the previously reported units, these units would make it unnecessary to have wire connections between the implanted devices and the external equipment used to activate and interrogate them. Like a unit of the previously reported type, a unit of the type now proposed would include a printed-circuit antenna on a dielectric substrate. The antenna circuitry would include integrated surface-mount inductors for impedance tuning. Circuits for processing the signals transmitted and received by the antenna would be included on the substrate. During operation, the unit would be positioned near (but not in electrical contact with) a human subject, in proximity to a microelectromechanical sensor or actuator that has been surgically implanted in the subject. It has been demonstrated that significant electromagnetic coupling with an implanted device could be established at a distance of as much as 4 in. (.10 cm). During operation in the interrogation mode, the antenna of the unit would receive a radio telemetry signal transmitted by the surgically implanted device. The antenna substrate would have dimensions of approximately 3.25 by 3.75 inches (approximately 8.3 by 9.5 cm). The substrate would have a thickness of the order of 30 mils (of the order of a somewhat less than a millimeter). The substrate would be made of low-radiofrequency- loss dielectric material that could be, for example, fused quartz, alumina, or any of a number of commercially available radio-frequency dielectric composite materials. The antenna conductors would typically be made of copper or a

  5. Impact of prescribed diabatic heating on short range weather forecasts

    NASA Technical Reports Server (NTRS)

    Marx, L.; Shukla, J.

    1984-01-01

    Using the 9 layer general circulation model developed at the Goddard Laboratory for Atmospheric Sciences (GLAS), several 4 to 5 day integrations were made to assess the impact that latent heating processes (supersaturation and moist convective) have on the model forecasts. In an earlier study by Shukla (1981) it was hypothesized that because of strong interaction between dynamics and moist convection, small initial errors grow very fast and make short range forecasting difficult. The purpose of this study was to examine if prescribed heating rates can improve the forecasts for a few days.

  6. Unsupervised learning in neural networks with short range synapses

    NASA Astrophysics Data System (ADS)

    Brunnet, L. G.; Agnes, E. J.; Mizusaki, B. E. P.; Erichsen, R., Jr.

    2013-01-01

    Different areas of the brain are involved in specific aspects of the information being processed both in learning and in memory formation. For example, the hippocampus is important in the consolidation of information from short-term memory to long-term memory, while emotional memory seems to be dealt by the amygdala. On the microscopic scale the underlying structures in these areas differ in the kind of neurons involved, in their connectivity, or in their clustering degree but, at this level, learning and memory are attributed to neuronal synapses mediated by longterm potentiation and long-term depression. In this work we explore the properties of a short range synaptic connection network, a nearest neighbor lattice composed mostly by excitatory neurons and a fraction of inhibitory ones. The mechanism of synaptic modification responsible for the emergence of memory is Spike-Timing-Dependent Plasticity (STDP), a Hebbian-like rule, where potentiation/depression is acquired when causal/non-causal spikes happen in a synapse involving two neurons. The system is intended to store and recognize memories associated to spatial external inputs presented as simple geometrical forms. The synaptic modifications are continuously applied to excitatory connections, including a homeostasis rule and STDP. In this work we explore the different scenarios under which a network with short range connections can accomplish the task of storing and recognizing simple connected patterns.

  7. On the universality of the long-/short-range separation in multiconfigurational density-functional theory.

    PubMed

    Fromager, Emmanuel; Toulouse, Julien; Jensen, Hans Jorgen Aa

    2007-02-21

    In many cases, the dynamic correlation can be calculated quite accurately and at a fairly low computational cost in Kohn-Sham density-functional theory (KS-DFT), using current standard approximate functionals. However, in general, KS-DFT does not treat static correlation effects (near degeneracy) adequately which, on the other hand, can be described in wave-function theory (WFT), for example, with a multiconfigurational self-consistent field (MCSCF) model. It is therefore of high interest to develop a hybrid model which combines the best of both WFT and DFT approaches. The merge of WFT and DFT can be achieved by splitting the two-electron interaction into long-range and short-range parts. The long-range part is then treated by WFT and the short-range part by DFT. In this work the authors consider the so-called "erf" long-range interaction erf(micror12)/r12, which is based on the standard error function, and where mu is a free parameter which controls the range of the long-/short-range decomposition. In order to formulate a general method, they propose a recipe for the definition of an optimal microopt parameter, which is independent of the approximate short-range functional and the approximate wave function, and they discuss its universality. Calculations on a test set consisting of He, Be, Ne, Mg, H2, N2, and H2O yield microopt approximately 0.4 a.u.. A similar analysis on other types of test systems such as actinide compounds is currently in progress. Using the value of 0.4 a.u. for micro, encouraging results are obtained with the hybrid MCSCF-DFT method for the dissociation energies of H2, N2, and H2O, with both short-range local-density approximation and PBE-type functionals.

  8. Detecting magnetic ordering with atomic size electron probes

    SciTech Connect

    Idrobo, Juan Carlos; Rusz, Ján; Spiegelberg, Jakob; McGuire, Michael A.; Symons, Christopher T.; Vatsavai, Ranga Raju; Cantoni, Claudia; Lupini, Andrew R.

    2016-05-27

    While magnetism originates at the atomic scale, the existing spectroscopic techniques sensitive to magnetic signals only produce spectra with spatial resolution on a larger scale. However, recently, it has been theoretically argued that atomic size electron probes with customized phase distributions can detect magnetic circular dichroism. Here, we report a direct experimental real-space detection of magnetic circular dichroism in aberration-corrected scanning transmission electron microscopy (STEM). Using an atomic size-aberrated electron probe with a customized phase distribution, we reveal the checkerboard antiferromagnetic ordering of Mn moments in LaMnAsO by observing a dichroic signal in the Mn L-edge. The novel experimental setup presented here, which can easily be implemented in aberration-corrected STEM, opens new paths for probing dichroic signals in materials with unprecedented spatial resolution.

  9. Detecting magnetic ordering with atomic size electron probes

    DOE PAGES

    Idrobo, Juan Carlos; Rusz, Ján; Spiegelberg, Jakob; ...

    2016-05-27

    While magnetism originates at the atomic scale, the existing spectroscopic techniques sensitive to magnetic signals only produce spectra with spatial resolution on a larger scale. However, recently, it has been theoretically argued that atomic size electron probes with customized phase distributions can detect magnetic circular dichroism. Here, we report a direct experimental real-space detection of magnetic circular dichroism in aberration-corrected scanning transmission electron microscopy (STEM). Using an atomic size-aberrated electron probe with a customized phase distribution, we reveal the checkerboard antiferromagnetic ordering of Mn moments in LaMnAsO by observing a dichroic signal in the Mn L-edge. The novel experimental setupmore » presented here, which can easily be implemented in aberration-corrected STEM, opens new paths for probing dichroic signals in materials with unprecedented spatial resolution.« less

  10. Enhanced survival of short-range magnetic correlations and frustrated interactions in R3T intermetallics

    SciTech Connect

    Baranov, Nikolai; Proshkin, Aleksei; Gubkin, Andrey; Cervellino, A.; Michor, H.; Hilsher, G.; Gerasimov, E.G.; Ehlers, Georg; Frontzek, Matthias D; Podlesnyak, Andrey A

    2012-01-01

    Elastic and inelastic neutron scattering and magnetization measurements have been used to study peculiarities of the magnetic state in R{sub 3}T compounds (R=Gd, Er, Tb; T=Ni, Co) below and above magnetic ordering temperatures. A pronounced non-Brillouin shape of the magnetization curves observed in the antiferromagnetic compounds Gd{sub 3}Ni and Tb{sub 3}Ni above their magnetic ordering temperatures together with earlier reported data about the retention of the magnetic contribution to the total specific heat of Gd{sub 3}T and anomalous behavior of the electrical resistivity above magnetic ordering temperatures are ascribed to the existence of short-range magnetic correlations in the wide temperature range in the paramagnetic state. The persistence of short-range magnetic order up to temperatures greater than 5-6 times the Neel temperature has been revealed by powder neutron diffraction measurements performed for Tb{sub 3}Ni and Tb{sub 3}Co. On the other hand, results from inelastic neutron scattering show that the low temperature magnetic excitations are strongly suppressed in both Tb{sub 3}Co and Er{sub 3}Co. It is suggested that the extended short-range magnetic correlations, which turn out to be an inherent feature of R{sub 3}T type compounds, are due to the layered crystal structure and to the difference between geometrically frustrated intra-layer exchange interactions and inter-layer exchange.

  11. Phase diagrams of model C60 and C70 fullerenes from short-range attractive potentials.

    PubMed

    Orea, Pedro

    2009-03-14

    We report a computer-simulation study of six model fluids interacting through short-range attractive potentials in order to calculate the vapor-liquid (VL) diagrams using canonical Monte Carlo simulation. It is found that the binodal curves of these systems correctly reproduce those reported in the literature for C(60) and C(70) Girifalco potentials. Besides, we found that all coexistence curves collapse into a master curve when we rescale with their respective critical points.

  12. Short-range inverse-square law experiment in space

    NASA Astrophysics Data System (ADS)

    Paik, H.; Moody, M.; Strayer, D.

    Newton's inverse-square law is a cornerstone of General Relativity. Its validity has been demonstrated to better than one part in 103 in ranges1 cm; however, experimental challenges have left ranges1 mm largely unexplored. The theoretical rationale for testing Newton's law at short ranges has become compelling. The "strong CP problem," in the Standard Model of particle physics has led to the prediction of a new particle, called the "axion," which mediates a short-range mass- mass interaction, as well as a force between intrinsic spin and mass. The axion is also a candidate for cold dark matter. A second imp etus for testing the law at the short ranges comes from string theories where a radius of compactification, R1 μm has recently been suggested. This would imply a violation of the inverse-square law at a level of one part in 104 at a 100 μm distance. The objective our proposed Inverse-Square Law Experiment in Space (ISLES) is to perform a null test of Newton's law on ISS with a resolution of one part in 10 5 at distances ranging from 100 μm to 1 mm. Thus ISLES will be sensitive enough to detect axions with the strongest allowed coupling and test the string-theory prediction with R300 nm. This represents a dramatic improvement over existing limits. The experiment will be cooled in LTMPF, which permits superconducting magnetic levitation of the test masses in the micro-g environment. Low magnetic damping, combined with a low-noise SQUID, leads to extremely low intrinsic noise in the detector. To minimize Newtonian errors, ISLES employs a near null source, a circular disk of large diameter-to-thickness ratio. Two test masses, also disk-shaped, are suspended on the two sides of the source mass at a distance of 100 μm and are configured as a superconducting differential accelerometer. As the source position is driven sinusoidally, a violation of the inverse-square law would appear at the second harmonic as a differential acceleration signal. Direct vibration

  13. Freely cooling granular gases with short-ranged attractive potentials

    SciTech Connect

    Murphy, Eric; Subramaniam, Shankar

    2015-04-15

    We treat the case of an undriven gas of inelastic hard-spheres with short-ranged attractive potentials via an extension of the pseudo-Liouville operator formalism. New evolution equations for the granular temperature and coordination number are obtained. The granular temperature exhibits deviation from both Haff’s law and the case of long-ranged potentials. We verify this departure using soft-sphere discrete element method simulations. Excellent agreement is found for the duration of the simulation even beyond where exclusively binary collisions are expected. Simulations show the emergence of strong spatial-velocity correlations on the length scale of the last peak in the pair-correlation function but do not show strong correlations beyond this length scale. We argue that molecular chaos may remain an adequate approximation if the system is modelled as a Smoluchowski type equation with aggregation and break-up processes.

  14. Short-Range Correlations in Magnetite above the Verwey Temperature

    NASA Astrophysics Data System (ADS)

    Bosak, Alexey; Chernyshov, Dmitry; Hoesch, Moritz; Piekarz, Przemysław; Le Tacon, Mathieu; Krisch, Michael; Kozłowski, Andrzej; Oleś, Andrzej M.; Parlinski, Krzysztof

    2014-01-01

    Magnetite, Fe3O4, is the first magnetic material discovered and utilized by mankind in Ancient Greece, yet it still attracts attention due to its puzzling properties. This is largely due to the quest for a full and coherent understanding of the Verwey transition that occurs at TV=124 K and is associated with a drop of electric conductivity and a complex structural phase transition. A recent detailed analysis of the structure, based on single crystal diffraction, suggests that the electron localization pattern contains linear three-Fe-site units, the so-called trimerons. Here, we show that whatever the electron localization pattern is, it partially survives up to room temperature as short-range correlations in the high-temperature cubic phase, easily discernible by diffuse scattering. Additionally, ab initio electronic structure calculations reveal that characteristic features in these diffuse scattering patterns can be correlated with the Fermi surface topology.

  15. Short Range Photoassociation of Rb2 in a Broadband Dipole Trap

    NASA Astrophysics Data System (ADS)

    Menegatti, Carlos; Tallant, Jonathan; Marangoni, Bruno; Marcassa, Luis

    2013-05-01

    The process of photoassociation has been studied using cold trapped atomic samples for the last 20 years. Due to poor Franck-Condon overlap, a free-to-bound transition followed by spontaneous decay results in a small production of electronic ground state molecules, which are spread over several high-lying vibrational states. If the photoassociation is done at short range, deeply bound ground state molecules can be formed. In our experiment, we have performed photoassociation on trapped 85Rb atoms in a crossed broadband optical dipole trap. Our crossed beam configuration uses 40 W of power (at 1071 nm, bandwidth of 2 nm) in each beam with a 40 μm waist radius at the focus. A photoassociation laser is used and is detuned ~ - 7 cm-1 from the Rb D1 line. The resulting cold Rb2 molecules are photoionized by a pulsed dye laser. The time evolution of the molecule population indicates that the photoassociated molecules are being optically pumped by the high flux of 1071 nm photons present in the trapping beam. Optically pumping the molecules suggests deeply bound excited molecular states may be produced by photoassociation at short range by the broadband 1071 nm photons. A simple theoretical model is discussed. This work was supported by Fapesp and INCT-IQ.

  16. Simple empirical order parameter for a first-order quantum phase transition in atomic nuclei.

    PubMed

    Bonatsos, Dennis; McCutchan, E A; Casten, R F; Casperson, R J

    2008-04-11

    A simple, empirical, easy-to-measure effective order parameter of a first-order phase transition in atomic nuclei is presented, namely, the ratio of the energies of the first excited 6+ and 0+ states, distinguishing between first- and second-order transitions, and taking on a special value in the critical region, as data in Nd-Dy show. In the large NB limit of the interacting boson approximation model, a repeating degeneracy between alternate yrast and successive 0+ states is found in the critical region around the line of a first-order phase transition, pointing to a possible underlying symmetry.

  17. Exploiting orbital effects for short-range extravehicular transfers

    NASA Technical Reports Server (NTRS)

    Williams, Trevor; Baughman, David

    1993-01-01

    The problem studied in this paper is that of using Simplified Aid for Extravehicular Activity (EVA) Rescue (SAFER) to carry out efficient short-range transfers from the payload bay of the Space Shuttle Orbiter to the vicinity of the underside of the vehicle, for instance for inspection and repair of thermal tiles or umbilical doors. Trajectories are shown to exist, for the shuttle flying noise forward and belly down, that take the astronaut to the vicinity of the underside with no thrusting after the initial push-off. However, these trajectories are too slow to be of practical interest, as they take roughly an hour to execute. Additionally, they are quite sensitive to errors in the initial push-off rates. To overcome both of these difficulties, trajectories are then studied which include a single in-flight impulse of small magnitude ( in the range 0.1 - 0.4 fps). For operational simplicity, this impulse is applied towards the Orbiter at the moment when the line-of -sight of the EVA crewmember is tangential to the underside of the vehicle. These trajectories are considerably faster than the non-impulsive ones: transit times of less than 10 minutes are achievable. Furthermore, the man-in-the-loop feedback scheme used for impulse timing greatly reduces the sensitivity to initial velocity errors. Finally, similar one-impulse trajectories are also shown to exist for the Orbiter in a gravity-gradient attitiude.

  18. Short range spread-spectrum radiolocation system and method

    DOEpatents

    Smith, Stephen F.

    2003-04-29

    A short range radiolocation system and associated methods that allow the location of an item, such as equipment, containers, pallets, vehicles, or personnel, within a defined area. A small, battery powered, self-contained tag is provided to an item to be located. The tag includes a spread-spectrum transmitter that transmits a spread-spectrum code and identification information. A plurality of receivers positioned about the area receive signals from a transmitting tag. The position of the tag, and hence the item, is located by triangulation. The system employs three different ranging techniques for providing coarse, intermediate, and fine spatial position resolution. Coarse positioning information is provided by use of direct-sequence code phase transmitted as a spread-spectrum signal. Intermediate positioning information is provided by the use of a difference signal transmitted with the direct-sequence spread-spectrum code. Fine positioning information is provided by use of carrier phase measurements. An algorithm is employed to combine the three data sets to provide accurate location measurements.

  19. Short-range lidar for bioagent detection and classification

    NASA Astrophysics Data System (ADS)

    Hô, Nicolas; Émond, Frédéric; Babin, François; Healy, Dave; Simard, Jean-Robert; Buteau, Sylvie; McFee, John E.

    2010-04-01

    We have developed a small, relatively lightweight and efficient short range (<100 m) LIDAR instrument for remotely detecting harmful bioagents. The system is based on a pulsed, eye-safe, 355 nm laser exciting aerosols which then fluoresce with a typical spectrum. The system makes use of a novel technology for continuously monitoring for the presence of unusual concentrations of bioaerosols at a precise remote location within the monitored area, with response within seconds. Fluorescence is spectrally resolved over 32 channels capable of photon counting. Results show a sensitivity level of 40 ACPLA of Bacillus Globigii, an anthrax simulant, at a distance of 100 m (assumed worst case where 1 ppl = 1 ACPLA) considering particle sizes between 0.5 and 10 μm, with a geometric mean at 1 um. The apparatus has been tested in the field during three test and evaluation campaigns with multiple bioagents and public security products. Preliminary results show that the system is able to distinguish between harmful bioagents and naturally occurring ones. A classification algorithm was successfully tested with a single type of bioagent; experiments for daytime measurements are discussed.

  20. Brevity is prevalent in bat short-range communication.

    PubMed

    Luo, Bo; Jiang, Tinglei; Liu, Ying; Wang, Jing; Lin, Aiqing; Wei, Xuewen; Feng, Jiang

    2013-04-01

    Animal communication follows many coding schemes. Less is known about the coding strategy for signal length and rates of use in animal vocal communication. A generalized brevity (negative relation between signal length and frequency of use) is innovatively explored but remains controversial in animal vocal communication. We tested brevity for short-range social and distress sounds from four echolocating bats: adult black-bearded tomb bat Taphozous melanopogon, Mexican free-tailed bat Tadarida brasiliensis, adult greater horseshoe bat Rhinolophus ferrumequinum, and adult least horseshoe bat Rhinolophus pusillus. There was a negative association between duration and number of social but not distress calls emitted. The most frequently emitted social calls were brief, while most distress calls were long. Brevity or lengthiness was consistently selected in vocal communications for each species. Echolocating bats seem to have convergent coding strategy for communication calls. The results provide the evidence of efficient coding in bat social vocalizations, and lay the basis of future researches on the convergence for neural control on bats' communication calls.

  1. Standoff Stack Emissions Monitoring Using Short Range Lidar

    NASA Astrophysics Data System (ADS)

    Gravel, Jean-Francois Y.; Babin, Francois; Allard, Martin

    2016-06-01

    There are well documented methods for stack emissions monitoring. These are all based on stack sampling through sampling ports in well defined conditions. Once sampled, the molecules are quantified in instruments that often use optical techniques. Unfortunately sampling ports are not found on all stacks/ducts or the use of the sampling ports cannot be planned efficiently because of operational constraints or the emissions monitoring equipment cannot be driven to a remote stack/duct. Emissions monitoring using many of the same optical techniques, but at a standoff distance, through the atmosphere, using short range high spatial resolution lidar techniques was thus attempted. Standoff absorption and Raman will be discussed and results from a field campaign will be presented along with short descriptions of the apparatus. In the first phase of these tests, the molecules that were targeted were NO and O2. Spatially resolved optical measurements allow for standoff identification and quantification of molecules, much like the standardized methods, except for the fact that it is not done in the stack, but in the plume formed by the emissions from the stack. The pros and cons will also be discussed, and in particular the problem of mass emission estimates that require the knowledge of the flow rate and the distribution of molecular concentration in the plane of measurement.

  2. Magnetic ordering and anisotropy in heavy atom radicals.

    PubMed

    Winter, Stephen M; Hill, Stephen; Oakley, Richard T

    2015-03-25

    Recent developments in stable radical chemistry have afforded "heavy atom" radicals, neutral open-shell (S = 1/2) molecular species containing heavy p-block elements (S, Se), which display solid-state magnetic properties once considered exclusive to conventional metal-based magnets. These highly spin-delocalized radicals do not associate in the solid state and yet display extensive networks of close intermolecular interactions. Spin density on the heavy atoms allows for increased isotropic and spin-orbit mediated anisotropic exchange effects. Structural variations induced by chemical modification and physical pressure, coupled with ab-initio methods to estimate exchange energies, have facilitated the development of predictive structure/property relationships. These results, coupled with detailed theoretical analyses and magnetic resonance spectroscopic measurements, have provided insight into the magnetic structure of ferromagnetic and spin-canted antiferromagnetic ordered materials as well as an understanding of the importance of spin-orbit coupling contributions to magnetic hysteresis and anisotropy. Isotropic and anisotropic ferromagnetic exchange can also be enhanced indirectly by the incorporation of heavy atoms into nonspin-bearing sites, where they can contribute to multi-orbital spin-orbit coupling.

  3. Relativistic Hamiltonians and short-range structure of nuclei

    NASA Astrophysics Data System (ADS)

    Forest, Jun Lu

    1998-12-01

    This work is divided into two parts. In the first part, short-range structure of deuteron is studied using a nonrelativistic Hamiltonian. The equidensity surfaces for spin projection Ms = 0 distributions are found to be toroidal in shape, while those of Ms = ±1 have dumbbell shapes at large density. The toroidal shapes indicate that the tensor correlations have near maximal strength at the interparticle distance r < 2 fm. They provide new insights and simple explanations of the structure and electromagnetic form factors of the deuteron. In the second part, relativistic effects are studied using a relativistic Hamilionian defined as the sum of relativistic one-body kinetic energy, two- and three-body potentials and their boost corrections. Variational Monte Carlo method is used to study two kinds of relativistic effects in the binding energy of 3H and 4He. The first is due to the nonlocalities in the relativistic kinetic energy and relativistic one-pion exchange potential (OPEP) and the second is from boost interaction. The OPEP contribution is reduced by ~15% by the relativistic nonlocality, which may also have significant effects on pion exchange currents. However, almost all of this reduction is canceled by changes in the kinetic energy and other interaction terms, and the total effect of the nonlocalities on the binding energy is very small. The boost interactions, on the other hand, give repulsive contributions of ~0.4 (1.9) MeV in 3H (4He) and account for ~1/3 of the phenomenological part of the three-nucleon interaction needed in the nonrelativistic Hamiltonians.

  4. Tagging the EMC effect with Short-Range Correlated protons

    NASA Astrophysics Data System (ADS)

    Gilad, Shalev; Schmookler, Barak

    2014-09-01

    A linear correlation is observed between the slope of the typical EMC curve for 0.3 short-range correlated (SRC) nucleon pairs in nuclei. This correlation is surprising because of the vastly different energy and distance scales of EMC and SRC. A possible explanation is that the modification of the nucleon structure-functions F2(A) in the nucleus depend on the virtuality of nucleons and is pronounced for SRC nucleons that are highly virtual. We are studying this hypothesis by tagging EMC events with high-momentum protons recoiling backward to the transferred-momentum direction, which have been shown to be spectators in scattering off their SRC partners. The DIS data off several nuclei were collected during the eg2 running period using the CLAS detector at JLab. These data are being analyzed now as part of the data mining project. We shall present preliminary results of ratios of inclusive DIS A(e,e')X/d(e,e')X, semi-exclusive DIS A(e , e 'precoil)X/d(e,e'precoil)X and semi-exclusive to inclusive DIS A(e,e'precoil)X/d(e,e')X. We shall discuss these results with respect to our hypothesis that the EMC effect is related to DIS from highly virtual, SRC nucleons.

  5. Short-range interactions in an effective field theory approach for nucleon-nucleon scattering

    SciTech Connect

    Scaldeferri, K.A.; Phillips, D.R.; Kao, C.; Cohen, T.D.

    1997-08-01

    We investigate in detail the effect of making the range of the {open_quotes}contact{close_quotes} interaction used in effective field theory (EFT) calculations of NN scattering finite. This is done in both an effective field theory with explicit pions, and one where the pions have been integrated out. In both cases we calculate NN scattering in the {sup 1}S{sub 0} channel using potentials which are second order in the EFT expansion. The contact interactions present in the EFT Lagrangian are made finite by use of a square-well regulator. We find that there is an optimal radius for this regulator, at which second-order corrections to the EFT are identically zero; for radii near optimal these second-order corrections are small. The cutoff EFT{close_quote}s which result from this procedure appear to be valid for momenta up to about 100{endash}150MeV/c. We also find that the radius of the square well cannot be reduced to zero if the theory is to reproduce both the experimental scattering length and effective range. Indeed, we show that, if the NN potential is the sum of a one-pion-exchange piece and a short-range interaction, then the short-range piece must extend out beyond 1.05 fm, regardless of its particular form. {copyright} {ital 1997} {ital The American Physical Society}

  6. Minimal mechanism leading to discontinuous phase transitions for short-range systems with absorbing states

    NASA Astrophysics Data System (ADS)

    Fiore, Carlos E.

    2014-02-01

    Motivated by recent findings, we discuss the existence of a direct and robust mechanism providing discontinuous absorbing transitions in short-range systems with single species, with no extra symmetries or conservation laws. We consider variants of the contact process, in which at least two adjacent particles (instead of one, as commonly assumed) are required to create a new species. Many interaction rules are analyzed, including distinct cluster annihilations and a modified version of the original pair contact process. Through detailed time-dependent numerical simulations, we find that for our modified models, the phase transitions are of first order, hence contrasting with their corresponding usual formulations in the literature, which are of second order. By calculating the order-parameter distributions, the obtained bimodal shapes as well as the finite-scale analysis reinforce coexisting phases and thus a discontinuous transition. These findings strongly suggest that the above particle creation requirements constitute a minimum and fundamental mechanism determining the phase coexistence in short-range contact processes.

  7. Electron Diffraction Evidence for the Ordering of Excess Nickel Atoms by Relation to Stoichiometry in Nickel-Rich Beta'-Nial Formation of a Nickel-Aluminum (Ni2al) Superlattices

    NASA Technical Reports Server (NTRS)

    Reynaud, F.

    1988-01-01

    In electron diffraction patterns of nickel-rich beta-NiAl alloys, many anomalies are observed. One of these is the appearance of diffuse intensity maxima between the reflexions of the B2 structure. This is explained by the short-range ordering of the excess nickel atoms on the simple cubic sublattice occupied only by aluminum atoms in the stoichiometric, perfectly ordered NiAl alloy. After annealing Ni 37.5 atomic percent Al and Ni 37.75 atomic percent Al for 1 week at 300 and 400 C, the diffuse intensity maxima transformed into sharp superstructure reflexions. These reflexions are explained by the formation of the four possible variants of an ordered hexagonal superstructure corresponding to the Ni2Al composition. This structure is closely related to the Ni2Al3 structure (same space group) formed by the ordering of vacancies on the nickel sublattice in aluminum-rich beta-NiAl alloys.

  8. Ultra-fast photo-carrier relaxation in Mott insulators with short-range spin correlations

    PubMed Central

    Eckstein, Martin; Werner, Philipp

    2016-01-01

    Ultra-fast spectroscopy can reveal the interplay of charges with low energy degrees of freedom, which underlies the rich physics of correlated materials. As a potential glue for superconductivity, spin fluctuations in Mott insulators are of particular interest. A theoretical description of the coupled spin and charge degrees of freedom is challenging, because magnetic order is often only short-lived and short-ranged. In this work we theoretically investigate how the spin-charge interactions influence the relaxation of a two-dimensional Mott-Hubbard insulator after photo-excitation. We use a nonequilibrium variant of the dynamical cluster approximation, which, in contrast to single-site dynamical mean-field theory, captures the effect of short-range correlations. The relaxation time is found to scale with the strength of the nearest-neighbor spin correlations, and can be 10–20 fs in the cuprates. Increasing the temperature or excitation density decreases the spin correlations and thus implies longer relaxation times. This may help to distinguish the effect of spin-fluctuations on the charge relaxation from the influence of other bosonic modes in the solid. PMID:26883536

  9. Ultra-fast photo-carrier relaxation in Mott insulators with short-range spin correlations

    NASA Astrophysics Data System (ADS)

    Eckstein, Martin; Werner, Philipp

    2016-02-01

    Ultra-fast spectroscopy can reveal the interplay of charges with low energy degrees of freedom, which underlies the rich physics of correlated materials. As a potential glue for superconductivity, spin fluctuations in Mott insulators are of particular interest. A theoretical description of the coupled spin and charge degrees of freedom is challenging, because magnetic order is often only short-lived and short-ranged. In this work we theoretically investigate how the spin-charge interactions influence the relaxation of a two-dimensional Mott-Hubbard insulator after photo-excitation. We use a nonequilibrium variant of the dynamical cluster approximation, which, in contrast to single-site dynamical mean-field theory, captures the effect of short-range correlations. The relaxation time is found to scale with the strength of the nearest-neighbor spin correlations, and can be 10–20 fs in the cuprates. Increasing the temperature or excitation density decreases the spin correlations and thus implies longer relaxation times. This may help to distinguish the effect of spin-fluctuations on the charge relaxation from the influence of other bosonic modes in the solid.

  10. Analytic description of high-order harmonic generation by atoms in a two-color laser field

    SciTech Connect

    Frolov, M. V.; Manakov, N. L.; Silaev, A. A.; Vvedenskii, N. V.

    2010-06-15

    A closed-form analytic formula describing high-order harmonic generation (HHG) in a two-color field of frequencies {omega} and 2{omega} is derived quantum mechanically in the low-frequency (tunneling) limit for an electron bound by a short-range potential and generalized to the case of an active electron in a neutral atom. The HHG rates are presented as a product of an electron wave packet describing the ionization of an active electron and its propagation in a laser field up to the recombination event and an atom-specific cross section of the electron's photorecombination. In contrast to the case of a monochromatic laser pulse [Frolov et al., Phys. Rev. Lett. 102, 243901 (2009)], the two-color wave packet involves the interference of two terms (involving the Airy function) that describe the emission of harmonics during the first and second half-cycles of the fundamental laser cycle and give rise to the two-plateau structures in the HHG spectra. For the case of the H atom, we show that our analytic results are in good agreement with those obtained from a numerical solution of the three-dimensional time-dependent Schroedinger equation. The factorization formula is used for describing the dependence of HHG rates for inert gases on the relative phase and intensities of the {omega} and 2{omega} components of a laser field. It is shown that atomic structure (including electron correlation) effects can modify substantially the two-color HHG spectra of inert gases.

  11. Short-Range Interaction Energies and Forces Between Glucose and Silica

    NASA Astrophysics Data System (ADS)

    Kwon, K.; Kubicki, J. D.

    2002-12-01

    Many researchers have attempted to explain bacterial adhesion with DLVO theory and have had some success in describing long-range interactions. However, DLVO theory cannot properly explain the energetics of adhesion on a short-range scale (less than 1 nm). To understand short-range interactions of bacterial lipopolysaccharides (LPS) with mineral surfaces, we have calculated the structure and energetics of a glucose monomer interacting with a model silica surface (silsesquioxane). Glucose was chosen because it is the monomeric unit of the polymer Dextran which has been used as a model LPS. Silsesquioxane was selected because it is a convenient molecule that captures the most important silanol functional groups of the silica surface. Ab initio calculations were carried out with Gaussian 98 using both the HF/3-21G(d,p) and B3LYP/6-311++G(d,p) methods. The former basis set was used to generate approximations for the structure of the glucose-silsesquioxane dimer and the latter was used to calculate potential energies. A full energy minimization without any constraints was conducted to determine the most stable configuration of the dimer. Constrained energy minimizations were then conducted based on the optimized structure with the atoms of the silsesquioxane constrained. In addition, the interatomic distances between four atoms in the glucose molecule and four atoms in the silsesquioxane were also constrained to mimic the approach of the end of a LPS to a silica surface. The derivatives of the calculated potential energy were used to predict a force versus distance curve for these two molecules. The model predicts the formation of four H-bonds between the glucose and silsesquioxane that result in a minimum energy distance of approximately 2.4 Angstroms between the two molecules. The total interaction energy is close to -40 kJ/mol, which is reasonable based on experimental H-bond energies. The maximum attractive force predicted at 2.8 Angstroms is -0.24 nN, and the

  12. Search for exotic short-range interactions using paramagnetic insulators

    DOE PAGES

    Chu, Pinghan; Weisman, E.; Liu, C. -Y.; ...

    2015-05-26

    We describe a proposed experimental search for exotic spin-coupled interactions using a solid-state paramagnetic insulator. The experiment is sensitive to the net magnetization induced by the exotic interaction between the unpaired insulator electrons with a dense, nonmagnetic mass in close proximity. An existing experiment has been used to set limits on the electric dipole moment of the electron by probing the magnetization induced in a cryogenic gadolinium gallium garnet sample on application of a strong electric field. With suitable additions, including a movable source mass, this experiment can be used to explore “monopole-dipole” forces on polarized electrons with unique ormore » unprecedented sensitivity. As a result, the solid-state, nonmagnetic construction, combined with the low-noise conditions and extremely sensitive magnetometry available at cryogenic temperatures could lead to a sensitivity over 10 orders of magnitude greater than exiting limits in the range below 1 mm.« less

  13. Search for exotic short-range interactions using paramagnetic insulators

    SciTech Connect

    Chu, Pinghan; Weisman, E.; Liu, C. -Y.; Long, J. C.

    2015-05-26

    We describe a proposed experimental search for exotic spin-coupled interactions using a solid-state paramagnetic insulator. The experiment is sensitive to the net magnetization induced by the exotic interaction between the unpaired insulator electrons with a dense, nonmagnetic mass in close proximity. An existing experiment has been used to set limits on the electric dipole moment of the electron by probing the magnetization induced in a cryogenic gadolinium gallium garnet sample on application of a strong electric field. With suitable additions, including a movable source mass, this experiment can be used to explore “monopole-dipole” forces on polarized electrons with unique or unprecedented sensitivity. As a result, the solid-state, nonmagnetic construction, combined with the low-noise conditions and extremely sensitive magnetometry available at cryogenic temperatures could lead to a sensitivity over 10 orders of magnitude greater than exiting limits in the range below 1 mm.

  14. Eye safe short range standoff aerosol cloud finder.

    SciTech Connect

    Bambha, Ray P.; Schroder, Kevin L.; Reichardt, Thomas A.

    2005-02-01

    Because many solid objects, both stationary and mobile, will be present in an indoor environment, the design of an indoor aerosol cloud finding lidar (light detection and ranging) instrument presents a number of challenges. The cloud finder must be able to discriminate between these solid objects and aerosol clouds as small as 1-meter in depth in order to probe suspect clouds. While a near IR ({approx}1.5-{micro}m) laser is desirable for eye-safety, aerosol scattering cross sections are significantly lower in the near-IR than at visible or W wavelengths. The receiver must deal with a large dynamic range since the backscatter from solid object will be orders of magnitude larger than for aerosol clouds. Fast electronics with significant noise contributions will be required to obtain the necessary temporal resolution. We have developed a laboratory instrument to detect aerosol clouds in the presence of solid objects. In parallel, we have developed a lidar performance model for performing trade studies. Careful attention was paid to component details so that results obtained in this study could be applied towards the development of a practical instrument. The amplitude and temporal shape of the signal return are analyzed for discrimination of aerosol clouds in an indoor environment. We have assessed the feasibility and performance of candidate approaches for a fieldable instrument. With the near-IR PMT and a 1.5-{micro}m laser source providing 20-{micro}J pulses, we estimate a bio-aerosol detection limit of 3000 particles/l.

  15. Short Range Photoassociation of Rb2 by a high power fiber laser

    NASA Astrophysics Data System (ADS)

    Passagem, Henry; Rodriguez, Ricardo; Ventura, Paulo; Bouloufa, Nadia; Dulieu, Olivier; Marcassa, Luis

    2016-05-01

    Photoassociation has been studied using cold trapped atomic samples for the last 20 years. Due to poor Franck-Condon overlap, a free-to-bound transition followed by spontaneous decay results in a small production of electronic ground state molecules. If the photoassociation is done at short range, deeply bound ground state molecules can be formed. Optical pumping schemes can be used to populate a single state. In our experiment, we have performed trap loss spectroscopy on trapped 85 Rb atoms in a MOT using a high power fiber laser. Our single mode fiber laser (linewidth < 1 MHz) produces about 50 W, which can be tuned in the 1060-1070 nm range. Two vibrational bound states of the 0u+ potential were observed (ν = 137 and 138). The frequency positions as well as the rotational constants of these states are in good agreement with theoretical predictions. We have also measured the lifetime of a crossed optical dipole trap using such fiber laser. The lifetime on resonance is shorter than off resonance as expected. A simple theoretical model indicates that the molecules decay to deeply bound vibrational levels in the ground state. This work was supported by Fapesp and INCT-IQ.

  16. Short-range variation in a Wisconsin soilscape (USA)

    NASA Astrophysics Data System (ADS)

    Hartemink, A. E.; Gennadiyev, A. N.; Bockheim, J. G.; Bero, N.

    2017-02-01

    Here we report on the variation of a soilscape in south central Wisconsin, USA. The variation in soil properties and soil features results in four soil order (Entisols, Inceptisols, Alfisols and Mollisols). Observations were made along a 200 m transect in a field that was cultivated since 1870. Slopes ranged from 7.5% on the back slope to 0% in the lower part. The soilscape had a total relief difference of 7.0 m. The soils were studied by 41 soil pits (60 cm), 6 soil pits (125 cm), 15 soil augers (100 cm), and ground-penetrating radar imagery. The summit and shoulder consist of coarse glacial outwash (loamy sands) over limestone whereas the lower part is lacustrine sediments over coarse outwash (loams, silty loams). The A-horizon thickness ranged from 14 to 52 cm with thick A horizons at the toeslope that also had the lowest soil pH. The soil organic carbon (SOC) contents of the A horizons ranged from 11.6 to 46.9 g C kg-1, and the higher contents are in the lower part of the soilscape. SOC stocks (0-20 cm depth) ranged from 50 to 70 Mg C ha-1 on the summit and backslope, but were 80 to 95 Mg C ha-1 in the flat part of the soilscape. The lowest soybean yields (1.6 Mg ha-1) were found at the summit and the highest yield (6.3 Mg ha-1) at the lower end of the backslope. Soybean yields were correlated to the thickness of the A horizon, and every 10 cm increase in A horizon thickness yielded an extra 0.6 Mg soybeans ha-1. Analysis of spherical magnetic particles was used to estimate soil erosion rates that were highest on the backslope (16.2 Mg ha-1 yr-1) and rates of soil deposition in the lowest part of the soilscape was 18.8 Mg haP1 yr-1. It seems that there is no net soil and SOC loss within this soilscape. All in all, we found 4 soil taxonomic orders within 200 m. The variation in this soilscape was substantial and probably enhanced by 140 years of cultivation.

  17. Atomic ordering in Au-(42 to 50) at.% Pd: A diffuse scattering and first-principles investigation

    NASA Astrophysics Data System (ADS)

    Schönfeld, B.; Sax, C. R.; Ruban, A. V.

    2012-01-01

    Atomic ordering in Au-Pd alloys was studied by diffuse x-ray scattering and first-principles methods. Diffuse scattering was done of a single crystal of Au-48 at.% Pd that was aged at 703 K for 24 days. The weakly modulated short-range-order scattering exhibits diffuse maxima with an incommensurate wave vector, which can be related to a Fermi-surface nesting mechanism. From effective pair interaction parameters determined by the inverse Monte Carlo method, a one-dimensional long-period superstructure of the CH structure, LPS1, was found for AuPd. Concurrent electronic-structure calculations of the effective cluster interaction (ECI) parameters indicated the presence of another closely related superstructure, LPS2, at 0 K. At the same time, direct first-principles calculations of the total energies of the CH structure and further one-dimensional long-period superstructures predicted the stabilization of LPS4. Although the energy differences between these structures are small and a complex behavior of the effective interactions is expected due to the Fermi-surface nesting, experimental data and theoretical results both support the stabilization of a long-period superstructure of the CH structure for AuPd at 0 K. The ECI parameters determined by the screened generalized perturbation method also predicted a ground-state structure different from Au7Pd5, previously obtained from cluster expansion calculations. Its energetic preference was confirmed by direct total-energy calculations.

  18. Null Test of Newtonian Inverse-Square-Law at Short Range: Current Status and Developments

    NASA Astrophysics Data System (ADS)

    Guan, S.; Tu, L.; Luo, J.; Shao, C.; Liu, L.

    Motivated by a variety of novel theories that predict new effects,we will test Newtonian inverse-square law (ISL) at several sub-millimeter separations using a torsion pendulum in its horizontal direction. We had tested ISL at separations ranging down to 176μ m, previous result stated that no new effects were observed. [L. C. Tu, S. G. Guan, J. Luo, C. G. Shao and L. X. Liu, Phys. Rev. Lett. 98 (2007), 201101.] On the basis of before, an improved ISL experiment (IISL) has been proposed, detecting distance will close up to 120μm and prospective result will set a constraint on Yukawa interactions with | α | ≥ 1 at 95% confidence for λ < 33 μ m, which will improve previous short-range constraints by one order at least.

  19. Homodyne detection of short-range Doppler radar using a forced oscillator model

    PubMed Central

    Kittipute, Kunanon; Saratayon, Peerayudh; Srisook, Suthasin; Wardkein, Paramote

    2017-01-01

    This article presents the homodyne detection in a self-oscillation system, which represented by a short-range radar (SRR) circuit, that is analysed using a multi-time forced oscillator (MTFO) model. The MTFO model is based on a forced oscillation perspective with the signal and system theory, a second-order differential equation, and the multiple time variable technique. This model can also apply to analyse the homodyne phenomenon in a difference kind of the oscillation system under same method such as the self-oscillation system, and the natural oscillation system with external forced. In a free oscillation system, which forced by the external source is represented by a pendulum with an oscillating support experiment, and a modified Colpitts oscillator circuit in the UHF band with input as a Doppler signal is a representative of self-oscillation system. The MTFO model is verified with the experimental result, which well in line with the theoretical analysis. PMID:28252000

  20. Homodyne detection of short-range Doppler radar using a forced oscillator model

    NASA Astrophysics Data System (ADS)

    Kittipute, Kunanon; Saratayon, Peerayudh; Srisook, Suthasin; Wardkein, Paramote

    2017-03-01

    This article presents the homodyne detection in a self-oscillation system, which represented by a short-range radar (SRR) circuit, that is analysed using a multi-time forced oscillator (MTFO) model. The MTFO model is based on a forced oscillation perspective with the signal and system theory, a second-order differential equation, and the multiple time variable technique. This model can also apply to analyse the homodyne phenomenon in a difference kind of the oscillation system under same method such as the self-oscillation system, and the natural oscillation system with external forced. In a free oscillation system, which forced by the external source is represented by a pendulum with an oscillating support experiment, and a modified Colpitts oscillator circuit in the UHF band with input as a Doppler signal is a representative of self-oscillation system. The MTFO model is verified with the experimental result, which well in line with the theoretical analysis.

  1. Short-range correlations in the magnetic ground state of Na4 Ir3 O8

    NASA Astrophysics Data System (ADS)

    Dally, Rebecca; Hogan, Tom; Amato, Alex; Luetkens, Hubertus; Baines, Chris; Rodriguez-Rivera, Jose; Graf, Michael; Wilson, Stephen

    2015-03-01

    The magnetic ground state of the candidate three-dimensional quantum spin liquid Na4 Ir3O8 has been studied through bulk magnetization, muon spin relaxation and neutron scattering measurements. Na4 Ir3O8 possesses a unique hyper-Kagome lattice of Ir moments that is potentially accompanied by a novel realization of Heisenberg-Kitaev exchange. This fact combined with the absence of previously reported magnetic ordering has led to its candidacy as a three-dimensional quantum spin liquid. Our combined experimental data show that a short-range, frozen, ground state comprised of quasi-static moments develops in this material below a characteristic temperature TF = 6 K , persisting down until at least 20 mK. The expected dynamical ground state of a quantum spin liquid was not observed but rather an inhomogeneous quasi-static spin state that survives with persistent long timescale fluctuations.

  2. Short range ferromagnetic, magneto-electric, and magneto-dielectric effect in ceramic Co3TeO6

    NASA Astrophysics Data System (ADS)

    Singh, Harishchandra; Ghosh, Haranath; Chandrasekhar Rao, T. V.; Sharma, G.; Saha, J.; Patnaik, S.

    2016-01-01

    We report observation of magneto-electric and magneto-dielectric couplings along with short range ferromagnetic order in ceramic Cobalt Tellurate (Co3TeO6, CTO) using magnetic, structural, dielectric, pyroelectric, and polarization studies. DC magnetization along with dielectric constant measurements indicate a coupling between magnetic order and electrical polarization. A strong anomaly in the dielectric constant at ˜17.4 K in zero magnetic field indicates spontaneous electric polarization, consistent with a recent neutron diffraction study. Observation of weak short range ferromagnetic order at lower temperatures is attributed to the Griffiths-like ferromagnetism. Furthermore, magnetic field dependence of the ferroelectric transition follows earlier theoretical predictions, applicable to single crystal CTO. Finally, combined dielectric, pyroelectric, and polarization measurements suggest that the ground state of CTO may possess spontaneous symmetry breaking in the absence of magnetic field.

  3. Electric field induced short range to long range structural ordering and its influence on the Eu{sup +3} photoluminescence in the lead-free ferroelectric Na{sub 1/2}Bi{sub 1/2}TiO{sub 3}

    SciTech Connect

    Kalaskar, Abhijeet; Rao, Badari Narayana; Ranjan, Rajeev; Thomas, Tiju

    2015-06-28

    Eu{sup +3} was incorporated into the lattice of a lead-free ferroelectric Na{sub 1/2}Bi{sub 1/2}TiO{sub 3} (NBT) as per the nominal formula Na{sub 0.5}Bi{sub 0.5−x}Eu{sub x}TiO{sub 3}. This system was investigated with regard to the Eu{sup +3} photoluminescence (PL) and structural behaviour as a function of composition and electric field. Electric field was found to irreversibly change the features in the PL spectra and also in the x-ray diffraction patterns below the critical composition x = 0.025. Detailed analysis revealed that below the critical composition, electric field irreversibly suppresses the structural heterogeneity inherent of the host matrix NBT and brings about a long range ferroelectric state with rhombohedral (R3c) distortion. It is shown that the structural disorder on the nano-scale opens a new channel for radiative transition which manifests as a new emission line branching off from the main {sup 5}D{sub 0}→{sup 7}F{sub 0} line along with a concomitant change in the relative intensity of the other crystal field induced Stark lines with different J values. The study suggests that Eu{sup +3} luminescence can be used to probe the relative degree of field induced structural ordering in relaxor ferroelectrics and also in high performance piezoelectric alloys where electric field couples very strongly with the lattice and structural degrees of freedom.

  4. Very-short range forecasting system for 2018 Pyeonchang Winter Olympic and Paralympic games

    NASA Astrophysics Data System (ADS)

    Nam, Ji-Eun; Park, Kyungjeen; Kim, Minyou; Kim, Changhwan; Joo, Sangwon

    2016-04-01

    The 23rd Olympic Winter and the 13th Paralympic Winter Games will be held in Pyeongchang, Republic of Korea respectively from 9 to 25 February 2018 and from 9 to 18 February 2018. The Korea Meteorological Administration (KMA) and the National Institute for Meteorological Science (NIMS) have the responsibility to provide weather information for the management of the Games and the safety of the public. NIMS will carry out a Forecast Demonstration Project (FDP) and a Research and Development Project (RDP) which will be called ICE-POP 2018. These projects will focus on intensive observation campaigns to understand severe winter weathers over the Pyeongchang region, and the research results from the RDP will be used to improve the accuracy of nowcasting and very short-range forecast systems during the Games. To support these projects, NIMS developed Very-short range Data Assimilation and Prediction System (VDAPS), which is run in real time with 1 hour cycling interval and up to 12 hour forecasts. The domain is covering Korean Peninsular and surrounding seas with 1.5km horizontal resolution. AWS, windprofiler, buoy, sonde, aircraft, scatwinds, and radar radial winds are assimilated by 3DVAR on 3km resolution inner domain. The rain rate is converted into latent heat and initialized via nudging. The visibility data are also assimilated with the addition of aerosol control variable. The experiments results show the improvement in rainfall over south sea of Korean peninsula. In order to reduce excessive rainfalls during first 2 hours due to the reduced cycling interval, the data assimilation algorithm is optimized.

  5. Spontaneous dimerization, critical lines, and short-range correlations in a frustrated spin-1 chain

    NASA Astrophysics Data System (ADS)

    Chepiga, Natalia; Affleck, Ian; Mila, Frédéric

    2016-11-01

    We report on a detailed investigation of the spin-1 J1-J2-J3 Heisenberg model, a frustrated model with nearest-neighbor coupling J1, next-nearest neighbor coupling J2, and a three-site interaction J3[(Si -1.Si) (Si.Si +1) +H .c . ] previously studied in [Phys. Rev. B 93, 241108(R) (2016), 10.1103/PhysRevB.93.241108]. Using density matrix renormalization group (DMRG) and exact diagonalizations, we show that the phase boundaries between the Haldane phase, the next-nearest neighbor Haldane phase, and the dimerized phase can be very accurately determined by combining the information deduced from the dimerization, the ground-state energy, the entanglement spectrum and the Berry phase. By a careful investigation of the finite-size spectrum, we also show that the transition between the next-nearest neighbor Haldane phase and the dimerized phase is in the Ising universality class all along the critical line. Furthermore, we justify the conformal embedding of the SU (2) 2 Wess-Zumino-Witten conformal field theory in terms of a boson and an Ising field, and we explicitly derive a number of consequences of this embedding for the spectrum along the SU (2) 2 transition line between the Haldane phase and the dimerized phase. We also show that the solitons along the first-order transition line between the Haldane phase and the dimerized phase carry a spin-1/2, while the domain walls between different dimerization domains inside the dimerized phase carry a spin 1. Finally, we show that short-range correlations change character in the Haldane and dimerized phases through disorder and Lifshitz lines, as well as through the development of short-range dimer correlations in the Haldane phase, leading to a remarkably rich phase diagram.

  6. Multinucleon short-range correlation model for nuclear spectral functions: Theoretical framework

    NASA Astrophysics Data System (ADS)

    Artiles, Oswaldo; Sargsian, Misak M.

    2016-12-01

    We develop a theoretical approach for nuclear spectral functions at high missing momenta and removal energies based on the multinucleon short-range correlation (SRC) model. The approach is based on the effective Feynman diagrammatic method which allows us to account for the relativistic effects important in the SRC domain. In addition to two-nucleon (2N) SRC with center of mass motion we also derive the contribution of three-nucleon SRCs to the nuclear spectral functions. The latter is modeled based on the assumption that 3N SRCs are a product of two sequential short-range nucleon-nucleon (NN) interactions. This approach allows us to express the 3N SRC part of the nuclear spectral function as a convolution of two NN SRCs. Thus the knowledge of 2N SRCs allows us to model both two- and three-nucleon SRC contributions to the spectral function. The derivations of the spectral functions are based on two theoretical frameworks for evaluating covariant Feynman diagrams: In the first, referred to as virtual nucleon approximation, we reduce Feynman diagrams to the time ordered noncovariant diagrams by evaluating nucleon spectators in the SRC at their positive energy poles, neglecting explicitly the contribution from vacuum diagrams. In the second approach, referred to as light-front approximation, we formulate the boost invariant nuclear spectral function in the light-front reference frame in which case the vacuum diagrams are generally suppressed and the bound nucleon is described by its light-front variables such as momentum fraction, transverse momentum, and invariant mass.

  7. Long- and Short-Range Structure of Ferrimagnetic Iron-Chromium Maghemites.

    PubMed

    García-Guaderrama, Marco; Montero-Cabrera, María E; Morán, Emilio; Alario-Franco, Miguel A; Fuentes-Cobas, Luis E; Macías-Ríos, Edgar; Esparza-Ponce, Hilda E; Fuentes-Montero, María E

    2015-12-07

    Maghemite-like materials containing Fe(3+) and Cr(3+) in comparable amounts have been prepared by solution-combustion synthesis. The conditions of synthesis and the magnetic properties are described. These materials are ferrimagnetic and are much more stable than pure iron maghemite since their maghemite-hematite transformation takes place at about ∼ 700 °C instead of ∼ 300 °C, as usually reported. These materials were studied by synchrotron radiation X-ray diffraction (XRD) and by X-ray absorption fine structure (XAFS) of the K-absorption edge of two elements. High-resolution XRD patterns were processed by means of the Rietveld method. Thus, maghemites were studied by XAFS in both Fe and Cr K-edges to clarify the short-range structure of the investigated systems. Pre-edge decomposition and theoretical modeling of X-ray absorption near edge structure transitions were performed. The extended X-ray absorption fine structure (EXAFS) spectra were fitted considering the facts that the central atom of Fe is able to occupy octahedral and tetrahedral sites, each with a weight adjustment, while Cr occupies only octahedral sites. Interatomic distances were determined for x = 1, by fitting simultaneously both Fe and Cr K-edges average EXAFS spectra. The results showed that the cation vacancies tend to follow a regular pattern within the structure of the iron-chromium maghemite (FeCrO3).

  8. Pel promotes symmetric, short-ranged surface attachment in P. aeruginosa

    NASA Astrophysics Data System (ADS)

    Cooley, B. J.; Thatcher, Travis; Hashmi, Sara; L'Her, Guillaume; Touhami, Ahmed; Provenzano, Daniele; Gordon, Vernita

    2013-03-01

    Bacterial biofilms are surface mounted, multicellular communities of interacting bacteria that are often associated with chronic infections that resist antibiotics and damage host tissue. Bacteria in a biofilm are bound in a matrix of polymeric materials that adhere the bacteria to the surface, give the system spatial structure, and cluster the bacteria near each other. The opportunistic human pathogen Pseudomonas aeruginosa is widely studied as a model biofilm-forming organism. The polymeric matrix of P. aeruginosa strain PAO1 biofilms is dominated by two bacteria-produced extracellular polymers, Pel and Psl. We use both optical and atomic force microscopy to examine the roles of these polymers in very early biofilm development, in the hours after initial surface attachment. In agreement with other researchers, we find that Psl mediates strong attachment to a glass surface. Unexpectedly, we find that Pel promotes symmetric attachment, in the form of the rod-shaped bacteria lying flat on the surface, independently of permanent attachment to the surface. Further, the presence of Pel makes adhesion forces more short-ranged than they are with Psl alone. We suggest that these effects may result through synergistic interactions of Pel and Psl in the polymeric matrix.

  9. General Model for Treating Short-Range Electrostatic Penetration in a Molecular Mechanics Force Field.

    PubMed

    Wang, Qiantao; Rackers, Joshua A; He, Chenfeng; Qi, Rui; Narth, Christophe; Lagardere, Louis; Gresh, Nohad; Ponder, Jay W; Piquemal, Jean-Philip; Ren, Pengyu

    2015-06-09

    Classical molecular mechanics force fields typically model interatomic electrostatic interactions with point charges or multipole expansions, which can fail for atoms in close contact due to the lack of a description of penetration effects between their electron clouds. These short-range penetration effects can be significant and are essential for accurate modeling of intermolecular interactions. In this work we report parametrization of an empirical charge-charge function previously reported (Piquemal J.-P.; J. Phys. Chem. A2003, 107, 10353) to correct for the missing penetration term in standard molecular mechanics force fields. For this purpose, we have developed a database (S101×7) of 101 unique molecular dimers, each at 7 different intermolecular distances. Electrostatic, induction/polarization, repulsion, and dispersion energies, as well as the total interaction energy for each complex in the database are calculated using the SAPT2+ method (Parker T. M.; J. Chem. Phys.2014, 140, 094106). This empirical penetration model significantly improves agreement between point multipole and quantum mechanical electrostatic energies across the set of dimers and distances, while using only a limited set of parameters for each chemical element. Given the simplicity and effectiveness of the model, we expect the electrostatic penetration correction will become a standard component of future molecular mechanics force fields.

  10. Straightforward biodegradable nanoparticle generation through megahertz-order ultrasonic atomization

    NASA Astrophysics Data System (ADS)

    Forde, Gareth; Friend, James; Williamson, Tom

    2006-08-01

    Simple and reliable formation of biodegradable nanoparticles formed from poly-ɛ-caprolactone was achieved using 1.645MHz piston atomization of a source fluid of 0.5% w/v of the polymer dissolved in acetone; the particles were allowed to descend under gravity in air 8cm into a 1mM solution of sodium dodecyl sulfate. After centrifugation to remove surface agglomerations, a symmetric monodisperse distribution of particles ϕ 186nm (SD =5.7, n =6) was obtained with a yield of 65.2%.

  11. Study of the effect of short ranged ordering on the magnetism in FeCr alloys

    NASA Astrophysics Data System (ADS)

    Jena, Ambika Prasad; Sanyal, Biplab; Mookerjee, Abhijit

    2014-01-01

    For the study of magnetism in systems where the local environment plays an important role, we propose a marriage between the Monte Carlo simulation and Zunger's special quasi-random structures. We apply this technique on disordered FeCr alloys and show that our estimates of the transition temperature is in good agreement with earlier experiments.

  12. Short-range order in amorphous SiO{sub x} by x ray photoelectron spectroscopy

    SciTech Connect

    Novikov, Yu. N.; Gritsenko, V. A.

    2011-07-01

    The Si 2p x ray photoelectron spectra of SiO{sub x} with a different composition of 0 {<=} x {<=} 2 have been studied experimentally and theoretically. The SiO{sub x} films were prepared by low-pressure chemical vapor deposition from SiH{sub 4} and N{sub 2}O source at 750 deg. C. Neither random bonding nor random mixture models can adequately describe the structure of these compounds. The interpretation of the experimental results is discussed according to a large scale potential fluctuation due to the spatial variation of chemical composition in SiO{sub x}.

  13. Short-range order effect on resonance energy transfer in rigid solution

    NASA Astrophysics Data System (ADS)

    Bodunov, E. N.; Berberan-Santos, M. N.

    2004-05-01

    Resonance energy transfer by the Förster-Dexter mechanism in a rigid homogeneous medium is modeled using a hard-sphere fluid (HSF) radial distribution function. This distribution is more realistic than the commonly used uniform distribution with excluded volume (UDEV) function. For the dipole-dipole mechanism, both models yield essentially the same donor luminescence decay, except for small critical radii. For the exchange mechanism, however, the two models differ significantly. The HSF model displays a stronger "two-exponential" behavior. Also, to fit a given experimental decay, the UDEV model requires both a larger effective Bohr radius and a larger rate constant at collisional distance than the HSF model.

  14. Effect of Jahn-Teller distortion on the short range magnetic order in copper ferrite

    NASA Astrophysics Data System (ADS)

    Abdellatif, M. H.; Innocenti, Claudia; Liakos, Ioannis; Scarpellini, Alice; Marras, Sergio; Salerno, Marco

    2017-02-01

    Copper ferrite of spinel crystal structure was synthesized in the form of nano-particles using citrate-gel auto-combustion method. The sample morphology and composition were identified using scanning electron microscopy, X-ray diffraction, and X-ray spectroscopy. The latter technique reveals an inverse spinel structure with Jahn-Teller tetragonal distortion. The static magnetization was measured using vibrating sample magnetometer. Magnetic force microscopy was used in combination with the magnetization data to demonstrate the finite size effect of the magnetic spins and their casting behavior due to the introduction of copper ions in the tetrahedral magnetic sub-lattices, which results in tetragonal distorting the spinel structure of the copper ferrite. The magnetic properties of materials are a result of the collective behavior of the magnetic spins, and magnetic force microscopy can probe the collective behavior of the magnetic spins in copper ferrite, yet providing a sufficient resolution to map the effects below the micrometer size scale, such as the magnetic spin canting. A theoretical study was done to clarify the finite size effect of Jahn-Teller distortion on the magnetic properties of the material. When the particles are in the nano-scale, below the single domain size, their magnetic properties are very sensitive to their size change.

  15. Divacancies and the hydrogenation of Mg-Ti films with short range chemical order

    SciTech Connect

    Leegwater, H.; Schut, H.; Eijt, S. W. H.; Egger, W.; Baldi, A.; Dam, B.

    2010-03-22

    We obtained evidence for the partial chemical segregation of as-deposited and hydrogenated Mg{sub 1-y}Ti{sub y} films (0<=y<=0.30) into nanoscale Ti and Mg domains using positron Doppler-broadening. We exclusively monitor the hydrogenation of Mg domains, owing to the large difference in positron affinity for Mg and Ti. The electron momentum distribution broadens significantly upon transformation to the MgH{sub 2} phase over the whole compositional range. This reveals the similarity of the metal-insulator transition for rutile and fluorite MgH{sub 2}. Positron lifetime studies show the presence of divacancies in the as-deposited and hydrogenated Mg-Ti metal films. In conjunction with the relatively large local lattice relaxations we deduce to be present in fluorite MgH{sub 2}, these may be responsible for the fast hydrogen sorption kinetics in this MgH{sub 2} phase.

  16. Evidence for an unusual dynamical-arrest scenario in short-ranged colloidal systems

    NASA Astrophysics Data System (ADS)

    Foffi, G.; Dawson, K. A.; Buldyrev, S. V.; Sciortino, F.; Zaccarelli, E.; Tartaglia, P.

    2002-05-01

    Extensive molecular dynamics simulation studies of particles interacting via a short-ranged attractive square-well potential are reported. The calculated loci of constant diffusion coefficient D in the temperature-packing fraction plane show a reentrant behavior, i.e., an increase of diffusivity on cooling, confirming an important part of the high volume-fraction dynamical-arrest scenario earlier predicted by theory for particles with short-ranged potentials. The more efficient localization mechanism induced by the short-range bonding provides, on average, additional free volume as compared to the hard-sphere case and results in faster dynamics.

  17. Calculation of the Short-Range Longitudinal Wakefields in the NLC Linac

    SciTech Connect

    Bane, Karl LF

    1998-11-30

    Using two frequency domain and one time domain numerical approaches, we calculate the short-range longitudinal wakefield of the NLC linac accelerating structure, and find that the results agree to approximately 5%. We show that our results are consistent with an analytical formula for the impedance at high frequencies. We, in addition, obtain through fitting a simple formula for the short-range wakefield of a linac structure that can be useful in designing linear colliders. Finally, we demonstrate that for the NLC linac cavity the effects on the short-range wake of end conditions, tapering, and rounding of the irises are small.

  18. Effect of competing short-range attraction and long-range repulsion on the dynamics of globular particle suspensions

    NASA Astrophysics Data System (ADS)

    Riest, Jonas; Naegele, Gerhard

    2015-03-01

    The dynamic clustering of globular particle suspensions exhibiting competing short-range attraction and long-range repulsion such as protein solutions has gained a lot of interest in the last years. We investigate the influence of clustering on the phase behavior, and in particular on the dynamics of globular particle systems. To this end, we explore various pair potential models by a combination of static and dynamic analytic calculation methods in conjunction with Molecular Dynamics and Monte Carlo simulations. Our results show that the cluster peak (intermediate-range-order peak) is present also in the hydrodynamic function characterizing the short-time dynamics. Moreover, an enhanced short-range attraction leads to a larger sedimentation velocity and a smaller self-diffusion coefficient. Our results are useful also for technical applications, such as in the ultrafiltration of proteins.

  19. Short-range, overpressure-driven methane migration in coarse-grained gas hydrate reservoirs

    DOE PAGES

    Nole, Michael; Daigle, Hugh; Cook, Ann E.; ...

    2016-08-31

    Two methane migration mechanisms have been proposed for coarse-grained gas hydrate reservoirs: short-range diffusive gas migration and long-range advective fluid transport from depth. Herein we demonstrate that short-range fluid flow due to overpressure in marine sediments is a significant additional methane transport mechanism that allows hydrate to precipitate in large quantities in thick, coarse-grained hydrate reservoirs. Two-dimensional simulations demonstrate that this migration mechanism, short-range advective transport, can supply significant amounts of dissolved gas and is unencumbered by limitations of the other two end-member mechanisms. Here, short-range advective migration can increase the amount of methane delivered to sands as compared tomore » the slow process of diffusion, yet it is not necessarily limited by effective porosity reduction as is typical of updip advection from a deep source.« less

  20. Short-range, overpressure-driven methane migration in coarse-grained gas hydrate reservoirs

    NASA Astrophysics Data System (ADS)

    Nole, Michael; Daigle, Hugh; Cook, Ann E.; Malinverno, Alberto

    2016-09-01

    Two methane migration mechanisms have been proposed for coarse-grained gas hydrate reservoirs: short-range diffusive gas migration and long-range advective fluid transport from depth. Herein, we demonstrate that short-range fluid flow due to overpressure in marine sediments is a significant additional methane transport mechanism that allows hydrate to precipitate in large quantities in thick, coarse-grained hydrate reservoirs. Two-dimensional simulations demonstrate that this migration mechanism, short-range advective transport, can supply significant amounts of dissolved gas and is unencumbered by limitations of the other two end-member mechanisms. Short-range advective migration can increase the amount of methane delivered to sands as compared to the slow process of diffusion, yet it is not necessarily limited by effective porosity reduction as is typical of updip advection from a deep source.

  1. Short-range, overpressure-driven methane migration in coarse-grained gas hydrate reservoirs

    SciTech Connect

    Nole, Michael; Daigle, Hugh; Cook, Ann E.; Malinverno, Alberto

    2016-08-31

    Two methane migration mechanisms have been proposed for coarse-grained gas hydrate reservoirs: short-range diffusive gas migration and long-range advective fluid transport from depth. Herein we demonstrate that short-range fluid flow due to overpressure in marine sediments is a significant additional methane transport mechanism that allows hydrate to precipitate in large quantities in thick, coarse-grained hydrate reservoirs. Two-dimensional simulations demonstrate that this migration mechanism, short-range advective transport, can supply significant amounts of dissolved gas and is unencumbered by limitations of the other two end-member mechanisms. Here, short-range advective migration can increase the amount of methane delivered to sands as compared to the slow process of diffusion, yet it is not necessarily limited by effective porosity reduction as is typical of updip advection from a deep source.

  2. a Field-Theoretical Investigation of 2-D Coulomb Systems with Short-Range Yukawa Repulsion.

    NASA Astrophysics Data System (ADS)

    Jargocki, Krzysztof Piotr

    The two-dimensional Coulomb gas, consisting of positive and negative charges, is an important system which, on one hand, is equivalent to the vortex sector of the planar X-Y model, and, on the other, to the sine-Gordon field theory. In most treatments the charged particles are assumed to have a repulsive hard core which prevents arbitrarily close approaches. In the present work a new regularization scheme based on a soft short-range Yukawa repulsion between the Coulomb gas particles is presented. This formulation is transcribed into a local sine-Gordon-like field theory involving two Bose fields, one the original massless sine -Gordon field corresponding to the long-range Coulomb interaction and an auxiliary massive field corresponding to the short -range Yukawa repulsion. The resulting Lagrangian is not Hermitian. Using the techniques of functional integration, an effective field theory involving the Coulomb field alone is obtained by integrating out the massive field. The resulting Lagrangian is now Hermitian. Then a generalization of Peierls' inequality is used to make a variational calculation of the ground state energy of the Coulomb system. Unlike in the pure sine-Gordon case the theory has a well-defined ground state energy for (beta)q('2) > 2 (or (beta)c('2) > 8(pi)). A new method is used to derive the Kosterlitz -Thouless renormalization group equations, starting with the original sine-Gordon-like theory. The equations are identical to those found previously by other authors. A wave function renormalization is found to be necessary in addition to the normal ordering discussed by Coleman. A fermionized version of the theory is obtained, using the dictionary provided by Kogut and Susskind, which involves two Fermi fields and an electromagnetic potential. Position -space correlation functions are calculated at the critical point. The effective potential is computed in the one -loop approximation. A nonlinear field theory with derivative couplings is found to

  3. Second-order virial expansion for an atomic gas in a harmonic waveguide

    NASA Astrophysics Data System (ADS)

    Kristensen, Tom; Leyronas, Xavier; Pricoupenko, Ludovic

    2016-06-01

    The virial expansion for cold two-component Fermi and Bose atomic gases is considered in the presence of a waveguide and in the vicinity of a Feshbach resonance. The interaction between atoms and the coupling with the Feshbach molecules is modeled using a quantitative separable two-channel model. The scattering phase shift in an atomic waveguide is defined. This permits us to extend the Beth-Uhlenbeck formula for the second-order virial coefficient to this inhomogeneous case.

  4. Array rotation aperture synthesis for short-range imaging at millimeter wavelengths

    NASA Astrophysics Data System (ADS)

    Lucotte, B. M.; Grafulla-GonzáLez, B.; Harvey, A. R.

    2009-02-01

    Millimeter-wave interferometric synthetic aperture imagers are currently being developed for short-range applications such as concealed weapons detection. In contrast to the traditional snapshot imaging approach, we investigate the potential of mechanical scanning between the scene and the array in order to reduce the number of antennas and correlators. We assess the trade-off between this hardware reduction, the radiometric sensitivity and the imaging frame rate of the system. We show that rotational scanning achieves a more uniform coverage of the (u, v) plane than the more conventional linear scanning. We use a genetic algorithm to optimize two-dimensional arrays for maximum uniform (u, v) coverage after a rotational mechanical scan and demonstrates improvements in the array point spread function. Imaging performance is assessed with simulated millimeter-wave scenes. Results show an increased image quality is achieved with the optimized array compared with a conventional power law Y-shaped array. Finally we discuss the increased demands on system stability and calibration that the increased acquisition time of the proposed technique places.

  5. Acoustic communication in two freshwater gobies: ambient noise and short-range propagation in shallow streams.

    PubMed

    Lugli, M; Fine, M L

    2003-07-01

    Noise is an important theoretical constraint on the evolution of signal form and sensory performance. In order to determine environmental constraints on the communication of two freshwater gobies Padogobius martensii and Gobius nigricans, numerous noise spectra were measured from quiet areas and ones adjacent to waterfalls and rapids in two shallow stony streams. Propagation of goby sounds and waterfall noise was also measured. A quiet window around 100 Hz is present in many noise spectra from noisy locations. The window lies between two noise sources, a low-frequency one attributed to turbulence, and a high-frequency one (200-500 Hz) attributed to bubble noise from water breaking the surface. Ambient noise from a waterfall (frequencies below 1 kHz) attenuates as much as 30 dB between 1 and 2 m, after which values are variable without further attenuation (i.e., buried in the noise floor). Similarly, courtship sounds of P. martensii attenuate as much as 30 dB between 5 and 50 cm. Since gobies are known to court in noisy as well as quiet locations in these streams, their acoustic communication system (sounds and auditory system) must be able to cope with short-range propagation dictated by shallow depths and ambient noise in noisy locations.

  6. Effective short-range Coulomb correction to model the aggregation behavior of ionic surfactants

    NASA Astrophysics Data System (ADS)

    Burgos-Mármol, J. Javier; Solans, Conxita; Patti, Alessandro

    2016-06-01

    We present a short-range correction to the Coulomb potential to investigate the aggregation of amphiphilic molecules in aqueous solutions. The proposed modification allows to quantitatively reproduce the distribution of counterions above the critical micelle concentration (CMC) or, equivalently, the degree of ionization, α, of the micellar clusters. In particular, our theoretical framework has been applied to unveil the behavior of the cationic surfactant C24H49N2O2+ CH3SO4-, which offers a wide range of applications in the thriving and growing personal care market. A reliable and unambiguous estimation of α is essential to correctly understand many crucial features of the micellar solutions, such as their viscoelastic behavior and transport properties, in order to provide sound formulations for the above mentioned personal care solutions. We have validated our theory by performing extensive lattice Monte Carlo simulations, which show an excellent agreement with experimental observations. More specifically, our coarse-grained model is able to reproduce and predict the complex morphology of the micelles observed at equilibrium. Additionally, our simulation results disclose the existence of a transition from a monodisperse to a bidisperse size distribution of aggregates, unveiling the intriguing existence of a second CMC.

  7. Effective short-range Coulomb correction to model the aggregation behavior of ionic surfactants.

    PubMed

    Burgos-Mármol, J Javier; Solans, Conxita; Patti, Alessandro

    2016-06-21

    We present a short-range correction to the Coulomb potential to investigate the aggregation of amphiphilic molecules in aqueous solutions. The proposed modification allows to quantitatively reproduce the distribution of counterions above the critical micelle concentration (CMC) or, equivalently, the degree of ionization, α, of the micellar clusters. In particular, our theoretical framework has been applied to unveil the behavior of the cationic surfactant C24H49N2O2 (+) CH3SO4 (-), which offers a wide range of applications in the thriving and growing personal care market. A reliable and unambiguous estimation of α is essential to correctly understand many crucial features of the micellar solutions, such as their viscoelastic behavior and transport properties, in order to provide sound formulations for the above mentioned personal care solutions. We have validated our theory by performing extensive lattice Monte Carlo simulations, which show an excellent agreement with experimental observations. More specifically, our coarse-grained model is able to reproduce and predict the complex morphology of the micelles observed at equilibrium. Additionally, our simulation results disclose the existence of a transition from a monodisperse to a bidisperse size distribution of aggregates, unveiling the intriguing existence of a second CMC.

  8. Influence of short-range correlations in neutrino-nucleus scattering

    NASA Astrophysics Data System (ADS)

    Van Cuyck, T.; Jachowicz, N.; González-Jiménez, R.; Martini, M.; Pandey, V.; Ryckebusch, J.; Van Dessel, N.

    2016-08-01

    Background: Nuclear short-range correlations (SRCs) are corrections to mean-field wave functions connected with the short-distance behavior of the nucleon-nucleon interaction. These SRCs provide corrections to lepton-nucleus cross sections as computed in the impulse approximation (IA). Purpose: We want to investigate the influence of SRCs on the one-nucleon (1 N ) and two-nucleon (2 N ) knockout channels for muon-neutrino induced processes on a 12 target at energies relevant for contemporary measurements. Method: The model adopted in this work corrects the impulse approximation for SRCs by shifting the complexity induced by the SRCs from the wave functions to the operators. Due to the local character of the SRCs, it is argued that the expansion of these operators can be truncated at a low order. Results: The model is compared with electron-scattering data, and two-particle two-hole responses are presented for neutrino scattering. The contributions from the vector and axial-vector parts of the nuclear current as well as the central, tensor, and spin-isospin parts of the SRCs are studied. Conclusions: Nuclear SRCs affect the 1 N knockout channel and give rise to 2 N knockout. The exclusive neutrino-induced 2 N knockout cross section of SRC pairs is shown and the 2 N knockout contribution to the QE signal is calculated. The strength occurs as a broad background which extends into the dip region.

  9. Multi-Nucleon Short-Range Correlation Model for Nuclear Spectral Functions.

    NASA Astrophysics Data System (ADS)

    Artiles, Oswaldo; Sargsian, Misak

    2017-01-01

    We develop a theoretical model for nuclear spectral functions at high missing momenta and energies based on the multi-nucleon short-range correlation (SRC) model aimed at probing nuclear structure at short-distances. The model is based on the effective Feynman diagram method which allows us to account for the relativistic effects in the SRC domain. We derive the contribution of two-nucleon SRC with center of mass motion, and three-nucleon SRCs to the nuclear spectral functions. The spectral functions are based on two theoretical approaches in evaluating covariant Feynman diagrams: In the first, referred to as virtual nucleon approximation, we reduce Feynman diagrams to the time ordered non-covariant diagrams by evaluating nucleon spectators on the SRC at their positive energy poles, neglecting the contribution from vacuum diagrams. In the second approach, referred to as light-front approximation, we formulate the boost invariant nuclear spectral function on the light-front reference frame, on which the vacuum diagrams are suppressed. Numerical calculations and parametrization of spectral functions and momentum distributions are presented. This work is supported by U.S. Department of Energy grant under contract DE- FG02-01ER41172.

  10. Folding mechanism of a polymer chain with short-range attractions

    NASA Astrophysics Data System (ADS)

    Leitold, Christian; Dellago, Christoph

    2014-10-01

    We investigate the crystallization of a single, flexible homopolymer chain using transition path sampling. The chain consists of N identical spherical monomers evolved according to Langevin dynamics. While neighboring monomers are coupled via harmonic springs, the non-neighboring monomers interact via a hard core and a short-ranged attractive potential. For a sufficiently small interaction range λ, the system undergoes a first-order freezing transition from an expanded, disordered phase to a compact crystalline state. Using a new shooting move tailored to polymers combined with a committor analysis, we study the transition state ensemble of an N = 128 chain and search for possible reaction coordinates based on likelihood maximization. We find that typical transition states consist of a crystalline nucleus with one or more chain fragments attached to it. Furthermore, we show that the number of particles in the crystalline core is not well suited as a reaction coordinate. We then present an improved reaction coordinate, which includes information from the potential energy and the overall crystallinity of the polymer.

  11. Observations of clustering inside oceanic bubble clouds and the effect on short-range acoustic propagation.

    PubMed

    Weber, Thomas C

    2008-11-01

    It has recently been shown [Weber, T. C. et al. (2007). "Acoustic propagation through clustered bubble clouds," IEEE J. Ocean. Eng. 32, 513-523] that gas bubble clustering plays a role in determining the acoustic field characteristics of bubbly fluids. In particular, it has been shown that clustering changes the bubble-induced attenuation as well as the ping-to-ping variability in the acoustic field. The degree to which bubble clustering exists in nature, however, is unknown. This paper describes a method for quantifying bubble clustering using a high frequency (400 kHz) multibeam sonar, and reports on observations of near-surface bubble clustering during a storm (14.6 m/s wind speed) in the Gulf of Maine. The multibeam sonar data are analyzed to estimate the pair correlation function, a measure of bubble clustering. In order to account for clustering in the mean acoustic field, a modification to the effective medium wave number is made. With this modification, the multibeam sonar observations are used to predict the effect of clustering on the attenuation of the mean field for short-range propagation (1 m) at frequencies between 10 and 350 kHz. Results for this specific case show that clustering can cause the attenuation to change by 20%-80% over this frequency range.

  12. Constraints on lepton number violating short-range interactions from |ΔL| = 2 processes

    NASA Astrophysics Data System (ADS)

    Quintero, Néstor

    2017-01-01

    In this work we study the short-range contributions that induce effective lepton number violating (LNV) interactions. We obtain a full set of constraints on the effective short-range couplings from a large variety of low-energy | ΔL | = 2 processes of pseudoscalar mesons K , D ,Ds , B, and τ-lepton. These constraints provide complementary and additional information to the one obtained from the neutrinoless double-β (0 νββ) decay. As expected, the bounds on electron-electron short-range couplings are the only ones that are strongly constrained by the 0 νββ decay. Although weaker, LNV effective couplings with different flavors are not accessible to 0 νββ decay and these can be probe by the | ΔL | = 2 processes in consideration.

  13. Short-range/Long-range Integrated Target (SLIT) for Video Guidance Sensor Rendezvous and Docking

    NASA Technical Reports Server (NTRS)

    Roe, Fred D. (Inventor); Bryan, Thomas C. (Inventor)

    2009-01-01

    A laser target reflector assembly for mounting upon spacecraft having a long-range reflector array formed from a plurality of unfiltered light reflectors embedded in an array pattern upon a hemispherical reflector disposed upon a mounting plate. The reflector assembly also includes a short-range reflector array positioned upon the mounting body proximate to the long-range reflector array. The short-range reflector array includes three filtered light reflectors positioned upon extensions from the mounting body. The three filtered light reflectors retro-reflect substantially all incident light rays that are transmissive by their monochromatic filters and received by the three filtered light reflectors. In one embodiment the short-range reflector array is embedded within the hemispherical reflector,

  14. Atomic Ordering in InGaN Alloys within Nanowire Heterostructures.

    PubMed

    Woo, Steffi Y; Bugnet, Matthieu; Nguyen, Hieu P T; Mi, Zetian; Botton, Gianluigi A

    2015-10-14

    Ternary III-nitride based nanowires (NWs) are promising for optoelectronic applications by offering advantageous design and control over composition, structure, and strain. Atomic-level chemical ordering in wurtzite InGaN alloys along the c-plane direction with a 1:1 periodicity within InGaN/GaN NW heterostructures was investigated by scanning transmission electron microscopy. Atomic-number-sensitive imaging contrast was used to simultaneously assign the In-rich and Ga-rich planes and determine the crystal polarity to differentiate unique sublattice sites. The nonrandom occupation of the c-planes in the InGaN alloys is confirmed by the occurrence of additional superlattice spots in the diffraction pattern within the ternary alloy. Compositional modulations in the ordered InGaN was further studied using atomic-resolution elemental mapping, outlining the substantial In-enrichment. Confirming the preferential site occupation of In-atoms provides experimental validation for the previous theoretical model of ordered InGaN alloys in bulk epilayers based on differences in surface site energy. Therefore, this study strongly suggests that atomic ordering in InGaN has a surface energetics-induced origin. Optimization of atomic ordering, in particular in III-nitride NW heterostructures, could be an alternative design tool toward desirable structural and compositional properties for various device applications operating at longer visible wavelengths.

  15. Approximants of icosahedral quasicrystals: Atomic structure, inherent defects, and superstructural ordering

    SciTech Connect

    Dmitrienko, V. E. Chizhikov, V. A.

    2006-07-15

    The structural features of approximants of icosahedral and decagonal quasicrystals and new unusual approximants (rhombohedral AlPd and cubic Al{sub 68}Pd{sub 20}Ru{sub 12}) are considered. It is shown that most approximants can be described in terms of universal local ordering of atoms, in which the nearest neighbors of each atom occupy the vertices of an almost ideal dodecahedron: the so-called dodecahedral local ordering. A set of general atomic motifs in the approximants of different orders is found for quasicrystals of different types. It is shown that the dodecahedral local ordering can be easily described by the project method, in which the basis vectors directed along icosahedral threefold axes are used. Different types of defects inherent in dodecahedral local ordering are analyzed.

  16. Thermoreversible Gels Composed of Colloidal Silica Rods with Short-Range Attractions

    DOE PAGES

    Murphy, Ryan P.; Hong, Kunlun; Wagner, Norman J.

    2016-07-28

    Dynamic arrest transitions of colloidal suspensions containing non-spherical particles are of interest for the design and processing of various particle technologies. To better understand the effects of particle shape anisotropy and attraction strength on gel and glass formation, we present a colloidal model system of octadecyl-coated silica rods, termed as adhesive hard rods (AHR), which enables control of rod aspect ratio and temperature-dependent interactions. The aspect ratios of silica rods were controlled by varying the initial TEOS concentration following the work of Kuijk et al. (J. Am. Chem. Soc., 2011, 133, 2346–2349) and temperature-dependent attractions were introduced by coating themore » calcined silica rods with an octadecyl-brush and suspending in tetradecane. The rod length and aspect ratio were found to increase with TEOS concentration as expected, while other properties such as the rod diameter, coating coverage, density, and surface roughness were nearly independent of the aspect ratio. Ultra-small angle X-ray scattering measurements revealed temperature-dependent attractions between octadecyl-coated silica rods in tetradecane, as characterized by a low-q upturn in the scattered intensity upon thermal quenching. Lastly, the rheology of a concentrated AHR suspension in tetradecane demonstrated thermoreversible gelation behavior, displaying a nearly 5 orders of magnitude change in the dynamic moduli as the temperature was cycled between 15 and 40 °C. We find the adhesive hard rod model system serves as a tunable platform to explore the combined influence of particle shape anisotropy and attraction strength on the dynamic arrest transitions in colloidal suspensions with thermoreversible, short-range attractions.« less

  17. Thermoreversible Gels Composed of Colloidal Silica Rods with Short-Range Attractions

    SciTech Connect

    Murphy, Ryan P.; Hong, Kunlun; Wagner, Norman J.

    2016-07-28

    Dynamic arrest transitions of colloidal suspensions containing non-spherical particles are of interest for the design and processing of various particle technologies. To better understand the effects of particle shape anisotropy and attraction strength on gel and glass formation, we present a colloidal model system of octadecyl-coated silica rods, termed as adhesive hard rods (AHR), which enables control of rod aspect ratio and temperature-dependent interactions. The aspect ratios of silica rods were controlled by varying the initial TEOS concentration following the work of Kuijk et al. (J. Am. Chem. Soc., 2011, 133, 2346–2349) and temperature-dependent attractions were introduced by coating the calcined silica rods with an octadecyl-brush and suspending in tetradecane. The rod length and aspect ratio were found to increase with TEOS concentration as expected, while other properties such as the rod diameter, coating coverage, density, and surface roughness were nearly independent of the aspect ratio. Ultra-small angle X-ray scattering measurements revealed temperature-dependent attractions between octadecyl-coated silica rods in tetradecane, as characterized by a low-q upturn in the scattered intensity upon thermal quenching. Lastly, the rheology of a concentrated AHR suspension in tetradecane demonstrated thermoreversible gelation behavior, displaying a nearly 5 orders of magnitude change in the dynamic moduli as the temperature was cycled between 15 and 40 °C. We find the adhesive hard rod model system serves as a tunable platform to explore the combined influence of particle shape anisotropy and attraction strength on the dynamic arrest transitions in colloidal suspensions with thermoreversible, short-range attractions.

  18. Deciphering chemical order/disorder and material properties at the single-atom level

    DOE PAGES

    Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.; ...

    2017-02-01

    The properties and functionalities of materials are strongly influenced by the three-dimensional (3D) arrangements of atoms and defects. Correlating 3D atomic structure and chemical order/disorder with material properties is essential to understand microscopic mechanisms and engineer new materials. Here, we use iron-platinum nanoparticles as a model system to reveal chemical order/disorder and magnetic properties at the single-atom level. We also determined the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle with 22pm precision. We identified rich structural variety and chemical order/disorder including 3D grains with different compositions, orientations, anti-phase boundaries, anti-site point defects and swapmore » defects. We show for the first time that measured 3D atomic coordinates and chemical species with defects can be used as direct input for density functional theory calculations of material properties such as local magnetocrystalline anisotropy. This work not only opens the door to determining the 3D chemical order/disorder of a wide range of nanostructured materials with atomic resolution, but also promises to understand structure-property relationships at the most fundamental scale.« less

  19. A generalized Poisson equation and short-range self-interaction energies.

    PubMed

    Varganov, Sergey A; Gilbert, Andrew T B; Gill, Peter M W

    2008-06-28

    We generalize the Poisson equation to attenuated Newtonian potentials. If the attenuation is at least exponential, the equation provides a local mapping between the density and its potential. We use this to derive several density functionals for the short-range self-interaction energy.

  20. Future directions for probing two and three nucleon short-range correlations at high energies

    SciTech Connect

    Frankfurt, Leonid; Sargsian, Misak; Strikman, Mark

    2008-10-13

    We summarize recent progress in the studies of the short-rang correlations (SRC) in nuclei in high energy electron and hadron nucleus scattering and suggest directions for the future high energy studies aimed at establishing detailed structure of two-nucleon SRCs, revealing structure of three nucleon SRC correlations and discovering non-nucleonic degrees of freedom in nuclei.

  1. Short-range NN and N. Delta. correlations in pion double charge exchange (DCX)

    SciTech Connect

    Johnson, M.B.

    1990-01-01

    I will review several important results related to the short-range nucleon-nucleon and delta-nucleon interaction that have been obtained from recent studies of pion double charge exchange in selected nuclei. 32 refs., 5 figs., 3 tabs.

  2. Interaction of laser-cooled 87Rb atoms with higher order modes of an optical nanofibre

    NASA Astrophysics Data System (ADS)

    Kumar, Ravi; Gokhroo, Vandna; Deasy, Kieran; Maimaiti, Aili; Frawley, Mary C.; Phelan, Ciarán; Chormaic, Síle Nic

    2015-01-01

    Optical nanofibres are used to confine light to sub-wavelength regions and are very promising tools for the development of optical fibre-based quantum networks using cold, neutral atoms. To date, experimental studies on atoms near nanofibres have focussed on fundamental fibre mode interactions. In this work, we demonstrate the integration of a few-mode optical nanofibre into a magneto-optical trap for 87Rb atoms. The nanofibre, with a waist diameter of ∼700 nm, supports both the fundamental and first group of higher order modes (HOMs) and is used for atomic fluorescence and absorption studies. In general, light propagating in higher order fibre modes has a greater evanescent field extension around the waist in comparison with the fundamental mode. By exploiting this behaviour, we demonstrate that the detected signal of fluorescent photons emitted from a cloud of cold atoms centred at the nanofibre waist is larger if HOMs are also included. In particular, the signal from HOMs appears to be about six times larger than that obtained for the fundamental mode. Absorption of on-resonance, HOM probe light by the laser-cooled atoms is also observed. These advances should facilitate the realization of atom trapping schemes based on HOM interference.

  3. Temperature-modulated annealing of c-plane sapphire for long-range-ordered atomic steps

    NASA Astrophysics Data System (ADS)

    Yatsui, Takashi; Kuribara, Kazunori; Sekitani, Tsuyoshi; Someya, Takao; Yoshimoto, Mamoru

    2016-03-01

    High-quality single-crystalline sapphire is used to prepare various semiconductors because of its thermal stability. Here, we applied the tempering technique, which is well known in the production of chocolate, to prepare a sapphire substrate. Surprisingly, we successfully realised millimetre-range ordering of the atomic step of the sapphire substrate. We also obtained a sapphire atomic step with nanometre-scale uniformity in the terrace width and atomic-step height. Such sapphire substrates will find applications in the preparation of various semiconductors and devices.

  4. Scanning Transmission Electron Microscopy Using Selective High-Order Laue Zones: Three-Dimensional Atomic Ordering in Sodium Cobaltate

    NASA Astrophysics Data System (ADS)

    Huang, F.-T.; Gloter, A.; Chu, M.-W.; Chou, F. C.; Shu, G. J.; Liu, L.-K.; Chen, C. H.; Colliex, C.

    2010-09-01

    A new scanning transmission electron microscopy (STEM) imaging technique using high-order Laue zones (named HOLZ-STEM), a diffraction contrast which has been strenuously avoided or minimized in traditional STEM imaging, can be used to obtain the additional 1D periodic information along the electron propagation axis without sacrificing atomic resolution in the lateral (2D) dimension. HOLZ-STEM has been demonstrated to resolve the 3D long-range Na ordering of Na0.71CoO2. Direct evidence of spiral-like Na-trimer chains twisting along the c axis is unambiguously established in real space.

  5. Deciphering chemical order/disorder and material properties at the single-atom level

    NASA Astrophysics Data System (ADS)

    Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R. C.; Sabirianov, Renat F.; Zeng, Hao; Ercius, Peter; Miao, Jianwei

    2017-02-01

    Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.

  6. Deciphering chemical order/disorder and material properties at the single-atom level.

    PubMed

    Yang, Yongsoo; Chen, Chien-Chun; Scott, M C; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R C; Sabirianov, Renat F; Zeng, Hao; Ercius, Peter; Miao, Jianwei

    2017-02-01

    Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling 'real' materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure-property relationships at the fundamental level.

  7. Atomic Ordering Enhanced Electrocatalytic Activity of Nanoalloys for Oxygen Reduction Reaction

    SciTech Connect

    Loukrakpam, Rameshwori; Shan, Shiyao; Petkov, Valeri; Yang, Lefu; Luo, Jin; Zhong, Chuan-Jian

    2013-10-01

    For oxygen reduction reaction (ORR) over alloy electrocatalysts, the understanding of how the atomic arrangement of the metal species in the nanocatalysts is responsible for the catalytic enhancement is challenging for achieving better design and tailoring of nanoalloy catalysts. This paper reports results of an investigation of the atomic structures and the electrocatalytic activities of ternary and binary nanoalloys, aiming at revealing a fundamental insight into the unique atomic-scale structure-electrocatalytic activity relationship. PtIrCo catalyst and its binary counterparts (PtCo and PtIr) are chosen as a model system for this study. The effect of thermochemical treatment temperature on the atomic-scale structure of the catalysts was examined as a useful probe to the structure-activity correlation. The structural characterization of the binary and ternary nanoalloy catalysts was performed by combining surface sensitive techniques such as XPS and 3D atomic ordering sensitive techniques such as high-energy X-ray diffraction (HE-XRD) coupled to atomic pair distribution function (PDF) analysis (HE-XRD/PDFs) and computer simulations. The results show that the thermal treatment temperature tunes the nanoalloy’s atomic and chemical ordering in a different way depending on the chemical composition, leading to differences in the nanoalloy’s mass and specific activities. A unique structural tunability of the atomic ordering in a platinum-iridium-cobalt nanoalloy has been revealed for enhancing greatly the electrocatalytic activity toward oxygen reduction reaction, which has significant implication for rational design and nanoengineering of advanced catalysts for electrochemical energy conversion and storage.

  8. Simulating superradiance from higher-order-intensity-correlation measurements: Single atoms

    NASA Astrophysics Data System (ADS)

    Wiegner, R.; Oppel, S.; Bhatti, D.; von Zanthier, J.; Agarwal, G. S.

    2015-09-01

    Superradiance typically requires preparation of atoms in highly entangled multiparticle states, the so-called Dicke states. In this paper we discuss an alternative route where we prepare such states from initially uncorrelated atoms by a measurement process. By measuring higher-order intensity-intensity correlations we demonstrate that we can simulate the emission characteristics of Dicke superradiance by starting with atoms in the fully excited state. We describe the essence of the scheme by first investigating two excited atoms. Here we demonstrate how via Hanbury Brown and Twiss type of measurements we can produce Dicke superradiance and subradiance displayed commonly with two atoms in the single excited symmetric and antisymmetric Dicke states, respectively. We thereafter generalize the scheme to arbitrary numbers of atoms and detectors, and explain in detail the mechanism which leads to this result. The approach shows that the Hanbury Brown and Twiss type of intensity interference and the phenomenon of Dicke superradiance can be regarded as two sides of the same coin. We also present a compact result for the characteristic functional which generates all order intensity-intensity correlations.

  9. Effects of Quantum Fluctuations and Short-Ranged Spin Correlations on the Magnetic Phase transitions in insulating vanadium oxide

    NASA Astrophysics Data System (ADS)

    de Silva, Theja; Ma, Michael; Zhang, Fu-Chun

    2002-03-01

    We study the magnetic phase transition of insulating vanadium oxide using the recently proposed S=2 bond model (1). In this model, the anomalous spin ordering of V_2O3 (RS) is due to a coupling of spin-spin correlations to orbitals. It was shown using single-site mean field theory (SSMFT) that the model also explains the unusual phase transition properities qualitatively (2). We use a modified MF approach to study the effects of quantum fluctuations and short range spin correlations which were neglected in the SSMFT calculation. The key results are i) Similar to SSMFT, at T=0, the ground state undergoes a transition from conventional antiferromagnetic (AS) ordering to ferro-orbital RS (FORS) ordering as the strength of the spin-orbital is increased relative to the bare spin-spin coupling. However, fluctuations tend to stabilize the FORS phase relative to the AS phase. ii) In contrast to SSMFT, which gave a weak first order transition, the paramagnetic to FORS transition is strongly first order. iii) The system can first become AS as T is lowered and then undergoes a second transition into either the FORS phase or a FO phase with short-ranged RS correlations. The last case corresponds to an orbital driven spin-Peirels transition. 1. F.Mila,R.Shiina,F.C.Zhang,A.Joshi,M.Ma,V.Anisimov, and T.M.Rice,Phys,Rev,Lett,85,1714(2000) 2. A.Joshi,M.Ma,and F.C.Zhang,Phys,Rev,Lett,86,5743(2001)

  10. Atomic-Resolution Kinked Structure of an Alkylporphyrin on Highly Ordered Pyrolytic Graphite.

    PubMed

    Chin, Yiing; Panduwinata, Dwi; Sintic, Maxine; Sum, Tze Jing; Hush, Noel S; Crossley, Maxwell J; Reimers, Jeffrey R

    2011-01-20

    The atomic structure of the chains of an alkyl porphyrin (5,10,15,20-tetranonadecylporphyrin) self-assembled monolayer (SAM) at the solid/liquid interface of highly ordered pyrolytic graphite (HOPG) and 1-phenyloctane is resolved using calibrated scanning tunneling microscopy (STM), density functional theory (DFT) image simulations, and ONIOM-based geometry optimizations. While atomic structures are often readily determined for porphyrin SAMs, the determination of the structure of alkyl-chain connections has not previously been possible. A graphical calibration procedure is introduced, allowing accurate observation of SAM lattice parameters, and, of the many possible atomic structures modeled, only the lowest-energy structure obtained was found to predict the observed lattice parameters and image topography. Hydrogen atoms are shown to provide the conduit for the tunneling current through the alkyl chains.

  11. Short-range Ising spin glasses: The metastate interpretation of replica symmetry breaking

    NASA Astrophysics Data System (ADS)

    Read, N.

    2014-09-01

    Parisi's formal replica-symmetry-breaking (RSB) scheme for mean-field spin glasses has long been interpreted in terms of many pure states organized ultrametrically. However, the early version of this interpretation, as applied to the short-range Edwards-Anderson model, runs into problems because as shown by Newman and Stein (NS) it does not allow for chaotic size dependence, and predicts non-self-averaging that cannot occur. NS proposed the concept of the metastate (a probability distribution over infinite-size Gibbs states in a given sample that captures the effects of chaotic size dependence) and a nonstandard interpretation of the RSB results in which the metastate is nontrivial and is responsible for what was called non-self-averaging. In this picture, each state drawn from the metastate has the ultrametric properties of the old theory, but when the state is averaged using the metastate, the resulting mixed state has little structure. This picture was constructed so as to agree both with the earlier RSB results and with rigorous results. Here we use the effective field theory of RSB, in conjunction with the rigorous definitions of pure states and the metastate in infinite-size systems, to show that the nonstandard picture follows directly from the RSB mean-field theory. In addition, the metastate-averaged state possesses power-law correlations throughout the low-temperature phase; the corresponding exponent ζ takes the value 4 according to the field theory in high dimensions d, and describes the effective fractal dimension of clusters of spins. Further, the logarithm of the number of pure states in the decomposition of the metastate-averaged state that can be distinguished if only correlations in a window of size W can be observed is of order Wd -ζ. These results extend the nonstandard picture quantitatively; we show that arguments against this scenario are inconclusive. More generally, in terms of Parisi's function q (x), if q(0)≠∫01dxq(x ), then the

  12. Short-range photoassociation from the inner wall of the lowest triplet potential of 85Rb2

    NASA Astrophysics Data System (ADS)

    Carollo, R. A.; Carini, J. L.; Eyler, E. E.; Gould, P. L.; Stwalley, W. C.

    2016-10-01

    Ultracold photoassociation is typically performed at large internuclear separations, where the scattering wavefunction amplitude is large and Franck-Condon overlap is maximized. Recently, work by this group and others on alkali-metal diatomics has shown that photoassociation can efficiently form molecules at short internuclear distance in both homonuclear and heteronuclear dimers. We propose that this short-range photoassociation is due to excitation near the wavefunction amplitude maximum at the inner wall of the lowest triplet potential. We show that Franck-Condon factors (FCFs) from the highest-energy bound state can almost precisely reproduce FCFs from a low-energy scattering state, and that both calculations match experimental data from the near-zero positive-energy scattering state with reasonable accuracy. We also show that the corresponding photoassociation from the inner wall of the ground-state singlet potential at much shorter internuclear distance is weaker and undetectable under our current experimental conditions. We predict from FCFs that the strongest of these weaker short-range photoassociation transitions are one order of magnitude below our current sensitivity.

  13. Short-Range Noncontact Sensors for Healthcare and Other Emerging Applications: A Review

    PubMed Central

    Gu, Changzhan

    2016-01-01

    Short-range noncontact sensors are capable of remotely detecting the precise movements of the subjects or wirelessly estimating the distance from the sensor to the subject. They find wide applications in our day lives such as noncontact vital sign detection of heart beat and respiration, sleep monitoring, occupancy sensing, and gesture sensing. In recent years, short-range noncontact sensors are attracting more and more efforts from both academia and industry due to their vast applications. Compared to other radar architectures such as pulse radar and frequency-modulated continuous-wave (FMCW) radar, Doppler radar is gaining more popularity in terms of system integration and low-power operation. This paper reviews the recent technical advances in Doppler radars for healthcare applications, including system hardware improvement, digital signal processing, and chip integration. This paper also discusses the hybrid FMCW-interferometry radars and the emerging applications and the future trends. PMID:27472330

  14. Enhanced sensitivity to Lorentz invariance violations in short-range gravity experiments

    NASA Astrophysics Data System (ADS)

    Shao, Cheng-Gang; Chen, Ya-Fen; Tan, Yu-Jie; Luo, Jun; Yang, Shan-Qing; Tobar, Michael Edmund

    2016-11-01

    Recently, first limits on putative Lorentz invariance violation coefficients in the pure gravity sector were determined by the reanalysis of short-range gravity experiments. Such experiments search for new physics at sidereal frequencies. They are not, however, designed to optimize the signal strength of a Lorentz invariance violation force; in fact the Lorentz violating signal is suppressed in the planar test mass geometry employed in those experiments. We describe a short-range torsion pendulum experiment with enhanced sensitivity to possible Lorentz violating signals. A periodic, striped test mass geometry is used to augment the signal. Careful arrangement of the phases of the striped patterns on opposite ends of the pendulum further enhances the signal while simultaneously suppressing the Newtonian background.

  15. Towards numerically accurate many-body perturbation theory: Short-range correlation effects

    SciTech Connect

    Gulans, Andris

    2014-10-28

    The example of the uniform electron gas is used for showing that the short-range electron correlation is difficult to handle numerically, while it noticeably contributes to the self-energy. Nonetheless, in condensed-matter applications studied with advanced methods, such as the GW and random-phase approximations, it is common to neglect contributions due to high-momentum (large q) transfers. Then, the short-range correlation is poorly described, which leads to inaccurate correlation energies and quasiparticle spectra. To circumvent this problem, an accurate extrapolation scheme is proposed. It is based on an analytical derivation for the uniform electron gas presented in this paper, and it provides an explanation why accurate GW quasiparticle spectra are easy to obtain for some compounds and very difficult for others.

  16. Short Range Wireless Power Transfer (WPT) for UAV/UAS Battery Charging - Phase 1

    DTIC Science & Technology

    2014-12-01

    SUPPLEMENTARY NOTES 14. ABSTRACT The inductive and radiative approaches to wireless power transmission (WPT) were simulated using commercial...software. For the inductive approach, working at 100 kHz, efficiencies over 90% were obtained at short ranges (less than 30 mm) utilizing ferrite...place between a WPT ground station and client. 15. SUBJECT TERMS Wireless power transmission, phased array, inductive WPT, radiative WPT 16

  17. Neutrino-Nucleus Interactions and the Short-Range Structure of Nuclei

    SciTech Connect

    Cavanna, F.; Palamara, O.; Schiavilla, R.; Soderberg, M.; Wiringa, R. B.

    2015-01-08

    Improvements in theoretical modeling of Short Range structures and phenomena, and comparisons with data, will require sustained collaboration between nuclear theorists and neutrino experimentalists. The extensive history of studying this area of nuclear physics in electron- and hadron-scattering experiments, coupled with the transformative capabilities of LArTPCs to identify neutrinos, will provide a ripe opportunity for new discoveries that will further our understanding of the nucleus.

  18. Beam divergence changing mechanism for short-range inter-unmanned aerial vehicle optical communications.

    PubMed

    Heng, Kiang Huat; Zhong, Wen-De; Cheng, Tee Hiang; Liu, Ning; He, Yingjie

    2009-03-10

    The problems associated with using a single fixed beam divergence for short-range inter-unmanned aerial vehicle free-space optical communications are discussed. To overcome the problems, a beam divergence changing mechanism is proposed. Four different methods are then proposed to implement the beam divergence changing mechanism. The performance of these methods is evaluated in terms of transmission distance under adverse weather conditions. The results show that the performance is greatly improved when the beam divergence changing mechanism is used.

  19. Short-Range Guiding Can Result in the Formation of Circular Aggregates in Myxobacteria Populations

    PubMed Central

    Janulevicius, Albertas; van Loosdrecht, Mark; Picioreanu, Cristian

    2015-01-01

    Myxobacteria are social bacteria that upon starvation form multicellular fruiting bodies whose shape in different species can range from simple mounds to elaborate tree-like structures. The formation of fruiting bodies is a result of collective cell movement on a solid surface. In the course of development, groups of flexible rod-shaped cells form streams and move in circular or spiral patterns to form aggregation centers that can become sites of fruiting body formation. The mechanisms of such cell movement patterns are not well understood. It has been suggested that myxobacterial development depends on short-range contact-mediated interactions between individual cells, i.e. cell aggregation does not require long-range signaling in the population. In this study, by means of a computational mass-spring model, we investigate what types of short-range interactions between cells can result in the formation of streams and circular aggregates during myxobacterial development. We consider short-range head-to-tail guiding between individual cells, whereby movement direction of the head of one cell is affected by the nearby presence of the tail of another cell. We demonstrate that stable streams and circular aggregates can arise only when the trailing cell, in addition to being steered by the tail of the leading cell, is able to speed up to catch up with it. It is suggested that necessary head-to-tail interactions between cells can arise from physical adhesion, response to a diffusible substance or slime extruded by cells, or pulling by motility engine pili. Finally, we consider a case of long-range guiding between cells and show that circular aggregates are able to form without cells increasing speed. These findings present a possibility to discriminate between short-range and long-range guiding mechanisms in myxobacteria by experimentally measuring distribution of cell speeds in circular aggregates. PMID:25928112

  20. Analyses of kinetic glass transition in short-range attractive colloids based on time-convolutionless mode-coupling theory

    NASA Astrophysics Data System (ADS)

    Narumi, Takayuki; Tokuyama, Michio

    2017-03-01

    For short-range attractive colloids, the phase diagram of the kinetic glass transition is studied by time-convolutionless mode-coupling theory (TMCT). Using numerical calculations, TMCT is shown to recover all the remarkable features predicted by the mode-coupling theory for attractive colloids: the glass-liquid-glass reentrant, the glass-glass transition, and the higher-order singularities. It is also demonstrated through the comparisons with the results of molecular dynamics for the binary attractive colloids that TMCT improves the critical values of the volume fraction. In addition, a schematic model of three control parameters is investigated analytically. It is thus confirmed that TMCT can describe the glass-glass transition and higher-order singularities even in such a schematic model.

  1. A short-range optical wireless transmission method based on LED

    NASA Astrophysics Data System (ADS)

    Miao, Meiyuan; Chen, Ailin; Zhu, Mingxing; Li, Ping; Gao, Yingming; Zou, Nianyu

    2016-10-01

    As to electromagnetic wave interfere and only one to one transmission problem of Bluetooth, a short-range LED optical wireless transmission method is proposed to be complementary technology in this paper. Furthermore achieved image transmission through this method. The system makes C52 to be the mater controller, transmitter got data from terminals by USB and sends modulated signals with LED. Optical signal is detected by PD, through amplified, filtered with shaping wave from, and demodulated on receiver. Then send to terminals like PC and reverted back to original image. Analysis the performance from peak power and average power, power consumption of transmitter, relationship of bit error rate and modulation mode, and influence of ambient light, respectively. The results shows that image can be received accurately which uses this method. The most distant transmission distance can get to 1m with transmitter LED source of 1w, and the transfer rate is 14.4Kbit/s with OOK modulation mode on stabilization system, the ambient light effect little to LED transmission system in normal light environment. The method is a convenient to carry LED wireless short range transmission for mobile transmission equipment as a supplement of Bluetooth short-range transmission for its ISM band interfere, and the analysis method in this paper can be a reference for other similar systems. It also proves the system is feasibility for next study.

  2. 77 FR 24538 - Fukushima-Related Orders Modifying Licenses; Establishment of Atomic Safety and Licensing Board

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-24

    ... From the Federal Register Online via the Government Publishing Office NUCLEAR REGULATORY COMMISSION Fukushima-Related Orders Modifying Licenses; Establishment of Atomic Safety and Licensing Board Pursuant to delegation by the Commission dated December 29, 1972, published in the Federal Register, 37...

  3. Study of local atomic order in amorphous materials in a computerized transmission electron microscope.

    PubMed

    Balossier, G; Garg, R K; Bonhomme, P; Thomas, X

    1989-03-01

    Experimental results obtained by electron diffraction (ED) and extended electron energy loss fine structure (EXELFS) techniques to study the local atomic order in amorphous materials such as carbon, silicon, and its oxides are described. Potential applications of ED and EXELFS techniques and their limitations are also discussed.

  4. Resolving all-order method convergence problems for atomic physics applications

    SciTech Connect

    Gharibnejad, H.; Derevianko, A.; Eliav, E.; Safronova, M. S.

    2011-05-15

    The development of the relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Hartree-Fock wave function are included to all orders of perturbation theory led to many important results for the study of fundamental symmetries, development of atomic clocks, ultracold atom physics, and others, as well as provided recommended values of many atomic properties critically evaluated for their accuracy for a large number of monovalent systems. This approach requires iterative solutions of the linearized coupled-cluster equations leading to convergence issues in some cases where correlation corrections are particularly large or lead to an oscillating pattern. Moreover, these issues also lead to similar problems in the configuration-interaction (CI)+all-order method for many-particle systems. In this work, we have resolved most of the known convergence problems by applying two different convergence stabilizer methods, namely, reduced linear equation and direct inversion of iterative subspace. Examples are presented for B, Al, Zn{sup +}, and Yb{sup +}. Solving these convergence problems greatly expands the number of atomic species that can be treated with the all-order methods and is anticipated to facilitate many interesting future applications.

  5. Ordered many-electron motions in atoms and x-ray lasers. [Subpicosecond ultraviolet laser radiation

    SciTech Connect

    Rhodes, C.K.

    1986-01-01

    Subpicosecond ultraviolet laser technology is enabling the exploration of nonlinear atomic interactions with electric field strengths considerably in excess of an atomic unit. As this regime is approached, experiments studying multiple ionization, photoelectron energy spectra, and harmonically produced radiation all exhibit strong nonlinear coupling. Peak total energy transfer rates on the order of approx.2 x 10/sup -4/ W/atom have been observed at an intensity of approx.10/sup 16/ W/cm/sup 2/, and it is expected that energy transfer rates approaching approx.0.1 to 1 W/atom will occur under more extreme conditions for which the ultraviolet electric field E is significantly greater than e/a/sub 0//sup 2/. In this high intensity regime, a wide range of new nonlinear phenomena will be open to study. These will include the possibility of ordered driven motions in atoms, molecules, and plasmas, mechanisms involving collisions, and relativistic processes such as electron-positron pair production. An understanding of these physical interactions may provide a basis for the generation of stimulated emission in the x-ray range. 100 refs., 8 figs.

  6. An x-ray setup to investigate the atomic order of confined liquids in slit geometry

    SciTech Connect

    Lippmann, M.; Ehnes, A.; Seeck, O. H.

    2014-01-15

    A setup has been designed to investigate thin films of confined liquids with the use of X-ray scattering methods. The confinement is realized between the flat culets of a pair of diamonds by positioning and orienting the lower diamond with nanometer and micro radian accuracy. We routinely achieve gaps between 5 and 50 nm at culet diameters of 200 μm. With this setup and a micro focused X-ray beam we have investigated the in-plane and the out-off-plane atomic order of benzene with atomic resolution.

  7. An x-ray setup to investigate the atomic order of confined liquids in slit geometry.

    PubMed

    Lippmann, M; Ehnes, A; Seeck, O H

    2014-01-01

    A setup has been designed to investigate thin films of confined liquids with the use of X-ray scattering methods. The confinement is realized between the flat culets of a pair of diamonds by positioning and orienting the lower diamond with nanometer and micro radian accuracy. We routinely achieve gaps between 5 and 50 nm at culet diameters of 200 μm. With this setup and a micro focused X-ray beam we have investigated the in-plane and the out-off-plane atomic order of benzene with atomic resolution.

  8. Higher-order spin-noise spectroscopy of atomic spins in fluctuating external fields

    SciTech Connect

    Li, Fuxiang; Crooker, S. A.; Sinitsyn, N. A.

    2016-03-09

    Here, we discuss the effect of external noisy magnetic fields on mesoscopic spin fluctuations that can be probed in semiconductors and atomic vapors by means of optical spin-noise spectroscopy. We also show that conventional arguments of the law of large numbers do not apply to spin correlations induced by external fields, namely, the magnitude of the 4th-order spin cumulant grows as ~N2 with the number N of observed spins, i.e., it is not suppressed in comparison to the 2nd-order cumulant. Moreover, this allows us to design a simple experiment to measure the 4th-order cumulant of spin fluctuations in an atomic system near thermodynamic equilibrium and develop a quantitative theory that explains all observations.

  9. Superlattice effects induced by atomic ordering on GaxIn1-xP Raman modes

    NASA Astrophysics Data System (ADS)

    Hassine, A.; Sapriel, J.; Le Berre, P.; di Forte-Poisson, M. A.; Alexandre, F.; Quillec, M.

    1996-07-01

    A polarized Raman scattering study is undertaken in order to investigate the atomic ordering in (001)-oriented Ga0.51In0.49P layers lattice matched to GaAs and preliminarily characterized by photoluminescence. The superlattice structure of trigonal symmetry which results from ordering manifests itself through phonon mode modifications. Several new modes are detected and their frequency and intensity behaviors are properly analyzed. In addition to the folded longitudinal-acoustic mode on Raman spectra, we observed the folded transverse-acoustic mode. Both folded acoustic modes display narrow lines (~10 cm-1) superposed to the disorder-induced acoustic bands DALA and DATA of the alloy. In the ``optical mode'' frequency range one clearly observes a doubling of the longitudinal GaP-type and InP-type modes, never reported before to our knowledge. The magnitude of the splitting between the two components of the LO doublet is measured precisely in the case of GaP-type modes and is an increasing function of the atomic ordering degree. So it is with intensities of the TO modes which become Raman active due to the trigonal symmetry. Finally the ``valley depth'' which had been empirically assigned as a significant parameter of the atomic ordering degree, is now precisely interpreted in the light of the whole Raman study.

  10. Confinement-induced orbital breathing, fusion, fission and re-ordering in semifilled shell atoms

    NASA Astrophysics Data System (ADS)

    Dolmatov, V. K.

    2013-05-01

    Alternate contraction and drastic expansion, i.e., ‘breathing’ of electronic subshells, the effects of the fusion of two subshells into one subshell and its subsequent fission (splitting) into the original subshells, as well as multiple alteration of the order of subshells in confined semifilled shell atoms with a progressively narrowing confinement are theoretically discovered. The confinement is represented by a repulsive penetrable spherical potential of an inner radius r0. The effects are exemplified by calculated data for confined semifilled shell atoms from the second, third and fourth rows of Mendeleev's table—Li, N, P and Cr atoms with semifilled 2s1, 2p3, 3p3 and 3d5 subshells, respectively—for the completeness of the study. The underlying physics behind the discovered effects is explained.

  11. Nuclear matrix element of neutrinoless double-β decay: Relativity and short-range correlations

    NASA Astrophysics Data System (ADS)

    Song, L. S.; Yao, J. M.; Ring, P.; Meng, J.

    2017-02-01

    Background:The discovery of neutrinoless double-β (0 ν β β ) decay would demonstrate the nature of neutrinos, have profound implications for our understanding of matter-antimatter mystery, and solve the mass hierarchy problem of neutrinos. The calculations for the nuclear matrix elements M0 ν of 0 ν β β decay are crucial for the interpretation of this process. Purpose: We study the effects of relativity and nucleon-nucleon short-range correlations on the nuclear matrix elements M0 ν by assuming the mechanism of exchanging light or heavy neutrinos for the 0 ν β β decay. Methods:The nuclear matrix elements M0 ν are calculated within the framework of covariant density functional theory, where the beyond-mean-field correlations are included in the nuclear wave functions by configuration mixing of both angular-momentum and particle-number projected quadrupole deformed mean-field states. Results: The nuclear matrix elements M0 ν are obtained for ten 0 ν β β -decay candidate nuclei. The impact of relativity is illustrated by adopting relativistic or nonrelativistic decay operators. The effects of short-range correlations are evaluated. Conclusions: The effects of relativity and short-range correlations play an important role in the mechanism of exchanging heavy neutrinos though the influences are marginal for light neutrinos. Combining the nuclear matrix elements M0 ν with the observed lower limits on the 0 ν β β -decay half-lives, the predicted strongest limits on the effective masses are ||<0.06 eV for light neutrinos and | |-1>3.065 ×108GeV for heavy neutrinos.

  12. Hybrid-Mode-Assisted Long-Distance Excitation of Short-Range Surface Plasmons in a Nanotip-Enhanced Step-Index Fiber.

    PubMed

    Tuniz, Alessandro; Chemnitz, Mario; Dellith, Jan; Weidlich, Stefan; Schmidt, Markus A

    2017-02-08

    We propose and experimentally demonstrate a monolithic nanowire-enhanced fiber-based nanoprobe for the broadband delivery of light (550-730 nm) to a deep subwavelength scale using short-range surface plasmons. The geometry is formed by a step index fiber with an integrated gold nanowire in its core and a protruding gold nanotip with sub-10 nm apex radius. We present a novel coupling scheme to excite short-range surface plasmons, whereby the radially polarized hybrid mode propagating inside the nanowire section excites the plasmonic mode close to the fiber endface, which is in turn superfocused down to nanoscale dimensions at the tip apex. We show that in this all-integrated fiber-plasmonic coupling scheme the wire length can be orders of magnitude longer than the attenuation length of short-range plasmon polaritons, yielding a broadband plasmon excitation and reducing demands in fabrication. We observe that the scattered light in the far-field from the nanotip is axially polarized and preferentially excited by a radially polarized input, unambiguously revealing that it originates from a short-range plasmon propagating on the nanotip, in agreement with simulations. This novel excitation scheme will have important applications in near-field microscopy and nanophotonics and potentially offers significantly improved resolution compared to current delivery near-field probes.

  13. High-order-harmonic generation from Rydberg atoms driven by plasmon-enhanced laser fields

    NASA Astrophysics Data System (ADS)

    Tikman, Y.; Yavuz, I.; Ciappina, M. F.; Chacón, A.; Altun, Z.; Lewenstein, M.

    2016-02-01

    We theoretically investigate high-order-harmonic generation (HHG) in Rydberg atoms driven by spatially inhomogeneous laser fields, induced, for instance, by plasmonic enhancement. It is well known that the laser intensity should exceed a certain threshold in order to stimulate HHG when noble gas atoms in their ground state are used as an active medium. One way to enhance the coherent light coming from a conventional laser oscillator is to take advantage of the amplification obtained by the so-called surface plasmon polaritons, created when a low-intensity laser field is focused onto a metallic nanostructure. The main limitation of this scheme is the low damage threshold of the materials employed in the nanostructure engineering. In this work we propose the use of Rydberg atoms, driven by spatially inhomogeneous, plasmon-enhanced laser fields, for HHG. We exhaustively discuss the behavior and efficiency of these systems in the generation of coherent harmonic emission. Toward this aim we numerically solve the time-dependent Schrödinger equation for an atom, with an electron initially in a highly excited n th Rydberg state, located in the vicinity of a metallic nanostructure. In this zone the electric field changes spatially on scales relevant for the dynamics of the laser-ionized electron. We first use a one-dimensional model to investigate systematically the phenomena. We then employ a more realistic situation, in which the interaction of a plasmon-enhanced laser field with a three-dimensional hydrogen atom is modeled. We discuss the scaling of the relevant input parameters with the principal quantum number n of the Rydberg state in question and demonstrate that harmonic emission can be achieved from Rydberg atoms well below the damage threshold, thus without deterioration of the geometry and properties of the metallic nanostructure.

  14. Thermodynamic Identities and Symmetry Breaking in Short-Range Spin Glasses.

    PubMed

    Arguin, L-P; Newman, C M; Stein, D L

    2015-10-30

    We present a technique to generate relations connecting pure state weights, overlaps, and correlation functions in short-range spin glasses. These are obtained directly from the unperturbed Hamiltonian and hold for general coupling distributions. All are satisfied in phases with simple thermodynamic structure, such as the droplet-scaling and chaotic pairs pictures. If instead nontrivial mixed-state pictures hold, the relations suggest that replica symmetry is broken as described by a Derrida-Ruelle cascade, with pure state weights distributed as a Poisson-Dirichlet process.

  15. Thermodynamic Identities and Symmetry Breaking in Short-Range Spin Glasses

    NASA Astrophysics Data System (ADS)

    Arguin, L.-P.; Newman, C. M.; Stein, D. L.

    2015-10-01

    We present a technique to generate relations connecting pure state weights, overlaps, and correlation functions in short-range spin glasses. These are obtained directly from the unperturbed Hamiltonian and hold for general coupling distributions. All are satisfied in phases with simple thermodynamic structure, such as the droplet-scaling and chaotic pairs pictures. If instead nontrivial mixed-state pictures hold, the relations suggest that replica symmetry is broken as described by a Derrida-Ruelle cascade, with pure state weights distributed as a Poisson-Dirichlet process.

  16. Interplay between spinodal decomposition and glass formation in proteins exhibiting short-range attractions.

    PubMed

    Cardinaux, Frédéric; Gibaud, Thomas; Stradner, Anna; Schurtenberger, Peter

    2007-09-14

    We investigate the competition between spinodal decomposition and dynamical arrest using aqueous solutions of the globular protein lysozyme as a model system for colloids with short-range attractions. We show that quenches below a temperature Ta lead to gel formation as a result of a local arrest of the protein-dense phase during spinodal decomposition. The rheological properties of these gels allow us to use centrifugation experiments to determine the local densities of both phases and to precisely locate the gel boundary and the attractive glass line close to and within the unstable region of the phase diagram.

  17. Short Range Correlations in Nuclei at Large xbj through Inclusive Quasi-Elastic Electron Scattering

    SciTech Connect

    Ye, Zhihong

    2013-12-01

    The experiment, E08-014, in Hall-A at Jefferson Lab aims to study the short-range correlations (SRC) which are necessary to explain the nuclear strength absent in the mean field theory. The cross sections for 2H, 3He, 4He, 12C, 40Ca and 48Ca, were measured via inclusive quasi-elastic electron scattering from these nuclei in a Q2 range between 0.8 and 2.8 (GeV/c)2 for x>1. The cross section ratios of heavy nuclei to 2H were extracted to study two-nucleon SRC for 1

  18. Vapor-liquid surface tension of strong short-range Yukawa fluid.

    PubMed

    Odriozola, G; Bárcenas, M; Orea, P

    2011-04-21

    The thermodynamic properties of strong short-range attractive Yukawa fluids, κ = 10, 9, 8, and 7, are determined by combining the slab technique with the standard and the replica exchange Monte Carlo (REMC) methods. A good agreement was found among the coexistence curves of these systems calculated by REMC and those previously reported in the literature. However, REMC allows exploring the coexistence at lower temperatures, where dynamics turns glassy. To obtain the surface tension we employed, for both methods, a procedure that yields the pressure tensor components for discontinuous potentials. The surface tension results obtained by the standard MC and REMC techniques are in good agreement.

  19. Short range laser obstacle detector. [for surface vehicles using laser diode array

    NASA Technical Reports Server (NTRS)

    Kuriger, W. L. (Inventor)

    1973-01-01

    A short range obstacle detector for surface vehicles is described which utilizes an array of laser diodes. The diodes operate one at a time, with one diode for each adjacent azimuth sector. A vibrating mirror a short distance above the surface provides continuous scanning in elevation for all azimuth sectors. A diode laser is synchronized with the vibrating mirror to enable one diode laser to be fired, by pulses from a clock pulse source, a number of times during each elevation scan cycle. The time for a given pulse of light to be reflected from an obstacle and received is detected as a measure of range to the obstacle.

  20. Management challenges in a short-range low-velocity gunshot injury

    PubMed Central

    Arunkumar, K. V.; Kumar, Sanjeev; Aggarwal, Rajat; Dubey, Prajesh

    2012-01-01

    The use of firearms is becoming more prevalent in the society and hence the number of homicidal and suicidal cases. The severity of gunshot wounds varies depending on the weapons caliber and the distance of firing. Close-range, high-velocity gunshot wounds in the head and neck region can result in devastating esthetic and functional impairment. The complexity in facial skeletal anatomy cause multiple medical and surgical challenges to an operating surgeon, demanding elaborate soft and hard tissue reconstructions. Here we present the successful management of a patient shot by a low-velocity short-range pistol with basic life support measures, wound management, reconstruction, and rehabilitation. PMID:23482828

  1. Management challenges in a short-range low-velocity gunshot injury.

    PubMed

    Arunkumar, K V; Kumar, Sanjeev; Aggarwal, Rajat; Dubey, Prajesh

    2012-07-01

    The use of firearms is becoming more prevalent in the society and hence the number of homicidal and suicidal cases. The severity of gunshot wounds varies depending on the weapons caliber and the distance of firing. Close-range, high-velocity gunshot wounds in the head and neck region can result in devastating esthetic and functional impairment. The complexity in facial skeletal anatomy cause multiple medical and surgical challenges to an operating surgeon, demanding elaborate soft and hard tissue reconstructions. Here we present the successful management of a patient shot by a low-velocity short-range pistol with basic life support measures, wound management, reconstruction, and rehabilitation.

  2. Short range ferromagnetic, magneto-electric, and magneto-dielectric effect in ceramic Co{sub 3}TeO{sub 6}

    SciTech Connect

    Singh, Harishchandra E-mail: singh85harish@rrcat.gov.in; Ghosh, Haranath; Chandrasekhar Rao, T. V.; Sharma, G.; Saha, J.; Patnaik, S.

    2016-01-28

    We report observation of magneto-electric and magneto-dielectric couplings along with short range ferromagnetic order in ceramic Cobalt Tellurate (Co{sub 3}TeO{sub 6}, CTO) using magnetic, structural, dielectric, pyroelectric, and polarization studies. DC magnetization along with dielectric constant measurements indicate a coupling between magnetic order and electrical polarization. A strong anomaly in the dielectric constant at ∼17.4 K in zero magnetic field indicates spontaneous electric polarization, consistent with a recent neutron diffraction study. Observation of weak short range ferromagnetic order at lower temperatures is attributed to the Griffiths-like ferromagnetism. Furthermore, magnetic field dependence of the ferroelectric transition follows earlier theoretical predictions, applicable to single crystal CTO. Finally, combined dielectric, pyroelectric, and polarization measurements suggest that the ground state of CTO may possess spontaneous symmetry breaking in the absence of magnetic field.

  3. Short-range optical air data measurements for aircraft control using rotational Raman backscatter.

    PubMed

    Fraczek, Michael; Behrendt, Andreas; Schmitt, Nikolaus

    2013-07-15

    A first laboratory prototype of a novel concept for a short-range optical air data system for aircraft control and safety was built. The measurement methodology was introduced in [Appl. Opt. 51, 148 (2012)] and is based on techniques known from lidar detecting elastic and Raman backscatter from air. A wide range of flight-critical parameters, such as air temperature, molecular number density and pressure can be measured as well as data on atmospheric particles and humidity can be collected. In this paper, the experimental measurement performance achieved with the first laboratory prototype using 532 nm laser radiation of a pulse energy of 118 mJ is presented. Systematic measurement errors and statistical measurement uncertainties are quantified separately. The typical systematic temperature, density and pressure measurement errors obtained from the mean of 1000 averaged signal pulses are small amounting to < 0.22 K, < 0.36% and < 0.31%, respectively, for measurements at air pressures varying from 200 hPa to 950 hPa but constant air temperature of 298.95 K. The systematic measurement errors at air temperatures varying from 238 K to 308 K but constant air pressure of 946 hPa are even smaller and < 0.05 K, < 0.07% and < 0.06%, respectively. A focus is put on the system performance at different virtual flight altitudes as a function of the laser pulse energy. The virtual flight altitudes are precisely generated with a custom-made atmospheric simulation chamber system. In this context, minimum laser pulse energies and pulse numbers are experimentally determined, which are required using the measurement system, in order to meet measurement error demands for temperature and pressure specified in aviation standards. The aviation error margins limit the allowable temperature errors to 1.5 K for all measurement altitudes and the pressure errors to 0.1% for 0 m and 0.5% for 13000 m. With regard to 100-pulse-averaged temperature measurements, the pulse energy using 532 nm

  4. Strained lattice with persistent atomic order in Pt3Fe2 intermetallic core-shell nanocatalysts.

    PubMed

    Prabhudev, Sagar; Bugnet, Matthieu; Bock, Christina; Botton, Gianluigi A

    2013-07-23

    Fine-tuning nanocatalysts to enhance their catalytic activity and durability is crucial to commercialize proton exchange membrane fuel cells. The structural ordering and time evolution of ordered Pt3Fe2 intermetallic core-shell nanocatalysts for the oxygen reduction reaction that exhibit increased mass activity (228%) and an enhanced catalytic activity (155%) compared to Pt/C has been quantified using aberration-corrected scanning transmission electron microscopy. These catalysts were found to exhibit a static core-dynamic shell regime wherein, despite treating over 10,000 cycles, there is negligible decrease (9%) in catalytic activity and the ordered Pt3Fe2 core remained virtually intact while the Pt shell suffered a continuous enrichment. The existence of this regime was further confirmed by X-ray diffraction and the compositional analyses using energy-dispersive spectroscopy. With atomic-scale two-dimensional (2-D) surface relaxation mapping, we demonstrate that the Pt atoms on the surface are slightly relaxed with respect to bulk. The cycled nanocatalysts were found to exhibit a greater surface relaxation compared to noncycled catalysts. With 2-D lattice strain mapping, we show that the particle was about -3% strained with respect to pure Pt. While the observed enhancement in their activity is ascribed to such a strained lattice, our findings on the degradation kinetics establish that their extended catalytic durability is attributable to a sustained atomic order.

  5. Nonclassicality in an atom-molecule Bose-Einstein condensate: Higher-order squeezing, antibunching and entanglement

    NASA Astrophysics Data System (ADS)

    Giri, Sandip Kumar; Thapliyal, Kishore; Sen, Biswajit; Pathak, Anirban

    2017-01-01

    The transient quantum statistical properties of the atoms and molecules in an atom-molecule BEC system are investigated by obtaining a third-order perturbative solution of the Heisenberg's equations of motion corresponding to the Hamiltonian of the system, where two atoms can collide to form a molecule. Time dependent quantities, like two boson correlation, entanglement, squeezing, antibunching, etc., are computed, and their properties are compared. It is established that the atom-molecule BEC system is highly nonclassical as lower-order and higher-order squeezing and antibunching in pure (atomic and molecular) modes, squeezing and antibunching in compound mode, and lower-order and higher-order entanglement in compound mode can be observed in the atom-molecule BEC system. Exact numerical results are also reported and the analytic results obtained using the perturbative technique are shown to agree with the exact numerical results.

  6. Ordering actions for visibility. [distributed computing based on idea of atomic actions operating on data

    NASA Technical Reports Server (NTRS)

    Mckendry, M. S.

    1985-01-01

    The notion of 'atomic actions' has been considered in recent work on data integrity and reliability. It has been found that the standard database operations of 'read' and 'write' carry with them severe performance limitations. For this reason, systems are now being designed in which actions operate on 'objects' through operations with more-or-less arbitrary semantics. An object (i.e., an instance of an abstract data type) comprises data, a set of operations (procedures) to manipulate the data, and a set of invariants. An 'action' is a unit of work. It appears to be primitive to its surrounding environment, and 'atomic' to other actions. Attention is given to the conventional model of nested actions, ordering requirements, the maximum possible visibility (full visibility) for items which must be controlled by ordering constraints, item management paradigms, and requirements for blocking mechanisms which provide the required visibility.

  7. Magnetic order in a frustrated two-dimensional atom lattice at a semiconductor surface.

    PubMed

    Li, Gang; Höpfner, Philipp; Schäfer, Jörg; Blumenstein, Christian; Meyer, Sebastian; Bostwick, Aaron; Rotenberg, Eli; Claessen, Ralph; Hanke, Werner

    2013-01-01

    Two-dimensional electron systems, as exploited for device applications, can lose their conducting properties because of local Coulomb repulsion, leading to a Mott-insulating state. In triangular geometries, any concomitant antiferromagnetic spin ordering can be prevented by geometric frustration, spurring speculations about 'melted' phases, known as spin liquid. Here we show that for a realization of a triangular electron system by epitaxial atom adsorption on a semiconductor, such spin disorder, however, does not appear. Our study compares the electron excitation spectra obtained from theoretical simulations of the correlated electron lattice with data from high-resolution photoemission. We find that an unusual row-wise antiferromagnetic spin alignment occurs that is reflected in the photoemission spectra as characteristic 'shadow bands' induced by the spin pattern. The magnetic order in a frustrated lattice of otherwise non-magnetic components emerges from longer-range electron hopping between the atoms. This finding can offer new ways of controlling magnetism on surfaces.

  8. Passive FOG IMU for short-range missile application: from qualification toward series production

    NASA Astrophysics Data System (ADS)

    Trommer, Gert F.; Mueller, R.; Opitz, S.

    1996-11-01

    An inertial measurement unit (IMU) with angular rate, angular increment and linear acceleration measurement systems for short range missile application is described. It consists of a three axis fiber optic gyroscope (FOG) cluster, three linear vibrating beam accelerometers and an electronics device for signal evaluation and data transmission via a serial transputer link. The FOG cluster is realized by means of a passive all-fiber open loop configuration. Due to the inherent optical phase shift of 3 by 3 couplers, completely passive operation near the quadrature point is achieved without the need for a non- reciprocal optical phase modulation in the fiber loop. Basing on that concept more than 50 rugged IMUs have been built for implementation into a short range air to air missile. Verification tests for flight clearance with stresses simulating air carriage and missile free flight environments have been computed. The operation under extreme vibration and shock environments without the use of vibration isolator fixings due to very tight requirements on data time delay has been demonstrated. The first telemetered missile firings have been performed successfully. The line- setup for large quantity series production is progressing. The implementation of the workstations for the integration of the IMU is finished. The production equipment for calibration and acceptance testing of IMUs in parallel allowing for a rate of more than 150 unit per month has been installed and will be operational in autumn this year.

  9. Gelation and glass transition of particles with short-range attraction induced by adsorbing microgel

    NASA Astrophysics Data System (ADS)

    Yuan, Guangcui; Luo, Junhua; Han, Charles C.

    2015-03-01

    Mixed suspensions of large hard polystyrene microsphere and small poly(N-isopropylacrylamide) microgel is used as model systems to investigate the static and viscoelastic properties of suspensions which go through liquid to gel and to glass transitions. The microgels cause short-range attraction between microspheres through bridging and depletion mechanism whose strength can be tuned by the microgel concentration. Baxter's sticky hard-sphere model is used to extract the effective inter-microsphere interaction introduced by bridging or depletion of microgels despite the fact that the physical mechanisms of bridging attraction and depletion attraction are different at a molecular level. A new state diagram of gelation and even of glass transition was constructed by taking the bridges as a short-ranged attractive interaction With the help of the well-defined bridging bonds, some controversies regarding to the interference between two origins for ergodic to\\ non-ergodic transition in condensed system, i.e. cage effect and bond effect, were clarified. This work is supported by the National Basic Research Program of China (973 Program, 2012CB821503).

  10. Aggregation of heteropolyanions in aqueous solutions exhibiting short-range attractions and long-range repulsions

    DOE PAGES

    Bera, Mrinal K.; Qiao, Baofu; Seifert, Soenke; ...

    2015-12-15

    Charged colloids and proteins in aqueous solutions interact via short-range attractions and long-range repulsions (SALR) and exhibit complex structural phases. These include homogeneously dispersed monomers, percolated monomers, clusters, and percolated clusters. We report the structural architectures of simple charged systems in the form of spherical, Keggin-type heteropolyanions (HPAs) by small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations. Structure factors obtained from the SAXS measurements show that the HPAs interact via SALR. Concentration and temperature dependences of the structure factors for HPAs with –3e (e is the charge of an electron) charge are consistent with a mixture of nonassociated monomersmore » and associated randomly percolated monomers, whereas those for HPAs with –4e and –5e charges exhibit only nonassociated monomers in aqueous solutions. Our experiments show that the increase in magnitude of the charge of the HPAs increases their repulsive interactions and inhibits their aggregation in aqueous solutions. MD simulations were done to reveal the atomistic scale origins of SALR between HPAs. As a result, the short-range attractions result from water or proton-mediated hydrogen bonds between neighboring HPAs, whereas the long-range repulsions are due to the distributions of ions surrounding the HPAs.« less

  11. Aggregation of heteropolyanions in aqueous solutions exhibiting short-range attractions and long-range repulsions

    SciTech Connect

    Bera, Mrinal K.; Qiao, Baofu; Seifert, Soenke; Burton-Pye, Benjamin P.; Monica Olvera de la Cruz; Antonio, Mark R.

    2015-12-15

    Charged colloids and proteins in aqueous solutions interact via short-range attractions and long-range repulsions (SALR) and exhibit complex structural phases. These include homogeneously dispersed monomers, percolated monomers, clusters, and percolated clusters. We report the structural architectures of simple charged systems in the form of spherical, Keggin-type heteropolyanions (HPAs) by small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations. Structure factors obtained from the SAXS measurements show that the HPAs interact via SALR. Concentration and temperature dependences of the structure factors for HPAs with –3e (e is the charge of an electron) charge are consistent with a mixture of nonassociated monomers and associated randomly percolated monomers, whereas those for HPAs with –4e and –5e charges exhibit only nonassociated monomers in aqueous solutions. Our experiments show that the increase in magnitude of the charge of the HPAs increases their repulsive interactions and inhibits their aggregation in aqueous solutions. MD simulations were done to reveal the atomistic scale origins of SALR between HPAs. As a result, the short-range attractions result from water or proton-mediated hydrogen bonds between neighboring HPAs, whereas the long-range repulsions are due to the distributions of ions surrounding the HPAs.

  12. Universal relationships for the phonon spectra in BCC, FCC, and HCP crystals with a short-range interatomic interaction

    SciTech Connect

    Vaks, V. G. Zhuravlev, I. A.; Zabolotskii, A. D.

    2012-03-15

    The frequencies of the phonon branches that correspond to the vibrations of the close-packed atomic planes in bcc, fcc, and hcp crystals with short-range interatomic interaction are shown to be described by a universal relationship, which only contains two parameters for each branch, for any polarization {lambda}. These phonon branches correspond to the ({xi}, {xi}, 0) direction in bcc crystals, the ({xi}, {xi}, {xi}) direction in fcc crystals, and the (0, 0, {xi}) direction in hcp crystals. This universal relationship can only be violated by long-range interactions, namely, the interactions outside the sixth coordination shell in a bcc crystal, the fifth coordination shell in an fcc crystal, and the eleventh or tenth coordination shell in an hcp crystal. The effect of these long-range interactions for each phonon branch can be quantitatively characterized by certain parameters {Delta}{sub n{lambda}}, which are simply expressed in terms of the frequencies of three phonons of the branch. The values of these parameters are presented for all bcc, fcc, and hcp metals whose phonon spectra are measured. In most cases, the proposed relationships for the frequencies are found to be fulfilled accurate to several percent. In the cases where the {Delta}{sub n{lambda}} parameters are not small, they can give substantial information on the type and scale of long-range interaction effects in various metals.

  13. Short range shooting distance estimation using variable pressure SEM images of the surroundings of bullet holes in textiles.

    PubMed

    Hinrichs, Ruth; Frank, Paulo Ricardo Ost; Vasconcellos, M A Z

    2017-03-01

    Modifications of cotton and polyester textiles due to shots fired at short range were analyzed with a variable pressure scanning electron microscope (VP-SEM). Different mechanisms of fiber rupture as a function of fiber type and shooting distance were detected, namely fusing, melting, scorching, and mechanical breakage. To estimate the firing distance, the approximately exponential decay of GSR coverage as a function of radial distance from the entrance hole was determined from image analysis, instead of relying on chemical analysis with EDX, which is problematic in the VP-SEM. A set of backscattered electron images, with sufficient magnification to discriminate micrometer wide GSR particles, was acquired at different radial distances from the entrance hole. The atomic number contrast between the GSR particles and the organic fibers allowed to find a robust procedure to segment the micrographs into binary images, in which the white pixel count was attributed to GSR coverage. The decrease of the white pixel count followed an exponential decay, and it was found that the reciprocal of the decay constant, obtained from the least-square fitting of the coverage data, showed a linear dependence on the shooting distance.

  14. Coherent cluster atomic ordering in the Fe-27Al intermetallic compound

    NASA Astrophysics Data System (ADS)

    Balagurov, A. M.; Bobrikov, I. A.; Mukhametuly, B.; Sumnikov, S. V.; Golovin, I. S.

    2016-10-01

    Neutron diffraction studies of the Fe0.735Al0.265 compound are performed in a wide temperature range (20-900°C) in order to determine its structural states and the mechanism of ordering of atoms. The combination of high-resolution diffraction and the real-time detection of diffraction spectra makes it possible to establish that, in contrast to traditional notions, the structure of this compound at room temperature is a phase with only a partially ordered arrangement of Fe and Al in a unit cell. A completely ordered phase (such as Fe3Al) is present in the form of mesoscopic ( 200Å) clusters coherently incorporated into the disordered matrix of the main phase. After the transition of the sample to a disordered state ( T> 740°C) and slow cooling to room temperature, the size of structurally ordered clusters increases to 900 Å. A high contrast in the coherent neutron scattering lengths of iron and gallium nuclei allows the accurate determination of the temperature dependence of the occupancy factors of sites by Fe and Al atoms up to a phase transition to the disordered state.

  15. Controlled Phase and Tunable Magnetism in Ordered Iron Oxide Nanotube Arrays Prepared by Atomic Layer Deposition.

    PubMed

    Zhang, Yijun; Liu, Ming; Peng, Bin; Zhou, Ziyao; Chen, Xing; Yang, Shu-Ming; Jiang, Zhuang-De; Zhang, Jie; Ren, Wei; Ye, Zuo-Guang

    2016-01-27

    Highly-ordered and conformal iron oxide nanotube arrays on an atomic scale are successfully prepared by atomic layer deposition (ALD) with controlled oxidization states and tunable magnetic properties between superparamagnetism and ferrimagnetism. Non-magnetic α-Fe2O3 and superparamagnetic Fe3O4 with a blocking temperature of 120 K are in-situ obtained by finely controlling the oxidation reaction. Both of them exhibit a very small grain size of only several nanometers due to the nature of atom-by-atom growth of the ALD technique. Post-annealing α-Fe2O3 in a reducing atmosphere leads to the formation of the spinel Fe3O4 phase which displays a distinct ferrimagnetic anisotropy and the Verwey metal-insulator transition that usually takes place only in single crystal magnetite or thick epitaxial films at low temperatures. The ALD deposition of iron oxide with well-controlled phase and tunable magnetism demonstrated in this work provides a promising opportunity for the fabrication of 3D nano-devices to be used in catalysis, spintronics, microelectronics, data storages and bio-applications.

  16. Controlled Phase and Tunable Magnetism in Ordered Iron Oxide Nanotube Arrays Prepared by Atomic Layer Deposition

    NASA Astrophysics Data System (ADS)

    Zhang, Yijun; Liu, Ming; Peng, Bin; Zhou, Ziyao; Chen, Xing; Yang, Shu-Ming; Jiang, Zhuang-De; Zhang, Jie; Ren, Wei; Ye, Zuo-Guang

    2016-01-01

    Highly-ordered and conformal iron oxide nanotube arrays on an atomic scale are successfully prepared by atomic layer deposition (ALD) with controlled oxidization states and tunable magnetic properties between superparamagnetism and ferrimagnetism. Non-magnetic α-Fe2O3 and superparamagnetic Fe3O4 with a blocking temperature of 120 K are in-situ obtained by finely controlling the oxidation reaction. Both of them exhibit a very small grain size of only several nanometers due to the nature of atom-by-atom growth of the ALD technique. Post-annealing α-Fe2O3 in a reducing atmosphere leads to the formation of the spinel Fe3O4 phase which displays a distinct ferrimagnetic anisotropy and the Verwey metal-insulator transition that usually takes place only in single crystal magnetite or thick epitaxial films at low temperatures. The ALD deposition of iron oxide with well-controlled phase and tunable magnetism demonstrated in this work provides a promising opportunity for the fabrication of 3D nano-devices to be used in catalysis, spintronics, microelectronics, data storages and bio-applications.

  17. Controlled Phase and Tunable Magnetism in Ordered Iron Oxide Nanotube Arrays Prepared by Atomic Layer Deposition

    DOE PAGES

    Zhang, Yijun; Liu, Ming; Peng, Bin; ...

    2016-01-27

    Highly-ordered and conformal iron oxide nanotube arrays on an atomic scale are successfully prepared by atomic layer deposition (ALD) with controlled oxidization states and tunable magnetic properties between superparamagnetism and ferrimagnetism. Non-magnetic α-Fe2O3 and superparamagnetic Fe2O3with a blocking temperature of 120 K are in-situ obtained by finely controlling the oxidation reaction. Both of them exhibit a very small grain size of only several nanometers due to the nature of atom-by-atom growth of the ALD technique. Post-annealing α-Fe2O3 in a reducing atmosphere leads to the formation of the spinel Fe3O4 phase which displays a distinct ferrimagnetic anisotropy and the Verwey metal-insulatormore » transition that usually takes place only in single crystal magnetite or thick epitaxial films at low temperatures. Finally, the ALD deposition of iron oxide with well-controlled phase and tunable magnetism demonstrated in this work provides a promising opportunity for the fabrication of 3D nano-devices to be used in catalysis, spintronics, microelectronics, data storages and bio-applications.« less

  18. Controlled Phase and Tunable Magnetism in Ordered Iron Oxide Nanotube Arrays Prepared by Atomic Layer Deposition

    SciTech Connect

    Zhang, Yijun; Liu, Ming; Peng, Bin; Zhou, Ziyao; Chen, Xing; Yang, Shu-Ming; Jiang, Zhuang-De; Zhang, Jie; Ren, Wei; Ye, Zuo-Guang

    2016-01-27

    Highly-ordered and conformal iron oxide nanotube arrays on an atomic scale are successfully prepared by atomic layer deposition (ALD) with controlled oxidization states and tunable magnetic properties between superparamagnetism and ferrimagnetism. Non-magnetic α-Fe2O3 and superparamagnetic Fe2O3with a blocking temperature of 120 K are in-situ obtained by finely controlling the oxidation reaction. Both of them exhibit a very small grain size of only several nanometers due to the nature of atom-by-atom growth of the ALD technique. Post-annealing α-Fe2O3 in a reducing atmosphere leads to the formation of the spinel Fe3O4 phase which displays a distinct ferrimagnetic anisotropy and the Verwey metal-insulator transition that usually takes place only in single crystal magnetite or thick epitaxial films at low temperatures. Finally, the ALD deposition of iron oxide with well-controlled phase and tunable magnetism demonstrated in this work provides a promising opportunity for the fabrication of 3D nano-devices to be used in catalysis, spintronics, microelectronics, data storages and bio-applications.

  19. Controlled Phase and Tunable Magnetism in Ordered Iron Oxide Nanotube Arrays Prepared by Atomic Layer Deposition

    PubMed Central

    Zhang, Yijun; Liu, Ming; Peng, Bin; Zhou, Ziyao; Chen, Xing; Yang, Shu-Ming; Jiang, Zhuang-De; Zhang, Jie; Ren, Wei; Ye, Zuo-Guang

    2016-01-01

    Highly-ordered and conformal iron oxide nanotube arrays on an atomic scale are successfully prepared by atomic layer deposition (ALD) with controlled oxidization states and tunable magnetic properties between superparamagnetism and ferrimagnetism. Non-magnetic α-Fe2O3 and superparamagnetic Fe3O4 with a blocking temperature of 120 K are in-situ obtained by finely controlling the oxidation reaction. Both of them exhibit a very small grain size of only several nanometers due to the nature of atom-by-atom growth of the ALD technique. Post-annealing α-Fe2O3 in a reducing atmosphere leads to the formation of the spinel Fe3O4 phase which displays a distinct ferrimagnetic anisotropy and the Verwey metal-insulator transition that usually takes place only in single crystal magnetite or thick epitaxial films at low temperatures. The ALD deposition of iron oxide with well-controlled phase and tunable magnetism demonstrated in this work provides a promising opportunity for the fabrication of 3D nano-devices to be used in catalysis, spintronics, microelectronics, data storages and bio-applications. PMID:26813143

  20. Random phase approximation with second-order screened exchange for current-carrying atomic states

    NASA Astrophysics Data System (ADS)

    Zhu, Wuming; Zhang, Liang; Trickey, S. B.

    2016-12-01

    The direct random phase approximation (RPA) and RPA with second-order screened exchange (SOSEX) have been implemented with complex orbitals as a basis for treating open-shell atoms. Both RPA and RPA+SOSEX are natural implicit current density functionals because the paramagnetic current density implicitly is included through the use of complex orbitals. We confirm that inclusion of the SOSEX correction improves the total energy accuracy substantially compared to RPA, especially for smaller-Z atoms. Computational complexity makes post self-consistent-field (post-SCF) evaluation of RPA-type expressions commonplace, so orbital basis origins and properties become important. Sizable differences are found in correlation energies, total atomic energies, and ionization energies for RPA-type functionals evaluated in the post-SCF fashion with orbital sets obtained from different schemes. Reference orbitals from Kohn-Sham calculations with semi-local functionals are more suitable for RPA+SOSEX to generate accurate total energies, but reference orbitals from exact exchange (non-local) yield essentially energetically degenerate open-shell atom ground states. RPA+SOSEX correlation combined with exact exchange calculated from a hybrid reference orbital set (half the exchange calculated from exact-exchange orbitals, the other half of the exchange from orbitals optimized for the Perdew-Burke-Ernzerhof (PBE) exchange functional) gives the best overall performance. Numerical results show that the RPA-like functional with SOSEX correction can be used as a practical implicit current density functional when current effects should be included.

  1. ACKS2: Atom-condensed Kohn-Sham DFT approximated to second order

    NASA Astrophysics Data System (ADS)

    Verstraelen, T.; Ayers, P. W.; Van Speybroeck, V.; Waroquier, M.

    2013-02-01

    A new polarizable force field (PFF), namely atom-condensed Kohn-Sham density functional theory approximated to second order (ACKS2), is proposed for the efficient computation of atomic charges and linear response properties of extended molecular systems. It is derived from Kohn-Sham density functional theory (KS-DFT), making use of two novel ingredients in the context of PFFs: (i) constrained atomic populations and (ii) the Legendre transform of the Kohn-Sham kinetic energy. ACKS2 is essentially an extension of the Electronegativity Equalization Method (EEM) [W. J. Mortier, S. K. Ghosh, and S. Shankar, J. Am. Chem. Soc. 108, 4315 (1986)], 10.1021/ja00275a013 in which two major EEM shortcomings are fixed: ACKS2 predicts a linear size-dependence of the dipole polarizability in the macroscopic limit and correctly describes the charge distribution when a molecule dissociates. All ACKS2 parameters are defined as atoms-in-molecules expectation values. The implementation of ACKS2 is very similar to that of EEM, with only a small increase in computational cost.

  2. The reaction of propylene with ordered and disordered oxygen atoms adsorbed on the Ag(110) surface

    NASA Astrophysics Data System (ADS)

    Ranney, Jeffrey T.; Bare, Simon R.

    1997-06-01

    The adsorption and reaction of propylene on oxygen covered Ag(110) was investigated using temperature programmed desorption spectroscopy. Propylene oxidation was compared on the oxygen reconstructed (ordered) Ag(110) surface and on the unreconstructed (disordered) oxygen dosed surface. Oxygen atoms adsorbed < 185 K do not incorporate into long silver-oxygen chains on the (110) surface and are referred to as disordered. Propylene desorbs from clean Ag(110) with an activation energy of 9.8 kcal mol -1. The desorption activation energy increases by 30% as the coverage of oxygen is increased up to 0.33 monolayers. While the desorption activation energy increase was the same on the reconstructed and unreconstructed surface, the reactivity of the adsorbed oxygen for propylene oxidation was quite different. Disordered oxygen adatoms were determined to be at least ten times more active for propylene oxidation than ordered oxygen atoms on the reconstructed surface. The decrease in activity of the oxygen atoms is attributed to the embedding of the oxygen adatoms into long silver-oxygen chains at higher temperatures. With increasing propylene coverage on the oxygen pre-covered surface the water yield increases and the yield of carbon dioxide decreases, indicating that water formation through hydrogen abstraction consumes the bulk of the oxygen at higher propylene coverages.

  3. 79 GHz UWB automotive short range radar - Spectrum allocation and technology trends

    NASA Astrophysics Data System (ADS)

    Bloecher, H.-L.; Sailer, A.; Rollmann, G.; Dickmann, J.

    2009-05-01

    Automotive UWB (Ultra-Wideband) short range radar (SSR) is on the market as a key technology for novel comfort and safety systems. SiGe based 79 GHz UWB SRR will be a definite candidate for the long term substitution of the 24 GHz UWB SRR. This paper will give an overview of the finished BMBF joint project KOKON and the recently started successing project RoCC, which concentrate on the development of this technology and sensor demonstrators. In both projects, the responsibilities of Daimler AG deal with application based sensor specification, test and evaluation of realized sensor demonstrators. Recent UWB SRR frequency regulation approaches and activitites will be introduced. Furthermore, some first results of Daimler activities within RoCC will be presented, dealing with the packaging and operation of these sensors within the complex car environment.

  4. Joint Mode Selection and Resource Allocation for Cellular Controlled Short-Range Communication in OFDMA Networks

    NASA Astrophysics Data System (ADS)

    Deng, Hui; Tao, Xiaoming; Ge, Ning; Lu, Jianhua

    This letter studies cellular controlled short-range communication in OFDMA networks. The network needs to decide when to allow direct communication between a closely located device-to-device (D2D) pair instead of conveying data from one device to the other via the base station and when not to, in addition to subchannel and power allocation. Our goal is to maximize the total network throughput while guaranteeing the rate requirements of all users. For that purpose, we formulate an optimization problem subject to subchannel and power constraints. A scheme which combines a joint mode selection and subchannel allocation algorithm based on equal power allocation with a power reallocation scheme is proposed. Simulation results show that our proposed scheme can improve the network throughput and outage probability compared with other schemes.

  5. One spatial dimensional finite volume three-body interaction for a short-range potential

    NASA Astrophysics Data System (ADS)

    Guo, Peng

    2017-03-01

    In this work, we use McGuire's model to describe scattering of three spinless identical particles in one spatial dimension; we first present analytic solutions of Faddeev's equation for scattering of three spinless particles in free space. The three particles interaction in finite volume is derived subsequently, and the quantization conditions by matching wave functions in free space and finite volume are presented in terms of two-body scattering phase shifts. The quantization conditions obtained in this work for the short-range interaction are Lüscher's formula-like and consistent with Yang's results [Phys. Rev. Lett. 19, 1312 (1967), 10.1103/PhysRevLett.19.1312].

  6. Broadband short-range surface plasmon structures for absorption enhancement in organic photovoltaics.

    PubMed

    Bai, Wenli; Gan, Qiaoqiang; Song, Guofeng; Chen, Lianghui; Kafafi, Zakya; Bartoli, Filbert

    2010-11-08

    We theoretically demonstrate a polarization-independent nanopatterned ultra-thin metallic structure supporting short-range surface plasmon polariton (SRSPP) modes to improve the performance of organic solar cells. The physical mechanism and the mode distribution of the SRSPP excited in the cell device were analyzed, and reveal that the SRSPP-assisted broadband absorption enhancement peak could be tuned by tailoring the parameters of the nanopatterned metallic structure. Three-dimensional finite-difference time domain calculations show that this plasmonic structure can enhance the optical absorption of polymer-based photovoltaics by 39% to 112%, depending on the nature of the active layer (corresponding to an enhancement in short-circuit current density by 47% to 130%). These results are promising for the design of organic photovoltaics with enhanced performance.

  7. Control of Adult Neurogenesis by Short-Range Morphogenic-Signaling Molecules.

    PubMed

    Choe, Youngshik; Pleasure, Samuel J; Mira, Helena

    2015-12-04

    Adult neurogenesis is dynamically regulated by a tangled web of local signals emanating from the neural stem cell (NSC) microenvironment. Both soluble and membrane-bound niche factors have been identified as determinants of adult neurogenesis, including morphogens. Here, we review our current understanding of the role and mechanisms of short-range morphogen ligands from the Wnt, Notch, Sonic hedgehog, and bone morphogenetic protein (BMP) families in the regulation of adult neurogenesis. These morphogens are ideally suited to fine-tune stem-cell behavior, progenitor expansion, and differentiation, thereby influencing all stages of the neurogenesis process. We discuss cross talk between their signaling pathways and highlight findings of embryonic development that provide a relevant context for understanding neurogenesis in the adult brain. We also review emerging examples showing that the web of morphogens is in fact tightly linked to the regulation of neurogenesis by diverse physiologic processes.

  8. Atomic ordering in cubic bismuth telluride alloy phases at high pressure

    NASA Astrophysics Data System (ADS)

    Loa, I.; Bos, J.-W. G.; Downie, R. A.; Syassen, K.

    2016-06-01

    Pressure-induced transitions from ordered intermetallic phases to substitutional alloys to semi-ordered phases were studied in a series of bismuth tellurides. By using angle-dispersive x-ray diffraction, the compounds Bi4Te5 , BiTe, and Bi2Te were observed to form alloys with the disordered body-centered cubic (bcc) crystal structure upon compression to above 14-19 GPa at room temperature. The BiTe and Bi2Te alloys and the previously discovered high-pressure alloys of Bi2Te3 and Bi4Te3 were all found to show atomic ordering after gentle annealing at very moderate temperatures of ˜100 ∘C . Upon annealing, BiTe transforms from bcc to the B2 (CsCl) crystal-structure type, and the other phases adopt semi-disordered variants thereof, featuring substitutional disorder on one of the two crystallographic sites. The transition pressures and atomic volumes of the alloy phases show systematic variations across the BimTen series including the end members Bi and Te. First-principles calculations were performed to characterize the electronic structure and chemical bonding properties of B2-type BiTe and to identify the driving forces of the ordering transition. The calculated Fermi surface of B2-type BiTe has an intricate structure and is predicted to undergo three topological changes between 20 and 60 GPa.

  9. Probing short-range nucleon-nucleon interactions with an electron-ion collider

    NASA Astrophysics Data System (ADS)

    Miller, Gerald A.; Sievert, Matthew D.; Venugopalan, Raju

    2016-04-01

    We derive the cross section for exclusive vector meson production in high-energy deeply inelastic scattering off a deuteron target that disintegrates into a proton and a neutron carrying large relative momentum in the final state. This cross section can be expressed in terms of a novel gluon transition generalized parton distribution (T-GPD); the hard scale in the final state makes the T-GPD sensitive to the short-distance nucleon-nucleon interaction. We perform a toy model computation of this process in a perturbative framework and discuss the time scales that allow the separation of initial- and final-state dynamics in the T-GPD. We outline the more general computation based on the factorization suggested by the toy computation: In particular, we discuss the relative role of "pointlike" and "geometric" Fock configurations that control the parton dynamics of short-range nucleon-nucleon scattering. With the aid of exclusive J /ψ production data at the Hadron-Electron Ring Accelerator at DESY, as well as elastic nucleon-nucleon cross sections, we estimate rates for exclusive deuteron photodisintegration at a future Electron-Ion Collider (EIC). Our results, obtained using conservative estimates of EIC integrated luminosities, suggest that center-of-mass energies sNN˜12 GeV2 of the neutron-proton subsystem can be accessed. We argue that the high energies of the EIC can address outstanding dynamical questions regarding the short-range quark-gluon structure of nuclear forces by providing clean gluon probes of such "knockout" exclusive reactions in light and heavy nuclei.

  10. Cortical dynamics of visual motion perception: short-range and long-range apparent motion.

    PubMed

    Grossberg, S; Rudd, M E

    1992-01-01

    This article describes further evidence for a new neural network theory of biological motion perception. The theory clarifies why parallel streams V1----V2, V1----MT, and V1----V2----MT exist for static form and motion form processing among the areas V1, V2, and MT of visual cortex. The theory suggests that the static form system (Static BCS) generates emergent boundary segmentations whose outputs are insensitive to direction-of-contrast and to direction-of-motion, whereas the motion form system (Motion BCS) generates emergent boundary segmentations whose outputs are insensitive to direction-of-contrast but sensitive to direction-of-motion. The theory is used to explain classical and recent data about short-range and long-range apparent motion percepts that have not yet been explained by alternative models. These data include beta motion, split motion, gamma motion and reverse-contrast gamma motion, delta motion, and visual inertia. Also included are the transition from group motion to element motion in response to a Ternus display as the interstimulus interval (ISI) decreases; group motion in response to a reverse-contrast Ternus display even at short ISIs; speed-up of motion velocity as interflash distance increases or flash duration decreases; dependence of the transition from element motion to group motion on stimulus duration and size, various classical dependencies between flash duration, spatial separation, ISI, and motion threshold known as Korte's laws; dependence of motion strength on stimulus orientation and spatial frequency; short-range and long-range form-color interactions; and binocular interactions of flashes to different eyes.

  11. Probing short-range nucleon-nucleon interactions with an electron-ion collider

    DOE PAGES

    Miller, Gerald A.; Sievert, Matthew D.; Venugopalan, Raju

    2016-04-07

    For this research, we derive the cross section for exclusive vector meson production in high-energy deeply inelastic scattering off a deuteron target that disintegrates into a proton and a neutron carrying large relative momentum in the final state. This cross section can be expressed in terms of a novel gluon transition generalized parton distribution (T-GPD); the hard scale in the final state makes the T-GPD sensitive to the short-distance nucleon-nucleon interaction. We perform a toy model computation of this process in a perturbative framework and discuss the time scales that allow the separation of initial- and final-state dynamics in themore » T-GPD. We outline the more general computation based on the factorization suggested by the toy computation: In particular, we discuss the relative role of “pointlike” and “geometric” Fock configurations that control the parton dynamics of short-range nucleon-nucleon scattering. With the aid of exclusive J/ψ production data at the Hadron-Electron Ring Accelerator at DESY, as well as elastic nucleon-nucleon cross sections, we estimate rates for exclusive deuteron photodisintegration at a future Electron-Ion Collider (EIC). Our results, obtained using conservative estimates of EIC integrated luminosities, suggest that center-of-mass energies sNN ~12GeV2 of the neutron-proton subsystem can be accessed. We argue that the high energies of the EIC can address outstanding dynamical questions regarding the short-range quark-gluon structure of nuclear forces by providing clean gluon probes of such “knockout” exclusive reactions in light and heavy nuclei.« less

  12. Detailed study of the nuclear dependence of the EMC effect and short-range correlations

    SciTech Connect

    Arrington, J.; Daniel, A.; Day, D. B.; Fomin, N.; Gaskell, D.; Solvignon, P.

    2012-12-01

    Background: The density of the nucleus has been important in explaining the nuclear dependence of the quark distributions, also known as the EMC effect, as well as the presence of high-momentum nucleons arising from short-range correlations (SRCs). Recent measurements of both of these effects on light nuclei have shown a clear deviation from simple density-dependent models. Purpose: A better understanding of the nuclear quark distributions and short-range correlations requires a careful examination of the experimental data on these effects to constrain models that attempt to describe these phenomena. Methods: We present a detailed analysis of the nuclear dependence of the EMC effect and the contribution of SRCs in nuclei, comparing to predictions and simple scaling models based on different pictures of the underlying physics. We also make a direct, quantitative comparison of the two effects to further examine the connection between these two observables related to nuclear structure. Results: We find that, with the inclusion of the new data on light nuclei, neither of these observables can be well explained by common assumptions for the nuclear dependence. The anomalous behavior of both effects in light nuclei is consistent with the idea that the EMC effect is driven by either the presence of high-density configurations in nuclei or the large virtuality of the high-momentum nucleons associated with these configurations. Conclusions: The unexpected nuclear dependence in the measurements of the EMC effect and SRC contributions appear to suggest that the local environment of the struck nucleon is the most relevant quantity for explaining these results. The common behavior suggests a connection between the two seemingly disparate phenomena, but the data do not yet allow for a clear preference between models which aim to explain this connection.

  13. Probing short-range nucleon-nucleon interactions with an electron-ion collider

    SciTech Connect

    Miller, Gerald A.; Sievert, Matthew D.; Venugopalan, Raju

    2016-04-07

    For this research, we derive the cross section for exclusive vector meson production in high-energy deeply inelastic scattering off a deuteron target that disintegrates into a proton and a neutron carrying large relative momentum in the final state. This cross section can be expressed in terms of a novel gluon transition generalized parton distribution (T-GPD); the hard scale in the final state makes the T-GPD sensitive to the short-distance nucleon-nucleon interaction. We perform a toy model computation of this process in a perturbative framework and discuss the time scales that allow the separation of initial- and final-state dynamics in the T-GPD. We outline the more general computation based on the factorization suggested by the toy computation: In particular, we discuss the relative role of “pointlike” and “geometric” Fock configurations that control the parton dynamics of short-range nucleon-nucleon scattering. With the aid of exclusive J/ψ production data at the Hadron-Electron Ring Accelerator at DESY, as well as elastic nucleon-nucleon cross sections, we estimate rates for exclusive deuteron photodisintegration at a future Electron-Ion Collider (EIC). Our results, obtained using conservative estimates of EIC integrated luminosities, suggest that center-of-mass energies sNN ~12GeV2 of the neutron-proton subsystem can be accessed. We argue that the high energies of the EIC can address outstanding dynamical questions regarding the short-range quark-gluon structure of nuclear forces by providing clean gluon probes of such “knockout” exclusive reactions in light and heavy nuclei.

  14. Explicitly correlated atomic orbital basis second order Møller-Plesset theory.

    PubMed

    Hollman, David S; Wilke, Jeremiah J; Schaefer, Henry F

    2013-02-14

    The scope of problems treatable by ab initio wavefunction methods has expanded greatly through the application of local approximations. In particular, atomic orbital (AO) based wavefunction methods have emerged as powerful techniques for exploiting sparsity and have been applied to biomolecules as large as 1707 atoms [S. A. Maurer, D. S. Lambrecht, D. Flaig, and C. Ochsenfeld, J. Chem. Phys. 136, 144107 (2012)]. Correlated wavefunction methods, however, converge notoriously slowly to the basis set limit and, excepting the use of large basis sets, will suffer from a severe basis set incompleteness error (BSIE). The use of larger basis sets is prohibitively expensive for AO basis methods since, for example, second-order Møller-Plesset perturbation theory (MP2) scales linearly with the number of atoms, but still scales as O(N(5)) in the number of functions per atom. Explicitly correlated F12 methods have been shown to drastically reduce BSIE for even modestly sized basis sets. In this work, we therefore explore an atomic orbital based formulation of explicitly correlated MP2-F12 theory. We present working equations for the new method, which produce results identical to the widely used molecular orbital (MO) version of MP2-F12 without resorting to a delocalized MO basis. We conclude with a discussion of several possible approaches to a priori screening of contraction terms in our method and the prospects for a linear scaling implementation of AO-MP2-F12. The discussion includes concrete examples involving noble gas dimers and linear alkane chains.

  15. Higher-order recoil corrections for singlet states of the helium atom

    NASA Astrophysics Data System (ADS)

    Patkóš, Vojtěch; Yerokhin, Vladimir A.; Pachucki, Krzysztof

    2017-01-01

    We investigate the finite nuclear mass corrections in the helium atom in order to resolve a significant disagreement between the 2 3S -2 3P and 2 3S -2 1S transition isotope shifts. These two transitions lead to discrepant results for the nuclear charge radii difference between 4He and 3He. The accurate treatment of the finite nuclear mass effects is quite complicated and requires the use of the quantum field theoretical approach. We derive the α6m2/M correction with the help of nonrelativistic QED and dimensional regularization of the three-body Coulombic system and present accurate numerical results for low-lying states. The previously reported 4 σ discrepancy in the nuclear charge radius difference between 3He and 4He from two different atomic isotope shift transitions is confirmed, which calls for verification of experimental transition frequencies.

  16. Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

    SciTech Connect

    Zhou, Yun Pollak, Eli; Miret-Artés, Salvador

    2014-01-14

    A second order classical perturbation theory is developed and applied to elastic atom corrugated surface scattering. The resulting theory accounts for experimentally observed asymmetry in the final angular distributions. These include qualitative features, such as reduction of the asymmetry in the intensity of the rainbow peaks with increased incidence energy as well as the asymmetry in the location of the rainbow peaks with respect to the specular scattering angle. The theory is especially applicable to “soft” corrugated potentials. Expressions for the angular distribution are derived for the exponential repulsive and Morse potential models. The theory is implemented numerically to a simplified model of the scattering of an Ar atom from a LiF(100) surface.

  17. Photoassociation of a cold-atom-molecule pair. II. Second-order perturbation approach

    SciTech Connect

    Lepers, M.; Vexiau, R.; Bouloufa, N.; Dulieu, O.; Kokoouline, V.

    2011-04-15

    The electrostatic interaction between an excited atom and a diatomic ground-state molecule in an arbitrary rovibrational level at large mutual separations is investigated with a general second-order perturbation theory, in the perspective of modeling the photoassociation between cold atoms and molecules. We find that the combination of quadrupole-quadrupole and van der Waals interactions competes with the rotational energy of the dimer, limiting the range of validity of the perturbative approach to distances larger than 100 Bohr radii. Numerical results are given for the long-range interaction between Cs and Cs{sub 2}, showing that the photoassociation is probably efficient for any Cs{sub 2} rotational energy.

  18. Phase decomposition and ordering in Ni-11.3 at.% Ti studied with atom probe tomography.

    PubMed

    Al-Kassab, T; Kompatscher, M; Kirchheim, R; Kostorz, G; Schönfeld, B

    2014-09-01

    The decomposition behavior of Ni-rich Ni-Ti was reassessed using Tomographic Atom Probe (TAP) and Laser Assisted Wide Angle Tomographic Atom Probe. Single crystalline specimens of Ni-11.3 at.% Ti were investigated, the states selected from the decomposition path were the metastable γ″ and γ' states introduced on the basis of small-angle neutron scattering (SANS) and the two-phase model for evaluation. The composition values of the precipitates in these states could not be confirmed by APT data as the interface of the ordered precipitates may not be neglected. The present results rather suggest to apply a three-phase model for the interpretation of SANS measurements, in which the width of the interface remains nearly unchanged and the L12 structure close to 3:1 stoichiometry is maintained in the core of the precipitates from the γ″ to the γ' state.

  19. Magnetic field and atomic order effect on the martensitic transformation of a metamagnetic alloy.

    PubMed

    Barandiaran, J M; Chernenko, V A; Cesari, E; Salas, D; Gutierrez, J; Lazpita, P

    2013-12-04

    The martensitic transformation (MT) of metamagnetic shape memory alloys is very sensitive to the applied magnetic field and atomic order. We analyze the alloy Ni50Mn34.5In15.5 in magnetic fields up to 13 T. The alloy has been prepared both in an ordered state by slow cooling, and in a disordered state by rapid quenching. In both cases the dependence of the martensitic transition temperature on the field is highly nonlinear. Such departure from linearity is due to a decrease of the entropy change at the transition, ΔS, with the applied field. This can be explained by the ordering effect of the magnetic field on the frustrated magnetic structure of the alloy in the martensitic phase. Compliance with a recent model, relying on the strong magnetoelastic interactions in these compounds, is very satisfactory.

  20. Higher-order spin-noise spectroscopy of atomic spins in fluctuating external fields

    DOE PAGES

    Li, Fuxiang; Crooker, S. A.; Sinitsyn, N. A.

    2016-03-09

    Here, we discuss the effect of external noisy magnetic fields on mesoscopic spin fluctuations that can be probed in semiconductors and atomic vapors by means of optical spin-noise spectroscopy. We also show that conventional arguments of the law of large numbers do not apply to spin correlations induced by external fields, namely, the magnitude of the 4th-order spin cumulant grows as ~N2 with the number N of observed spins, i.e., it is not suppressed in comparison to the 2nd-order cumulant. Moreover, this allows us to design a simple experiment to measure the 4th-order cumulant of spin fluctuations in an atomicmore » system near thermodynamic equilibrium and develop a quantitative theory that explains all observations.« less

  1. Studies of some problems related to atomic ordering, molecular motion and pair distribution function

    NASA Astrophysics Data System (ADS)

    Levashov, Valentin A.

    In this thesis the results of my work on three out of four projects on which I was working during my Ph.D. under supervision of Prof. M. F. Thorpe are summarized. The first project was devoted to the study of properties of a model that was developed to reproduce the ordering of ions in layered double hydroxides. In the model two types of positive ions occupy the sites of triangular lattice. The ordering of ions is assumed to occur due to the long-range Coulomb interaction. The charge neutrality is provided by the negative background charge, which is assumed to be the same at every site of the lattice. General properties of the model in 1d and 2d were studied and the phase diagrams were obtained. The obtained results predict multiple phase separations in this system of charges that can, in particularly, affect the stability of the layered double hydroxides. Some properties of the atomic pair distribution function (PDF) were studied during my work on the second project. Traditionally PDF was used to study atomic ordering at small distances, while it was assumed that at large distances PDF is featureless. Puzzled by the observation that PDF calculated for the crystalline Ni does not decay at large distances we studied the behavior, in particularly the origin of decay, of PDF at large distances. The obtained results potentially could be used to measure the amount of imperfections in crystalline materials and to test instrumental resolution in X-ray and neutron diffraction experiments. During my work on the third project we were developing a technique that would allow accurate calculation of PDF for the flexible molecules. Since quantum mechanical calculations are complicated and computationally demanding in calculations of PDF for molecules in liquid or gaseous phases, classical methods, like molecular dynamics are usually employed. Thus, quantum mechanical effects, like zero-point atomic motion, are usually ignored. However, it is necessary to take into account the

  2. Unique atom hyper-kagome order in Na4Ir3O8 and in low-symmetry spinel modifications.

    PubMed

    Talanov, V M; Shirokov, V B; Talanov, M V

    2015-05-01

    Group-theoretical and thermodynamic methods of the Landau theory of phase transitions are used to investigate the hyper-kagome atomic order in structures of ordered spinels and a spinel-like Na4Ir3O8 crystal. The formation of an atom hyper-kagome sublattice in Na4Ir3O8 is described theoretically on the basis of the archetype (hypothetical parent structure/phase) concept. The archetype structure of Na4Ir3O8 has a spinel-like structure (space group Fd\\bar 3m) and composition [Na1/2Ir3/2](16d)[Na3/2](16c)O(32e)4. The critical order parameter which induces hypothetical phase transition has been stated. It is shown that the derived structure of Na4Ir3O8 is formed as a result of the displacements of Na, Ir and O atoms, and ordering of Na, Ir and O atoms, ordering dxy, dxz, dyz orbitals as well. Ordering of all atoms takes place according to the type 1:3. Ir and Na atoms form an intriguing atom order: a network of corner-shared Ir triangles called a hyper-kagome lattice. The Ir atoms form nanoclusters which are named decagons. The existence of hyper-kagome lattices in six types of ordered spinel structures is predicted theoretically. The structure mechanisms of the formation of the predicted hyper-kagome atom order in some ordered spinel phases are established. For a number of cases typical diagrams of possible crystal phase states are built in the framework of the Landau theory of phase transitions. Thermodynamical conditions of hyper-kagome order formation are discussed by means of these diagrams. The proposed theory is in accordance with experimental data.

  3. An all-atom simulation study of the ordering of liquid squalane near a solid surface

    NASA Astrophysics Data System (ADS)

    Tsige, Mesfin; Patnaik, Soumya S.

    2008-05-01

    An all-atom molecular dynamics study using the OPLS force field has been carried out to obtain new insights in to the orientation and ordering of liquid squalane near a solid surface. As observed in previous experiments, the squalane molecules closest to a SiO 2 substrate are found to be tightly bound with their molecular axis preferentially parallel to the interface. Unlike linear alkanes, the squalane molecules are also found to lie preferentially parallel to the liquid/vapor interface. The simulation results predict that the molecular plane orientation of the squalane molecules changes from mainly parallel to perpendicular to the substrate in going further away from the substrate.

  4. Self-ordered nanoporous lattice formed by chlorine atoms on Au(111)

    NASA Astrophysics Data System (ADS)

    Cherkez, V. V.; Zheltov, V. V.; Didiot, C.; Kierren, B.; Fagot-Revurat, Y.; Malterre, D.; Andryushechkin, B. V.; Zhidomirov, G. M.; Eltsov, K. N.

    2016-01-01

    A self-ordered nanoporous lattice formed by individual chlorine atoms on the Au(111) surface has been studied with low-temperature scanning tunneling microscopy, low-energy electron diffraction, and density functional theory calculations. We have found out that room-temperature adsorption of 0.09-0.30 monolayers of chlorine on Au(111) followed by cooling below 110 K results in the spontaneous formation of a nanoporous quasihexagonal structure with a periodicity of 25-38 Å depending on the initial chlorine coverage. The driving force of the superstructure formation is attributed to the substrate-mediated elastic interaction.

  5. Effect of atomic order on the martensitic and magnetic transformations in Ni-Mn-Ga ferromagnetic shape memory alloys.

    PubMed

    Sánchez-Alarcos, V; Pérez-Landazábal, J I; Recarte, V; Rodríguez-Velamazán, J A; Chernenko, V A

    2010-04-28

    The influence of long-range L2(1) atomic order on the martensitic and magnetic transformations of Ni-Mn-Ga shape memory alloys has been investigated. In order to correlate the structural and magnetic transformation temperatures with the atomic order, calorimetric, magnetic and neutron diffraction measurements have been performed on polycrystalline and single-crystalline alloys subjected to different thermal treatments. It is found that both transformation temperatures increase with increasing atomic order, showing exactly the same linear dependence on the degree of L2(1) atomic order. A quantitative correlation between atomic order and transformation temperatures has been established, from which the effect of atomic order on the relative stability between the structural phases has been quantified. On the other hand, the kinetics of the post-quench ordering process taking place in these alloys has been studied. It is shown that the activation energy of the ordering process agrees quite well with the activation energy of the Mn self-diffusion process.

  6. EXAMPLE APPLICATION OF CFD SIMULATIONS FOR SHORT-RANGE ATMOSPHERIC DISPERSION OVER THE OPEN FIELDS OF PROJECT PRAIRIE GRASS

    EPA Science Inventory

    Computational Fluid Dynamics (CFD) techniques are increasingly being applied to air quality modeling of short-range dispersion, especially the flow and dispersion around buildings and other geometrically complex structures. The proper application and accuracy of such CFD techniqu...

  7. APPLICATION OF CFD SIMULATIONS FOR SHORT-RANGE ATMOSPHERIC DISPERSION OVER OPEN FIELDS AND WITHIN ARRAYS OF BUILDINGS

    EPA Science Inventory

    Computational Fluid Dynamics (CFD) techniques are increasingly being applied to air quality modeling of short-range dispersion, especially the flow and dispersion around buildings and other geometrically complex structures. The proper application and accuracy of such CFD techniqu...

  8. Atomic study on the ordered structure in Al melts induced by liquid/substrate interface with Ti solute

    SciTech Connect

    Zhang, H. L.; Han, Y. F. E-mail: bdsun@sjtu.edu.cn; Zhou, W.; Dai, Y. B.; Wang, J.; Sun, B. D. E-mail: bdsun@sjtu.edu.cn

    2015-01-26

    Atomic ordering in Al melts induced by liquid/substrate interface with Ti solute was investigated by ab initio molecular dynamics simulations and in-situ synchrotron X-ray diffraction. It is predicted that deformed nanoscale ordering Al layers with a rhombohedral-centered hexagonal structure (R3{sup ¯}m space group) instead of the intrinsic fcc structure (Fm3{sup ¯}m space group) form on substrate at temperature above Al liquids. With Al atoms stacking away from the interface, the ordering structure reaches a critical thickness, which inhibits the consecutive stacking of Al atoms on substrates. The locally stacking reconstruction induced by Ti atom relieves the accumulated elastic strain energy in ordered Al layers, facilitating fully heterogeneous nucleation on substrate beyond the deformed ordering Al layer around the melting point. The roles of liquid/substrate interface with Ti solute in the physical behavior of heterogeneous nucleation on substrate were discussed.

  9. Magnetic order in a frustrated two-dimensional atom lattice at a semiconductor surface

    NASA Astrophysics Data System (ADS)

    Li, Gang; Höpfner, Philipp; Schäfer, Jörg; Blumenstein, Christian; Meyer, Sebastian; Bostwick, Aaron; Rotenberg, Eli; Claessen, Ralph; Hanke, Werner

    2013-03-01

    Two-dimensional electron systems, as exploited for device applications, can lose their conducting properties because of local Coulomb repulsion, leading to a Mott-insulating state. In triangular geometries, any concomitant antiferromagnetic spin ordering can be prevented by geometric frustration, spurring speculations about ‘melted’ phases, known as spin liquid. Here we show that for a realization of a triangular electron system by epitaxial atom adsorption on a semiconductor, such spin disorder, however, does not appear. Our study compares the electron excitation spectra obtained from theoretical simulations of the correlated electron lattice with data from high-resolution photoemission. We find that an unusual row-wise antiferromagnetic spin alignment occurs that is reflected in the photoemission spectra as characteristic ‘shadow bands’ induced by the spin pattern. The magnetic order in a frustrated lattice of otherwise non-magnetic components emerges from longer-range electron hopping between the atoms. This finding can offer new ways of controlling magnetism on surfaces.

  10. Higher-order C{sub n} dispersion coefficients for the alkali-metal atoms

    SciTech Connect

    Mitroy, J.; Bromley, M.W.J.

    2005-04-01

    The van der Waals coefficients, from C{sub 11} through to C{sub 16} resulting from second-, third-, and fourth-order perturbation theory are estimated for the alkali-metal (Li, Na, K, and Rb) atoms. The dispersion coefficients are also computed for all possible combinations of the alkali-metal atoms and hydrogen. The parameters are determined from sum rules after diagonalizing a semiempirical fixed core Hamiltonian in a large basis. Comparisons of the radial dependence of the C{sub n}/r{sup n} potentials give guidance as to the radial regions in which the various higher-order terms can be neglected. It is seen that including terms up to C{sub 10}/r{sup 10} results in a dispersion interaction that is accurate to better than 1% whenever the inter-nuclear spacing is larger than 20a{sub 0}. This level of accuracy is mainly achieved due to the fortuitous cancellation between the repulsive (C{sub 11},C{sub 13},C{sub 15}) and attractive (C{sub 12},C{sub 14},C{sub 16}) dispersion forces.

  11. Long-ranged contributions to solvation free energies from theory and short-ranged models

    NASA Astrophysics Data System (ADS)

    Remsing, Richard C.; Liu, Shule; Weeks, John D.

    2016-03-01

    Long-standing problems associated with long-ranged electrostatic interactions have plagued theory and simulation alike. Traditional lattice sum (Ewald-like) treatments of Coulomb interactions add significant overhead to computer simulations and can produce artifacts from spurious interactions between simulation cell images. These subtle issues become particularly apparent when estimating thermodynamic quantities, such as free energies of solvation in charged and polar systems, to which long-ranged Coulomb interactions typically make a large contribution. In this paper, we develop a framework for determining very accurate solvation free energies of systems with long-ranged interactions from models that interact with purely short-ranged potentials. Our approach is generally applicable and can be combined with existing computational and theoretical techniques for estimating solvation thermodynamics. We demonstrate the utility of our approach by examining the hydration thermodynamics of hydrophobic and ionic solutes and the solvation of a large, highly charged colloid that exhibits overcharging, a complex nonlinear electrostatic phenomenon whereby counterions from the solvent effectively overscreen and locally invert the integrated charge of the solvated object.

  12. Evidence for short range corelations from high Q{sup 2} (e,e{prime}) reactions

    SciTech Connect

    Strikman, M.I.; Frankfurt, L.L.; Sargayan, M.M.

    1994-04-01

    For many years now short-range correlations (SRC) in nuclei have been considered as an essential feature of the nuclear wave function. At high energy (e,e{prime}) reactions, where Q{sup 2} > 1 (GeV/c){sup 2}, x = Q{sup 2}/2mq{sub o} > 1 and 1 GeV > q{sub o}> 300 {approximately} 400 MeV the scattering from low momentum nucleons is kinematically suppressed and there the evidence of SRC expected to be more prominent. These reactions have been intensively investigated during the last decade or so at SLAC on both light and heavy nuclei. The above kinematics allows one to compute the cross section through the processes local in space. To explain this the authors analyse the representation of the cross section as a Fourier transform of the commutator of electromagnetic currents and see that the major contribution in the cross section is given by the region of integration.

  13. Effects of Diffusion Time on Short-Range Hyperpolarized 3He Diffusivity Measurements in Emphysema

    PubMed Central

    Gierada, David S.; Woods, Jason C.; Bierhals, Andrew J.; Bartel, Seth T.; Ritter, Jon H.; Choong, Cliff K.; Das, Nitin A.; Hong, Cheng; Pilgram, Thomas K.; Chang, Yulin V.; Jacob, Richard E.; Hogg, James C.; Battafarano, Richard J.; Cooper, Joel D.; Meyers, Bryan F.; Patterson, G. Alexander; Yablonskiy, Dmitriy A.; Conradi, Mark S.

    2010-01-01

    Purpose To characterize the effect of diffusion time on short-range hyperpolarized 3He MR diffusion measurements across a wide range of emphysema severity. Materials and Methods 3He diffusion MR imaging was performed on 19 lungs or lobes resected from 18 subjects with varying degrees of emphysema using 3 diffusion times (1.6 msec, 5 msec, and 10 msec) at constant b value. Emphysema severity was quantified as the mean apparent diffusion coefficient (ADC) and as the percentage of pixels with ADC higher than multiple thresholds from 0.30–0.55 cm2/sec (ADC index). Quantitative histology (mean linear intercept) was obtained in 10 of the lung specimens from 10 of the subjects. Results The mean ADCs with diffusion times of 1.6, 5.0, and 10.0 msec were 0.46, 0.40, and 0.37 cm2/sec, respectively (P <0.0001, ANOVA). There was no relationship between the ADC magnitude and the effect of diffusion time on ADC values. Mean linear intercept correlated with ADC (r=0.91–0.94, P<0.001) and ADC index (r=0.78–0.92, P<0.01) at all diffusion times. Conclusion Decreases in ADC with longer diffusion time were unrelated to emphysema severity. The strong correlations between the ADC at all diffusion times tested and quantitative histology demonstrate that the ADC is a robust measure of emphysema. PMID:19787725

  14. Statistical Short-Range Forecast Guidance for Cloud Ceilings Over the Shuttle Landing Facility

    NASA Technical Reports Server (NTRS)

    Lambert, Winifred C.

    2001-01-01

    This report describes the results of the AMU's Short-Range Statistical Forecasting task. The cloud ceiling forecast over the Shuttle Landing Facility (SLF) is a critical element in determining whether a Shuttle should land. Spaceflight Meteorology Group (SMG) forecasters find that ceilings at the SLF are challenging to forecast. The AMU was tasked to develop ceiling forecast equations to minimize the challenge. Studies in the literature that showed success in improving short-term forecasts of ceiling provided the basis for the AMU task. A 20-year record of cool-season hourly surface observations from stations in east-central Florida was used for the equation development. Two methods were used: an observations-based (OBS) method that incorporated data from all stations, and a persistence climatology (PCL) method used as the benchmark. Equations were developed for 1-, 2-, and 3-hour lead times at each hour of the day. A comparison between the two methods indicated that the OBS equations performed well and produced an improvement over the PCL equations. Therefore, the conclusion of the AMU study is that OBS equations produced more accurate forecasts than the PCL equations, and can be used in operations. They provide another tool with which to make the ceiling forecasts that are critical to safe Shuttle landings at KSC.

  15. Supercoiling Effects on Short-Range DNA Looping in E. coli

    PubMed Central

    Mogil, Lauren S.; Becker, Nicole A.; Maher, L. James

    2016-01-01

    DNA-protein loops can be essential for gene regulation. The Escherichia coli lactose (lac) operon is controlled by DNA-protein loops that have been studied for decades. Here we adapt this model to test the hypothesis that negative superhelical strain facilitates the formation of short-range (6–8 DNA turns) repression loops in E. coli. The natural negative superhelicity of E. coli DNA is regulated by the interplay of gyrase and topoisomerase enzymes, adding or removing negative supercoils, respectively. Here, we measured quantitatively DNA looping in three different E. coli strains characterized by different levels of global supercoiling: wild type, gyrase mutant (gyrB226), and topoisomerase mutant (ΔtopA10). DNA looping in each strain was measured by assaying repression of the endogenous lac operon, and repression of ten reporter constructs with DNA loop sizes between 70–85 base pairs. Our data are most simply interpreted as supporting the hypothesis that negative supercoiling facilitates gene repression by small DNA-protein loops in living bacteria. PMID:27783696

  16. Percolation transition of short-ranged square well fluids in bulk and confinement.

    PubMed

    Neitsch, Helge; Klapp, Sabine H L

    2013-02-14

    Using grand canonical Monte Carlo simulations, we investigate the percolation behavior of a square-well fluid with an ultra-short range of attraction in three dimension (3D) and in confined geometry. The latter is defined through two parallel and structureless walls (slit-pore). We focus on temperatures above the critical temperature of the (metastable) condensation transition of the 3D system. Investigating a broad range of systems sizes, we first determine the percolation thresholds, i.e., the critical packing fraction for percolation η(c). For the slit-pore systems, η(c) is found to vary with the wall separation L(z) in a continuous but non-monotonic way, η(c)(L(z)→∞)=η(c)(3D). We also report results for critical exponents of the percolation transition, specifically, the exponent ν of the correlation length ξ and the two fisher exponents τ and σ of the cluster-size distribution. These exponents are obtained from a finite-size analysis involving the cluster-size distribution and the radii of gyration distribution at the percolation threshold. Within the accuracy of our simulations, the values of the critical exponents of our 3D system are comparable to those of 3D random percolation theory. For narrow slit-pores, the estimated exponents are found to be close to those obtained from the random percolation theory in two dimensions.

  17. Quick-look eye-safety assessment for the short range lidar

    SciTech Connect

    Wehner, T.R.

    1998-07-02

    This is a quick-look eye-safety assessment for the Short Range (SR) lidar, a system under development for standoff biological aerosol detection in the outdoor environment. The ground-vehicle-mounted SR lidar system will scan a sector of the nearby atmosphere with a repetitively pulsed, multiple-wavelength, UV/IR laser beam. This laser is not intrinsically eye-safe, and hence the SR lidar system requires a protection system to minimize the risk of eye exposures above the ANSI-standard maximum permissible exposure within a nominal hazard zone. The nominal ocular hazard distance for the UV/IR laser itself was calculated to be 6 km. The protection system, which will include a scan-stop detector and a laser beam path interrogator, currently is conceptual only. Until the complete protection system is designed, evaluated, and tested, and a more detailed safety assessment has been performed, the eye-safety issue for the SR lidar system cannot be resolved.

  18. Gelation of anisotropic silica colloids with thermoreversible short-range interactions

    NASA Astrophysics Data System (ADS)

    Murphy, Ryan; Wagner, Norman

    Colloidal suspensions containing anisotropic particles are widely used in particle-based technologies including pharmaceuticals, consumer products, and coatings. The rheological properties of colloidal suspensions are known to be affected by particle shape; however, the combined influence of particle shape and attraction strength is not quantitatively understood for dynamic arrest transitions such as gelation. A model system of anisotropic silica colloids with thermoreversible, short-range attractions was developed to quantify the effect of particle shape and attractions on the gelation behavior. This tunable model system aims to map a fundamental state diagram for anisotropic particle suspensions as a function of particle shape, volume fraction, and interaction strength. Macroscopic rheological properties of thermoreversible gels were explored to determine the influence of particle shape on the gel transition. Neutron and x-ray scattering methods further probed the underlying fluid and gel microstructure at various temperatures, volume fractions, and aspect ratios. Linking these fundamental macroscopic and microscopic measurements will provide practical insight into particle technologies and manufacturing processes containing anisotropic colloidal suspensions.

  19. Study Of Short-Range Correlations With 6-9 GeV/c Protons

    SciTech Connect

    Watson, J. W.

    2008-10-13

    We studied the {sup 12}C(p,2p+n) reaction at beam momenta of 5.9, 8.0 and 9.0 GeV/c. For quasielastic (p,2p) events we reconstructed p{sub f}, the momentum of the knocked-out proton before the reaction;, p{sub f} was then compared (event-by-event) with p{sub n}, the measured, coincident neutron momentum. For |p{sub n}|>k{sub F} = 0.220 GeV/c(the Fermi momentum) a strong back-to-back directional correlation between p{sub f} and p{sub n} was observed, indicative of short-range n-p correlations. From these data we concluded that for nuclear protons with momenta >0.275 GeV/c, 92{+-}18% have correlated neutron partners. This result was recently corroborated by an experiment with 4.6 GeV electrons.

  20. Meta-heuristic CRPS minimization for the calibration of short-range probabilistic forecasts

    NASA Astrophysics Data System (ADS)

    Mohammadi, Seyedeh Atefeh; Rahmani, Morteza; Azadi, Majid

    2016-08-01

    This paper deals with the probabilistic short-range temperature forecasts over synoptic meteorological stations across Iran using non-homogeneous Gaussian regression (NGR). NGR creates a Gaussian forecast probability density function (PDF) from the ensemble output. The mean of the normal predictive PDF is a bias-corrected weighted average of the ensemble members and its variance is a linear function of the raw ensemble variance. The coefficients for the mean and variance are estimated by minimizing the continuous ranked probability score (CRPS) during a training period. CRPS is a scoring rule for distributional forecasts. In the paper of Gneiting et al. (Mon Weather Rev 133:1098-1118, 2005), Broyden-Fletcher-Goldfarb-Shanno (BFGS) method is used to minimize the CRPS. Since BFGS is a conventional optimization method with its own limitations, we suggest using the particle swarm optimization (PSO), a robust meta-heuristic method, to minimize the CRPS. The ensemble prediction system used in this study consists of nine different configurations of the weather research and forecasting model for 48-h forecasts of temperature during autumn and winter 2011 and 2012. The probabilistic forecasts were evaluated using several common verification scores including Brier score, attribute diagram and rank histogram. Results show that both BFGS and PSO find the optimal solution and show the same evaluation scores, but PSO can do this with a feasible random first guess and much less computational complexity.

  1. Evaluation of NCEP TIGGE short-range forecast for Indian summer monsoon intraseasonal oscillation

    NASA Astrophysics Data System (ADS)

    Tirkey, Snehlata; Mukhopadhyay, P.

    2016-04-01

    This study focuses on the short-range prediction of Monsoon Intraseasonal Oscillations (MISOs) using the National Centers for Environmental Prediction(NCEP) Ensemble Prediction System (EPS) data from The Observing System Research and Predictability Experiment (THORPEX) Interactive Grand Global Ensemble (TIGGE) archive. The Indian Summer Monsoon Rainfall (ISMR), which plays an important role in the socio-economic growth of the country, is highly variable and is mostly governed by the MISOs. In addition to this, deterministic forecasts of ISMR are not very reliable. Hence, a probabilistic approach at daily scale is required. Keeping this in mind, the present analysis is done by using daily forecast data for up to 7-day lead time and compared with observations. The analysis shows that the ensemble forecast well captures the variability as compared to observations even up to 7 days. The spatial characteristics and the northward propagation of MISO are observed thoroughly in the EPS. The evolution of dynamical and thermodynamical parameters such as specific humidity, moist static energy, moisture divergence, and vorticity is also captured well but show deviation from the observation from 96 h lead time onwards. The tropospheric temperature forecast captures the observed gradient but with certain bias in magnitude whereas the wind shear is simulated quite well both in pattern and magnitude. These analyses bring out the biases in TIGGE EPS forecast and also point out the possible moist processes which needs to be improved.

  2. Relations between short-range and long-range Ising models.

    PubMed

    Angelini, Maria Chiara; Parisi, Giorgio; Ricci-Tersenghi, Federico

    2014-06-01

    We perform a numerical study of the long-range (LR) ferromagnetic Ising model with power law decaying interactions (J∝r{-d-σ}) on both a one-dimensional chain (d=1) and a square lattice (d=2). We use advanced cluster algorithms to avoid the critical slowing down. We first check the validity of the relation connecting the critical behavior of the LR model with parameters (d,σ) to that of a short-range (SR) model in an equivalent dimension D. We then study the critical behavior of the d=2 LR model close to the lower critical σ, uncovering that the spatial correlation function decays with two different power laws: The effect of the subdominant power law is much stronger than finite-size effects and actually makes the estimate of critical exponents very subtle. By including this subdominant power law, the numerical data are consistent with the standard renormalization group (RG) prediction by Sak [Phys. Rev. B 8, 281 (1973)], thus making not necessary (and unlikely, according to Occam's razor) the recent proposal by Picco [arXiv:1207.1018] of having a new set of RG fixed points in addition to the mean-field one and the SR one.

  3. Pair correlation function of short-ranged square-well fluids.

    PubMed

    Largo, J; Solana, J R; Yuste, S B; Santos, A

    2005-02-22

    We have performed extensive Monte Carlo simulations in the canonical (NVT) ensemble of the pair correlation function for square-well fluids with well widths lambda-1 ranging from 0.1 to 1.0, in units of the diameter sigma of the particles. For each one of these widths, several densities rho and temperatures T in the ranges 0.1< or =rhosigma(3)< or =0.8 and T(c)(lambda) less or approximately T less or approximately 3T(c)(lambda), where T(c)(lambda) is the critical temperature, have been considered. The simulation data are used to examine the performance of two analytical theories in predicting the structure of these fluids: the perturbation theory proposed by Tang and Lu [Y. Tang and B. C.-Y. Lu, J. Chem. Phys. 100, 3079 (1994); 100, 6665 (1994)] and the nonperturbative model proposed by two of us [S. B. Yuste and A. Santos, J. Chem. Phys. 101 2355 (1994)]. It is observed that both theories complement each other, as the latter theory works well for short ranges and/or moderate densities, while the former theory works for long ranges and high densities.

  4. Polarizable embedding with a multiconfiguration short-range density functional theory linear response method

    SciTech Connect

    Hedegård, Erik Donovan; Olsen, Jógvan Magnus Haugaard; Knecht, Stefan; Kongsted, Jacob Jensen, Hans Jørgen Aagaard

    2015-03-21

    We present here the coupling of a polarizable embedding (PE) model to the recently developed multiconfiguration short-range density functional theory method (MC-srDFT), which can treat multiconfigurational systems with a simultaneous account for dynamical and static correlation effects. PE-MC-srDFT is designed to combine efficient treatment of complicated electronic structures with inclusion of effects from the surrounding environment. The environmental effects encompass classical electrostatic interactions as well as polarization of both the quantum region and the environment. Using response theory, molecular properties such as excitation energies and oscillator strengths can be obtained. The PE-MC-srDFT method and the additional terms required for linear response have been implemented in a development version of DALTON. To benchmark the PE-MC-srDFT approach against the literature data, we have investigated the low-lying electronic excitations of acetone and uracil, both immersed in water solution. The PE-MC-srDFT results are consistent and accurate, both in terms of the calculated solvent shift and, unlike regular PE-MCSCF, also with respect to the individual absolute excitation energies. To demonstrate the capabilities of PE-MC-srDFT, we also investigated the retinylidene Schiff base chromophore embedded in the channelrhodopsin protein. While using a much more compact reference wave function in terms of active space, our PE-MC-srDFT approach yields excitation energies comparable in quality to CASSCF/CASPT2 benchmarks.

  5. Investigation of Multiconfigurational Short-Range Density Functional Theory for Electronic Excitations in Organic Molecules.

    PubMed

    Hubert, Mickaël; Hedegård, Erik D; Jensen, Hans Jørgen Aa

    2016-05-10

    Computational methods that can accurately and effectively predict all types of electronic excitations for any molecular system are missing in the toolbox of the computational chemist. Although various Kohn-Sham density-functional methods (KS-DFT) fulfill this aim in some cases, they become inadequate when the molecule has near-degeneracies and/or low-lying double-excited states. To address these issues we have recently proposed multiconfiguration short-range density-functional theory-MC-srDFT-as a new tool in the toolbox. While initial applications for systems with multireference character and double excitations have been promising, it is nevertheless important that the accuracy of MC-srDFT is at least comparable to the best KS-DFT methods also for organic molecules that are typically of single-reference character. In this paper we therefore systematically investigate the performance of MC-srDFT for a selected benchmark set of electronic excitations of organic molecules, covering the most common types of organic chromophores. This investigation confirms the expectation that the MC-srDFT method is accurate for a broad range of excitations and comparable to accurate wave function methods such as CASPT2, NEVPT2, and the coupled cluster based CC2 and CC3.

  6. Extended Kalman Doppler tracking and model determination for multi-sensor short-range radar

    NASA Astrophysics Data System (ADS)

    Mittermaier, Thomas J.; Siart, Uwe; Eibert, Thomas F.; Bonerz, Stefan

    2016-09-01

    A tracking solution for collision avoidance in industrial machine tools based on short-range millimeter-wave radar Doppler observations is presented. At the core of the tracking algorithm there is an Extended Kalman Filter (EKF) that provides dynamic estimation and localization in real-time. The underlying sensor platform consists of several homodyne continuous wave (CW) radar modules. Based on In-phase-Quadrature (IQ) processing and down-conversion, they provide only Doppler shift information about the observed target. Localization with Doppler shift estimates is a nonlinear problem that needs to be linearized before the linear KF can be applied. The accuracy of state estimation depends highly on the introduced linearization errors, the initialization and the models that represent the true physics as well as the stochastic properties. The important issue of filter consistency is addressed and an initialization procedure based on data fitting and maximum likelihood estimation is suggested. Models for both, measurement and process noise are developed. Tracking results from typical three-dimensional courses of movement at short distances in front of a multi-sensor radar platform are presented.

  7. Long-ranged contributions to solvation free energies from theory and short-ranged models

    PubMed Central

    Remsing, Richard C.; Liu, Shule; Weeks, John D.

    2016-01-01

    Long-standing problems associated with long-ranged electrostatic interactions have plagued theory and simulation alike. Traditional lattice sum (Ewald-like) treatments of Coulomb interactions add significant overhead to computer simulations and can produce artifacts from spurious interactions between simulation cell images. These subtle issues become particularly apparent when estimating thermodynamic quantities, such as free energies of solvation in charged and polar systems, to which long-ranged Coulomb interactions typically make a large contribution. In this paper, we develop a framework for determining very accurate solvation free energies of systems with long-ranged interactions from models that interact with purely short-ranged potentials. Our approach is generally applicable and can be combined with existing computational and theoretical techniques for estimating solvation thermodynamics. We demonstrate the utility of our approach by examining the hydration thermodynamics of hydrophobic and ionic solutes and the solvation of a large, highly charged colloid that exhibits overcharging, a complex nonlinear electrostatic phenomenon whereby counterions from the solvent effectively overscreen and locally invert the integrated charge of the solvated object. PMID:26929375

  8. Polarizable embedding with a multiconfiguration short-range density functional theory linear response method.

    PubMed

    Hedegård, Erik Donovan; Olsen, Jógvan Magnus Haugaard; Knecht, Stefan; Kongsted, Jacob; Jensen, Hans Jørgen Aagaard

    2015-03-21

    We present here the coupling of a polarizable embedding (PE) model to the recently developed multiconfiguration short-range density functional theory method (MC-srDFT), which can treat multiconfigurational systems with a simultaneous account for dynamical and static correlation effects. PE-MC-srDFT is designed to combine efficient treatment of complicated electronic structures with inclusion of effects from the surrounding environment. The environmental effects encompass classical electrostatic interactions as well as polarization of both the quantum region and the environment. Using response theory, molecular properties such as excitation energies and oscillator strengths can be obtained. The PE-MC-srDFT method and the additional terms required for linear response have been implemented in a development version of Dalton. To benchmark the PE-MC-srDFT approach against the literature data, we have investigated the low-lying electronic excitations of acetone and uracil, both immersed in water solution. The PE-MC-srDFT results are consistent and accurate, both in terms of the calculated solvent shift and, unlike regular PE-MCSCF, also with respect to the individual absolute excitation energies. To demonstrate the capabilities of PE-MC-srDFT, we also investigated the retinylidene Schiff base chromophore embedded in the channelrhodopsin protein. While using a much more compact reference wave function in terms of active space, our PE-MC-srDFT approach yields excitation energies comparable in quality to CASSCF/CASPT2 benchmarks.

  9. Effects of Diffusion Time on Short-Range Hyperpolarized 3He Diffusivity Measurements in Emphysema

    SciTech Connect

    Gierada, David S.; Woods, Jason C.; Bierhals, Andrew J.; Bartel, Seth T.; Ritter, Jon H.; Choong, Cliff K.; Das, Nitin A.; Hong, Cheng; Pilgram, Thomas K.; Chang, Yulin V.; Jacob, Rick E.; Hogg, James C.; Battafarano, Richard J.; Cooper, Joel D.; Meyers, Bryan F.; Patterson, G Alexander; Yablonskiy, Dmitriy A.; Conradi, Mark S.

    2009-09-28

    Purpose: To characterize the effect of diffusion time on short-range hyperpolarized 3He MR diffusion measurements across a wide range of emphysema severity. Materials and Methods: 3He diffusion MR imaging was performed on 19 lungs or lobes resected from 18 subjects with varying degrees of emphysema using 3 diffusion times (1.6 msec, 5 msec, and 10 msec) at constant b value. Emphysema severity was quantified as the mean apparent diffusion coefficient (ADC) and as the percentage of pixels with ADC higher than multiple thresholds from 0.30-0.55 cm2/sec (ADC index). Quantitative histology (mean linear intercept) was obtained in 10 of the lung specimens from 10 of the subjects. Results: The mean ADCs with diffusion times of 1.6, 5.0, and 10.0 msec were 0.46, 0.40, and 0.37 cm2/sec, respectively (P <0.0001, ANOVA). There was no relationship between the ADC magnitude and the effect of diffusion time on ADC values. Mean linear intercept correlated with ADC (r=0.91-0.94, P<0.001) and ADC index (r=0.78-0.92, P<0.01) at all diffusion times.

  10. Effect of long- and short-range interactions on the thermodynamics of dipolar spin ice

    NASA Astrophysics Data System (ADS)

    Shevchenko, Yuriy; Makarov, Aleksandr; Nefedev, Konstantin

    2017-02-01

    The thermodynamic properties of dipolar spin ice on square, honeycomb and shakti lattices in the long-range and short-range dipole interaction models are studied. Exact solutions for the density of states, temperature dependencies of heat capacity, and entropy are obtained for these lattices with a finite number of point dipoles by means of complete enumeration. The magnetic susceptibility and average size of the largest low-energy cluster are calculated for square spin ice by means of Wang-Landau and Metropolis methods. We show that the long-range interaction leads to a blurring of the energy spectrum for all considered lattices. The inclusion of the long-range interaction leads to a significant change in the thermodynamic behaviour. An additional peak of heat capacity appears in the case of the honeycomb lattice. The critical temperature shifts in the direction of low or high temperatures; the direction depends on the lattice geometry. The critical temperature of the phase transition of square spin ice in the long-range model with frustrated ground states is obtained with the Wang-Landau and Metropolis methods independently.

  11. Cluster formation in fluids with competing short-range and long-range interactions

    NASA Astrophysics Data System (ADS)

    Sweatman, Martin B.; Fartaria, Rui; Lue, Leo

    2014-03-01

    We investigate the low density behaviour of fluids that interact through a short-ranged attraction together with a long-ranged repulsion (SALR potential) by developing a molecular thermodynamic model. The SALR potential is a model of effective solute interactions where the solvent degrees of freedom are integrated-out. For this system, we find that clusters form for a range of interaction parameters where attractive and repulsive interactions nearly balance, similar to micelle formation in aqueous surfactant solutions. We focus on systems for which equilibrium behaviour and liquid-like clusters (i.e., droplets) are expected, and find in addition a novel coexistence between a low density cluster phase and a high density cluster phase within a very narrow range of parameters. Moreover, a simple formula for the average cluster size is developed. Based on this formula, we propose a non-classical crystal nucleation pathway whereby macroscopic crystals are formed via crystal nucleation within microscopic precursor droplets. We also perform large-scale Monte Carlo simulations, which demonstrate that the cluster fluid phase is thermodynamically stable for this system.

  12. Precise long-range migration results from short-range stepwise migration during ring gland organogenesis.

    PubMed

    Sánchez-Higueras, Carlos; Hombría, James Castelli-Gair

    2016-06-01

    Many organs are specified far from the location they occupy when functional, having to migrate long distances through the heterogeneous and dynamic environment of the early embryo. We study the formation of the main Drosophila endocrine organ, the ring gland, as a new model to investigate in vivo the genetic regulation of collective cell migration. The ring gland results from the fusion of three independent gland primordia that migrate from the head towards the anterior aorta as the embryo is experiencing major morphogenetic movements. To complete their long-range migration, the glands extend filopodia moving sequentially towards a nearby intermediate target and from there to more distal ones. Thus, the apparent long-range migration is composed of several short-range migratory steps that facilitate reaching the final destination. We find that the target tissues react to the gland's proximity by sending filopodia towards it. Our finding of a succession of independent migration stages is consistent with the stepwise evolution of ring gland assembly and fits with the observed gland locations found in extant crustaceans, basal insects and flies.

  13. A UHF RFID system with on-chip-antenna tag for short range communication

    NASA Astrophysics Data System (ADS)

    Qi, Peng; Chun, Zhang; Xijin, Zhao; Zhihua, Wang

    2015-05-01

    A UHF RF identification system based on the 0.18 μm CMOS process has been developed for short range and harsh size requirement applications, which is composed of a fully integrated tag and a special reader. The whole tag chip with the antenna takes up an area of 0.36 mm2, which is smaller than other reported tags with an on-chip antenna (OCA) using the standard CMOS process. A self-defined protocol is proposed to reduce the power consumption, and minimize the size of the tag. The specialized SOC reader system consists of the RF transceiver, digital baseband, MCU and host interface. Its power consumption is about 500 mW. Measurement results show that the system's reading range is 2 mm with 20 dBm reader output power. With an inductive antenna printed on a paper substrate around the OCA tag, the reading range can be extended from several centimeters to meters, depending on the shape and size of the inductive antenna.

  14. Visualization of a short-range Wnt gradient in the intestinal stem-cell niche.

    PubMed

    Farin, Henner F; Jordens, Ingrid; Mosa, Mohammed H; Basak, Onur; Korving, Jeroen; Tauriello, Daniele V F; de Punder, Karin; Angers, Stephane; Peters, Peter J; Maurice, Madelon M; Clevers, Hans

    2016-02-18

    Mammalian Wnt proteins are believed to act as short-range signals, yet have not been previously visualized in vivo. Self-renewal, proliferation and differentiation are coordinated along a putative Wnt gradient in the intestinal crypt. Wnt3 is produced specifically by Paneth cells. Here we have generated an epitope-tagged, functional Wnt3 knock-in allele. Wnt3 covers basolateral membranes of neighbouring stem cells. In intestinal organoids, Wnt3-transfer involves direct contact between Paneth cells and stem cells. Plasma membrane localization requires surface expression of Frizzled receptors, which in turn is regulated by the transmembrane E3 ligases Rnf43/Znrf3 and their antagonists Lgr4-5/R-spondin. By manipulating Wnt3 secretion and by arresting stem-cell proliferation, we demonstrate that Wnt3 mainly travels away from its source in a cell-bound manner through cell division, and not through diffusion. We conclude that stem-cell membranes constitute a reservoir for Wnt proteins, while Frizzled receptor turnover and 'plasma membrane dilution' through cell division shape the epithelial Wnt3 gradient.

  15. Short-range interactions versus long-range correlations in bird flocks

    NASA Astrophysics Data System (ADS)

    Cavagna, Andrea; Del Castello, Lorenzo; Dey, Supravat; Giardina, Irene; Melillo, Stefania; Parisi, Leonardo; Viale, Massimiliano

    2015-07-01

    Bird flocks are a paradigmatic example of collective motion. One of the prominent traits of flocking is the presence of long range velocity correlations between individuals, which allow them to influence each other over the large scales, keeping a high level of group coordination. A crucial question is to understand what is the mutual interaction between birds generating such nontrivial correlations. Here we use the maximum entropy (ME) approach to infer from experimental data of natural flocks the effective interactions between individuals. Compared to previous studies, we make a significant step forward as we retrieve the full functional dependence of the interaction on distance, and find that it decays exponentially over a range of a few individuals. The fact that ME gives a short-range interaction even though its experimental input is the long-range correlation function, shows that the method is able to discriminate the relevant information encoded in such correlations and single out a minimal number of effective parameters. Finally, we show how the method can be used to capture the degree of anisotropy of mutual interactions.

  16. Large Magnetocaloric Effect Around Room Temperature in Amorphous Fe-Gd-Zr Alloy Ribbon with Short-Range Interactions

    NASA Astrophysics Data System (ADS)

    Thanh, Tran Dang; Yen, Nguyen Hai; Duc, Nguyen Huu; Phan, The-Long; Dan, Nguyen Huy; Yu, Seong-Cho

    2016-05-01

    In this work, we present a detailed study on the magnetocaloric effect and the critical behaviors of an amorphous Fe88Gd2Zr10 alloy ribbon prepared by using a rapid quenching method. We point out that the value of maximum magnetic entropy change (|∆ S max|) of amorphous Fe88Gd2Zr10 alloy ribbon appeared at near room temperature and versus Δ H obeys a power law, |∆ S max| = a·Δ H n. In addition, all Δ S m( T, Δ H) data measured at different Δ H values are collapsed onto a universal master curve. Interestingly, M 2 versus H/ M curves prove amorphous Fe88Gd2Zr10 ribbon exhibitied a second-order magnetic phase transition. The critical exponents ( β, γ, and δ) obtained from the modified Arrott plots and the Kouvel-Fisher methods, and critical isotherm analysis are very close to those expected for the 3D-Heisenberg model, proving ferromagnetic short-range interactions exist in amorphous Fe88Gd2Zr10 ribbon.

  17. Transitions from order to disorder in multiple dark and multiple dark-bright soliton atomic clouds

    DOE PAGES

    Wang, Wenlong; Kevrekidis, P. G.

    2015-03-09

    We have performed a systematic study quantifying the variation of solitary wave behavior from that of an ordered cloud resembling a “crystalline” configuration to that of a disordered state that can be characterized as a soliton “gas.” As our illustrative examples, we use both one-component, as well as two-component, one-dimensional atomic gases very close to zero temperature, where in the presence of repulsive interatomic interactions and of a parabolic trap, a cloud of dark (dark-bright) solitons can form in the one- (two-) component system. We corroborate our findings through three distinct types of approaches, namely a Gross-Pitaevskii type of partialmore » differential equation, particle-based ordinary differential equations describing the soliton dynamical system, and Monte Carlo simulations for the particle system. In addition, we define an “empirical” order parameter to characterize the order of the soliton lattices and study how this changes as a function of the strength of the “thermally” (i.e., kinetically) induced perturbations. As may be anticipated by the one-dimensional nature of our system, the transition from order to disorder is gradual without, apparently, a genuine phase transition ensuing in the intermediate regime.« less

  18. Transitions from order to disorder in multiple dark and multiple dark-bright soliton atomic clouds

    SciTech Connect

    Wang, Wenlong; Kevrekidis, P. G.

    2015-03-09

    We have performed a systematic study quantifying the variation of solitary wave behavior from that of an ordered cloud resembling a “crystalline” configuration to that of a disordered state that can be characterized as a soliton “gas.” As our illustrative examples, we use both one-component, as well as two-component, one-dimensional atomic gases very close to zero temperature, where in the presence of repulsive interatomic interactions and of a parabolic trap, a cloud of dark (dark-bright) solitons can form in the one- (two-) component system. We corroborate our findings through three distinct types of approaches, namely a Gross-Pitaevskii type of partial differential equation, particle-based ordinary differential equations describing the soliton dynamical system, and Monte Carlo simulations for the particle system. In addition, we define an “empirical” order parameter to characterize the order of the soliton lattices and study how this changes as a function of the strength of the “thermally” (i.e., kinetically) induced perturbations. As may be anticipated by the one-dimensional nature of our system, the transition from order to disorder is gradual without, apparently, a genuine phase transition ensuing in the intermediate regime.

  19. Importance of Achromatic Contrast in Short-Range Fruit Foraging of Primates

    PubMed Central

    Hiramatsu, Chihiro; Melin, Amanda D.; Aureli, Filippo; Schaffner, Colleen M.; Vorobyev, Misha; Matsumoto, Yoshifumi; Kawamura, Shoji

    2008-01-01

    Trichromatic primates have a ‘red-green’ chromatic channel in addition to luminance and ‘blue-yellow’ channels. It has been argued that the red-green channel evolved in primates as an adaptation for detecting reddish or yellowish objects, such as ripe fruits, against a background of foliage. However, foraging advantages to trichromatic primates remain unverified by behavioral observation of primates in their natural habitats. New World monkeys (platyrrhines) are an excellent model for this evaluation because of the highly polymorphic nature of their color vision due to allelic variation of the L-M opsin gene on the X chromosome. In this study we carried out field observations of a group of wild, frugivorous black-handed spider monkeys (Ateles geoffroyi frontatus, Gray 1842, Platyrrhini), consisting of both dichromats (n = 12) and trichromats (n = 9) in Santa Rosa National Park, Costa Rica. We determined the color vision types of individuals in this group by genotyping their L-M opsin and measured foraging efficiency of each individual for fruits located at a grasping distance. Contrary to the predicted advantage for trichromats, there was no significant difference between dichromats and trichromats in foraging efficiency and we found that the luminance contrast was the main determinant of the variation of foraging efficiency among red-green, blue-yellow and luminance contrasts. Our results suggest that luminance contrast can serve as an important cue in short-range foraging attempts despite other sensory cues that could be available. Additionally, the advantage of red-green color vision in primates may not be as salient as previously thought and needs to be evaluated in further field observations. PMID:18836576

  20. Short-Range Structure of Clouds Studied by High Resolution Photography From the Surface

    NASA Astrophysics Data System (ADS)

    Schwartz, S. E.; Huang, D.; Vladutescu, D. V.

    2015-12-01

    Clouds exhibit structures at a wide range of length scales. Passive radiometry from satellite shows structure on scales of tens to thousands of kilometers, but there is much structure at short spatial scales not resolved by satellite imagery. Here we use a commercial camera having high spatial resolution (~20 μrad) and high dynamic range (16 bits in each of three color channels) in narrow field-of-view (20 mrad, 110 mrad), zenith-looking mode from the surface, to examine clouds at the scale of centimeters to a few hundred meters, focusing on non-precipitating single-layer clouds during daytime. Up-looking photography of clouds from the surface affords the further advantage, relative to satellite imagery, of black background (space) with contributions to radiance only from blue sky (Rayleigh scattering), aerosols, and clouds, permitting reconstruction of observed radiance by radiation transfer modeling. Contrast between cloudy and cloud-free sky is enhanced in Red/(Red + Blue), RRB, image Figure 1, but no unique value of RRB distinguishes a pixel as cloud vs. cloud-free. Short-range variability is characterized by the autocorrelation length scale, which is not uncommonly as short as a few meters; longer range variability, such as cloud characteristic size, separation distance, and cloud spatial organization, is also characterized. Scene reconstruction yields the 2D distribution of cloud optical depth; spatial inhomogeneity is attributed mainly to horizontal variation in vertical motion of the air and resultant condensation or evaporation associated with upward or downward motion, respectively. Alternative approaches to calculation of the radiative influence of such clouds from the autocorrelation structure of the cloud field are examined. Figure 1. RGB image of zenith sky at New York City, May 22, 2015, (field of view 21 mrad corresponding to 56 m at cloud altitude 2.6 km) showing broken single-layer cloud; corresponding RRB image; and autocorrelation of RRB image.

  1. Well-ordered ZnO nanotube arrays and networks grown by atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Zhang, Yijun; Liu, Ming; Ren, Wei; Ye, Zuo-Guang

    2015-06-01

    Semiconductor ZnO, possessing a large exciton binding energy and wide band gap, has received a great deal of attention because it shows great potential for applications in optoelectronics. Precisely controlling the growth of three-dimensional ZnO nanotube structures with a uniform morphology constitutes an important step forward toward integrating ZnO nanostructures into microelectronic devices. Atomic layer deposition (ALD) technique, featured with self-limiting surface reactions, is an ideal approach to the fabrication of ZnO nanostructures, because it allows for accurate control of the thickness at atomic level and conformal coverage in complex 3D structures. In this work, well-ordered ZnO nanotube arrays and networks are prepared by ALD. The morphology, crystallinity and wall thickness of these nanotube structures are examined for different growth conditions. The microstructure of the ZnO nanotubes is investigated by transmission electron microscopy and X-ray diffraction. The high aspect ratio of ZnO nanotubes provides a large specific area which could enhance the kinetics of chemical reactions taking place between the ZnO and its surroundings, making the potential devices more efficient and compact.

  2. Improvement of RAMS precipitation forecast at the short-range through lightning data assimilation

    NASA Astrophysics Data System (ADS)

    Federico, Stefano; Petracca, Marco; Panegrossi, Giulia; Dietrich, Stefano

    2017-01-01

    This study shows the application of a total lightning data assimilation technique to the RAMS (Regional Atmospheric Modeling System) forecast. The method, which can be used at high horizontal resolution, helps to initiate convection whenever flashes are observed by adding water vapour to the model grid column. The water vapour is added as a function of the flash rate, local temperature, and graupel mixing ratio. The methodology is set up to improve the short-term (3 h) precipitation forecast and can be used in real-time forecasting applications. However, results are also presented for the daily precipitation for comparison with other studies. The methodology is applied to 20 cases that occurred in fall 2012, which were characterized by widespread convection and lightning activity. For these cases a detailed dataset of hourly precipitation containing thousands of rain gauges over Italy, which is the target area of this study, is available through the HyMeX (HYdrological cycle in the Mediterranean Experiment) initiative. This dataset gives the unique opportunity to verify the precipitation forecast at the short range (3 h) and over a wide area (Italy). Results for the 27 October case study show how the methodology works and its positive impact on the 3 h precipitation forecast. In particular, the model represents better convection over the sea using the lightning data assimilation and, when convection is advected over the land, the precipitation forecast improves over the land. It is also shown that the precise location of convection by lightning data assimilation improves the precipitation forecast at fine scales (meso-β). The application of the methodology to 20 cases gives a statistically robust evaluation of the impact of the total lightning data assimilation on the model performance. Results show an improvement of all statistical scores, with the exception of the bias. The probability of detection (POD) increases by 3-5 % for the 3 h forecast and by more than 5

  3. Safety and Mission Assurance (SMA) Automated Task Order Management System (ATOMS) Operation Manual

    NASA Technical Reports Server (NTRS)

    Wallace, Shawn; Fikes, Lou A.

    2016-01-01

    This document describes operational aspects of the ATOMS system. The information provided is limited to the functionality provided by ATOMS and does not include information provided in the contractor's proprietary financial and task management system.

  4. Increased myocardial short-range forces in a rodent model of diabetes reflect elevated content of β myosin heavy chain.

    PubMed

    Chung, Charles S; Mitov, Mihail I; Callahan, Leigh Ann; Campbell, Kenneth S

    2014-06-15

    Diastolic dysfunction is a clinically significant problem for patients with diabetes and often reflects increased ventricular stiffness. Attached cross-bridges contribute to myocardial stiffness and produce short-range forces, but it is not yet known whether these forces are altered in diabetes. In this study, we tested the hypothesis that cross-bridge-based short-range forces are increased in the streptozotocin (STZ) induced rat model of type 1 diabetes. Chemically permeabilized myocardial preparations were obtained from 12week old rats that had been injected with STZ or vehicle 4weeks earlier, and activated in solutions with pCa (=-log10[Ca(2+)]) values ranging from 9.0 to 4.5. The short-range forces elicited by controlled length changes were ∼67% greater in the samples from the diabetic rats than in the control preparations. This change was mostly due to an increased elastic limit (the length change at the peak short-range force) as opposed to increased passive muscle stiffness. The STZ-induced increase in short-ranges forces is thus unlikely to reflect changes to titin and/or collagen filaments. Gel electrophoresis showed that STZ increased the relative expression of β myosin heavy chain. This molecular mechanism can explain the increased short-ranges forces observed in the diabetic tissue if β myosin molecules remain bound between the filaments for longer durations than α molecules during imposed movements. These results suggest that interventions that decrease myosin attachment times may be useful treatments for diastolic dysfunction associated with diabetes.

  5. Intensity-dependent atomic-phase effects in high-order harmonic generation

    NASA Astrophysics Data System (ADS)

    Peatross, J.; Meyerhofer, D. D.

    1995-11-01

    The far-field angular distributions of high-order harmonics of a 1054-nm laser, with orders ranging from the lower teens to the upper thirties, have been measured in thin, low-density Ar, Kr, and Xe targets. The 1.25-times-diffraction-limited, 1.4-ps-duration, Gaussian laser pulses were focused to intensities ranging from 3×1013 to 3×1014 W/cm2, using f/70 optics. A gas target localized the gas distribution near the laser focus to a thickness of about 1 mm at pressures as low as 0.3 Torr. The weak focusing geometry and the low gas pressures created experimental conditions for which the harmonics could be thought of as emerging from a plane at the laser focus rather than a three-dimensional volume. The far-field distributions of nearly all of the harmonics exhibit narrow central peaks surrounded by broad wings of about the same angular divergence as the emerging laser beam. The spatial wings are due to an intensity-dependent phase variation among the dipole moments of the individual target atoms. This phase variation gives rise to broad spatial interferences in the scattered light due to the radial and temporal variation of the laser intensity.

  6. Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses

    NASA Astrophysics Data System (ADS)

    Antonowicz, J.; Pietnoczka, A.; Pekała, K.; Latuch, J.; Evangelakis, G. A.

    2014-05-01

    We studied atomic and electronic structures of binary Cu-Zr metallic glasses (MGs) using combined experimental and computational methods including X-ray absorption fine structure spectroscopy, electrical resistivity, thermoelectric power (TEP) measurements, molecular dynamics (MD) simulations, and ab-initio calculations. The results of MD simulations and extended X-ray absorption fine structure analysis indicate that atomic order of Cu-Zr MGs and can be described in terms of interpenetrating icosahedral-like clusters involving five-fold symmetry. MD configurations were used as an input for calculations of theoretical electronic density of states (DOS) functions which exhibits good agreement with the experimental X-ray absorption near-edge spectra. We found no indication of minimum of DOS at Fermi energy predicted by Mott's nearly free electron (NFE) model for glass-forming alloys. The theoretical DOS was subsequently used to test Mott's model describing the temperature variation of electrical resistivity and thermoelectric power of transition metal-based MGs. We demonstrate that the measured temperature variations of electrical resistivity and TEP remain in a contradiction with this model. On the other hand, the experimental temperature dependence of electrical resistivity can be explained by incipient localization of conduction electrons. It is shown that weak localization model works up to relatively high temperatures when localization is destroyed by phonons. Our results indicate that electron transport properties of Cu-Zr MGs are dominated by localization effects rather than by electronic structure. We suggest that NFE model fails to explain a relatively high glass-forming ability of binary Cu-Zr alloys.

  7. Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses

    SciTech Connect

    Antonowicz, J. Pietnoczka, A.; Pękała, K.; Latuch, J.; Evangelakis, G. A.

    2014-05-28

    We studied atomic and electronic structures of binary Cu-Zr metallic glasses (MGs) using combined experimental and computational methods including X-ray absorption fine structure spectroscopy, electrical resistivity, thermoelectric power (TEP) measurements, molecular dynamics (MD) simulations, and ab-initio calculations. The results of MD simulations and extended X-ray absorption fine structure analysis indicate that atomic order of Cu-Zr MGs and can be described in terms of interpenetrating icosahedral-like clusters involving five-fold symmetry. MD configurations were used as an input for calculations of theoretical electronic density of states (DOS) functions which exhibits good agreement with the experimental X-ray absorption near-edge spectra. We found no indication of minimum of DOS at Fermi energy predicted by Mott's nearly free electron (NFE) model for glass-forming alloys. The theoretical DOS was subsequently used to test Mott's model describing the temperature variation of electrical resistivity and thermoelectric power of transition metal-based MGs. We demonstrate that the measured temperature variations of electrical resistivity and TEP remain in a contradiction with this model. On the other hand, the experimental temperature dependence of electrical resistivity can be explained by incipient localization of conduction electrons. It is shown that weak localization model works up to relatively high temperatures when localization is destroyed by phonons. Our results indicate that electron transport properties of Cu-Zr MGs are dominated by localization effects rather than by electronic structure. We suggest that NFE model fails to explain a relatively high glass-forming ability of binary Cu-Zr alloys.

  8. Impact of Short-Range Forces on Defect Production from High-Energy Collisions

    SciTech Connect

    Stoller, R. E.; Tamm, A.; Béland, L. K.; Samolyuk, G. D.; Stocks, G. M.; Caro, A.; Slipchenko, L. V.; Osetsky, Yu. N.; Aabloo, A.; Klintenberg, M.; Wang, Y.

    2016-04-25

    Primary radiation damage formation in solid materials typically involves collisions between atoms that have up to a few hundred keV of kinetic energy. The distance between two colliding atoms can approach 0.05 nm during these collisions. At such small atomic separations, force fields fitted to equilibrium properties tend to significantly underestimate the potential energy of the colliding dimer. To enable molecular dynamics simulations of high-energy collisions, it is common practice to use a screened Coulomb force field to describe the interactions and to smoothly join this to the equilibrium force field at a suitable interatomic spacing. But, there is no accepted standard method for choosing the parameters used in the joining process, and our results prove that defect production is sensitive to how the force fields are linked. A new procedure is presented that involves the use of ab initio calculations to determine the magnitude and spatial dependence of the pair interactions at intermediate distances, along with systematic criteria for choosing the joining parameters. Results are presented for the case of nickel, which demonstrate the use and validity of the procedure.

  9. Impact of Short-Range Forces on Defect Production from High-Energy Collisions

    DOE PAGES

    Stoller, R. E.; Tamm, A.; Béland, L. K.; ...

    2016-04-25

    Primary radiation damage formation in solid materials typically involves collisions between atoms that have up to a few hundred keV of kinetic energy. The distance between two colliding atoms can approach 0.05 nm during these collisions. At such small atomic separations, force fields fitted to equilibrium properties tend to significantly underestimate the potential energy of the colliding dimer. To enable molecular dynamics simulations of high-energy collisions, it is common practice to use a screened Coulomb force field to describe the interactions and to smoothly join this to the equilibrium force field at a suitable interatomic spacing. But, there is nomore » accepted standard method for choosing the parameters used in the joining process, and our results prove that defect production is sensitive to how the force fields are linked. A new procedure is presented that involves the use of ab initio calculations to determine the magnitude and spatial dependence of the pair interactions at intermediate distances, along with systematic criteria for choosing the joining parameters. Results are presented for the case of nickel, which demonstrate the use and validity of the procedure.« less

  10. Hydrodynamic interactions enhance gelation in dispersions of colloids with short-ranged attraction and long-ranged repulsion.

    PubMed

    Varga, Zsigmond; Swan, James

    2016-09-28

    We show that discrete element simulations of colloidal gelation must account for hydrodynamic interactions between suspended particles through investigation of gelation in a dispersion of colloids interacting pair-wise via short-ranged attraction and long-ranged repulsion (SALR). These dynamic simulations juxtapose self-assembly with and without hydrodynamic interactions between the particles. The long-ranged repulsion impacts the relative rates of coagulation and compaction of colloidal aggregates pre-gel, and introduces a surprising sensitivity to the nature of hydrodynamic interactions between the suspended colloids. For such SALR dispersions, we observe a significant disparity between the percolation boundaries predicted by simulations including and neglecting long-ranged hydrodynamic interactions. Additionally, we find that the percolation boundaries predicted by simulations including hydrodynamic interactions agree well with those measured experimentally. Long-ranged repulsion promotes gelation via growth of anisotropic clusters regardless of the hydrodynamic model employed. However, differences between the models, which persist far from the percolation boundary, are apparent via measurements of the fractal dimension, local bond order parameters, and the collective relaxation dynamics. Notably, the growth of elongated clusters is augmented in simulations that incorporate long-ranged hydrodynamic interactions due to the anisotropic diffusion of elongated bodies at low Reynolds numbers, which favors percolation over a transition of anisotropic clusters to their more isotropic ground states. It is only in relatively dense suspensions that a combination of hydrodynamic screening and significantly faster aggregation combine to bring the two simulation methods into agreement. These results demonstrate the necessity of long-ranged hydrodynamic forces in discrete element simulations of heterogeneous gelation at the colloidal scale.

  11. Direct force measurements reveal that protein Tau confers short-range attractions and isoform-dependent steric stabilization to microtubules

    PubMed Central

    Chung, Peter J.; Choi, Myung Chul; Miller, Herbert P.; Feinstein, H. Eric; Raviv, Uri; Li, Youli; Wilson, Leslie; Feinstein, Stuart C.; Safinya, Cyrus R.

    2015-01-01

    Microtubules (MTs) are hollow cytoskeletal filaments assembled from αβ-tubulin heterodimers. Tau, an unstructured protein found in neuronal axons, binds to MTs and regulates their dynamics. Aberrant Tau behavior is associated with neurodegenerative dementias, including Alzheimer’s. Here, we report on a direct force measurement between paclitaxel-stabilized MTs coated with distinct Tau isoforms by synchrotron small-angle X-ray scattering (SAXS) of MT-Tau mixtures under osmotic pressure (P). In going from bare MTs to MTs with Tau coverage near the physiological submonolayer regime (Tau/tubulin-dimer molar ratio; ΦTau = 1/10), isoforms with longer N-terminal tails (NTTs) sterically stabilized MTs, preventing bundling up to PB ∼ 10,000–20,000 Pa, an order of magnitude larger than bare MTs. Tau with short NTTs showed little additional effect in suppressing the bundling pressure (PB ∼ 1,000–2,000 Pa) over the same range. Remarkably, the abrupt increase in PB observed for longer isoforms suggests a mushroom to brush transition occurring at 1/13 < ΦTau < 1/10, which corresponds to MT-bound Tau with NTTs that are considerably more extended than SAXS data for Tau in solution indicate. Modeling of Tau-mediated MT–MT interactions supports the hypothesis that longer NTTs transition to a polyelectrolyte brush at higher coverages. Higher pressures resulted in isoform-independent irreversible bundling because the polyampholytic nature of Tau leads to short-range attractions. These findings suggest an isoform-dependent biological role for regulation by Tau, with longer isoforms conferring MT steric stabilization against aggregation either with other biomacromolecules or into tight bundles, preventing loss of function in the crowded axon environment. PMID:26542680

  12. Bond order via light-induced synthetic many-body interactions of ultracold atoms in optical lattices

    NASA Astrophysics Data System (ADS)

    Caballero-Benitez, Santiago F.; Mekhov, Igor B.

    2016-11-01

    We show how bond order emerges due to light mediated synthetic interactions in ultracold atoms in optical lattices in an optical cavity. This is a consequence of the competition between both short- and long-range interactions designed by choosing the optical geometry. Light induces effective many-body interactions that modify the landscape of quantum phases supported by the typical Bose-Hubbard model. Using exact diagonalization of small system sizes in one-dimension, we present the many-body quantum phases the system can support via the interplay between the density and bond (or matter-wave coherence) interactions. We find numerical evidence to support that dimer phases due to bond order are analogous to valence bond states. Different possibilities of light-induced atomic interactions are considered that go beyond the typical atomic system with dipolar and other intrinsic interactions. This will broaden the Hamiltonian toolbox available for quantum simulation of condensed matter physics via atomic systems.

  13. Impacts of Amazonia biomass burning aerosols assessed from short-range weather forecasts

    NASA Astrophysics Data System (ADS)

    Kolusu, S. R.; Marsham, J. H.; Mulcahy, J.; Johnson, B.; Dunning, C.; Bush, M.; Spracklen, D. V.

    2015-07-01

    The direct radiative impacts of Biomass Burning Aerosols (BBA) on meteorology are investigated using short-range forecasts from the Met Office Unified Model (MetUM) over South America during the South American Biomass Burning Analysis (SAMBBA). The impacts are evaluated using a set of three simulations: (i) no aerosols, (ii) with monthly mean aerosol climatologies and (iii) with prognostic aerosols modelled using the Coupled Large-scale Aerosol Simulator for Studies in Climate (CLASSIC) scheme. Comparison with observations show that the prognostic CLASSIC scheme provides the best representation of BBA. The impacts of BBA are quantified over central and southern Amazonia from the first and second day of two day forecasts during 14 September-03 October 2012. On average, during the first day of the forecast, including prognostic BBA reduces the clear-sky net radiation at the surface by 15 ± 1 W m-2, and reduces net TOA radiation by 8 ± 1 W m-2, with a direct atmospheric warming of 7 ± 1 W m-2. BBA-induced reductions in all-sky radiation are smaller in magnitude: 9.0 ± 1 W m-2 at the surface and 4.0 ± 1 W m-2 at TOA. In this modelling study the BBA therefore exert an overall cooling influence on the Earth-atmosphere system, although some levels of the atmosphere are directly warmed by the absorption of solar radiation. Due to the reduction of net radiative flux at the surface the mean 2 m air temperature is reduced by around 0.1 ± 0.02 °C. The BBA also cools the boundary layer (BL) but warms air above by around 0.2 °C due to the absorption of shortwave radiation. The overall impact is to reduce the BL depth by around 19 ± 8 m. These differences in heating lead to a more anticyclonic circulation at 700 hPa, with winds changing by around 0.6 m s-1. Inclusion of BBA in the MetUM significantly improves forecasts of temperature and relative humidity, but effects were small compared with model error and differences between effects from climatological and prognostic

  14. Impacts of Amazonia biomass burning aerosols assessed from short-range weather forecasts

    NASA Astrophysics Data System (ADS)

    Kolusu, S. R.; Marsham, J. H.; Mulcahy, J.; Johnson, B.; Dunning, C.; Bush, M.; Spracklen, D. V.

    2015-11-01

    The direct radiative impacts of biomass burning aerosols (BBA) on meteorology are investigated using short-range forecasts from the Met Office Unified Model (MetUM) over South America during the South American Biomass Burning Analysis (SAMBBA). The impacts are evaluated using a set of three simulations: (i) no aerosols, (ii) with monthly mean aerosol climatologies and (iii) with prognostic aerosols modelled using the Coupled Large-scale Aerosol Simulator for Studies In Climate (CLASSIC) scheme. Comparison with observations show that the prognostic CLASSIC scheme provides the best representation of BBA. The impacts of BBA are quantified over central and southern Amazonia from the first and second day of 2-day forecasts during 14 September-3 October 2012. On average, during the first day of the forecast, including prognostic BBA reduces the clear-sky net radiation at the surface by 15 ± 1 W m-2 and reduces net top-of-atmosphere (TOA) radiation by 8 ± 1 W m-2, with a direct atmospheric warming of 7 ± 1 W m-2. BBA-induced reductions in all-sky radiation are smaller in magnitude: 9.0 ± 1 W m-2 at the surface and 4.0 ± 1 W m-2 at TOA. In this modelling study the BBA therefore exert an overall cooling influence on the Earth-atmosphere system, although some levels of the atmosphere are directly warmed by the absorption of solar radiation. Due to the reduction of net radiative flux at the surface, the mean 2 m air temperature is reduced by around 0.1 ± 0.02 °C. The BBA also cools the boundary layer (BL) but warms air above by around 0.2 °C due to the absorption of shortwave radiation. The overall impact is to reduce the BL depth by around 19 ± 8 m. These differences in heating lead to a more anticyclonic circulation at 700 hPa, with winds changing by around 0.6 m s-1. Inclusion of climatological or prognostic BBA in the MetUM makes a small but significant improvement in forecasts of temperature and relative humidity, but improvements were small compare with model

  15. Investigation of short range charge and spin correlation in Pr{sub 0.67}Ca{sub 0.33}MnO{sub 3} nanoparticles

    SciTech Connect

    Shukla, Vinay Kumar Mukhopadhyay, Soumik

    2015-06-24

    The particle size effects on charge and spin correlation were studied for Pr{sub 0.67}Ca{sub 0.33}MnO{sub 3}(PCMO) by Electron Paramagnetic Resonance spectroscopy. Magnetization measurements suggests long range charge/orbital ordering (CO/OO) in bulk Pr{sub 0.67}Ca{sub 0.33}MnO{sub 3} at T ∼230 K and antiferromagnetic (AFM) ordering at T∼140K. With the reduction of particle size, CO is suppressed, AFM ordering gives way to ferromagnetic (FM) ordering. We find that with the reduction of particle size in Pr{sub 0.67}Ca{sub 0.33}MnO{sub 3} nanoparticles, the short range correlation in charge and associated spin degrees of freedom also gets suppressed.

  16. A journey from order to disorder - atom by atom transformation from graphene to a 2D carbon glass.

    PubMed

    Eder, Franz R; Kotakoski, Jani; Kaiser, Ute; Meyer, Jannik C

    2014-02-11

    One of the most interesting questions in solid state theory is the structure of glass, which has eluded researchers since the early 1900's. Since then, two competing models, the random network theory and the crystallite theory, have both gathered experimental support. Here, we present a direct, atomic-level structural analysis during a crystal-to-glass transformation, including all intermediate stages. We introduce disorder on a 2D crystal, graphene, gradually, utilizing the electron beam of a transmission electron microscope, which allows us to capture the atomic structure at each step. The change from a crystal to a glass happens suddenly, and at a surprisingly early stage. Right after the transition, the disorder manifests as a vitreous network separating individual crystallites, similar to the modern version of the crystallite theory. However, upon increasing disorder, the vitreous areas grow on the expense of the crystallites and the structure turns into a random network. Thereby, our results show that, at least in the case of a 2D structure, both of the models can be correct, and can even describe the same material at different degrees of disorder.

  17. An intercomparison of models used to simulate the short-range atmospheric dispersion of agricultural ammonia emissions

    EPA Science Inventory

    Ammonia emitted into the atmosphere from agricultural sources can have an impact on nearby sensitive ecosystems either through elevated ambient concentrations or dry/wet deposition to vegetation and soil surfaces. Short-range atmospheric dispersion models are often used to assess...

  18. Higher-order effects on uncertainties of clocks of Mg atoms in an optical lattice

    NASA Astrophysics Data System (ADS)

    Ovsiannikov, V. D.; Marmo, S. I.; Mokhnenko, S. N.; Palchikov, V. G.

    2017-01-01

    Multipole, nonlinear and anharmonic effects on the optical-lattice-based clocks of Mg atoms are evaluated theoretically. Dipole polarizabilities, hyperpolarizabilities and multipolar polarizabilities for Mg atoms are calculated in the single-electron approximation with the use of analytical presentations for the wave and Green’s functions in the modified model-potential approach. For comparison, the data are also given for atoms of the group IIb elements (Zn, Cd, Hg).

  19. MINT: software to identify motifs and short-range interactions in trajectories of nucleic acids

    PubMed Central

    Górska, Anna; Jasiński, Maciej; Trylska, Joanna

    2015-01-01

    Structural biology experiments and structure prediction tools have provided many high-resolution three-dimensional structures of nucleic acids. Also, molecular dynamics force field parameters have been adapted to simulating charged and flexible nucleic acid structures on microsecond time scales. Therefore, we can generate the dynamics of DNA or RNA molecules, but we still lack adequate tools for the analysis of the resulting huge amounts of data. We present MINT (Motif Identifier for Nucleic acids Trajectory) — an automatic tool for analyzing three-dimensional structures of RNA and DNA, and their full-atom molecular dynamics trajectories or other conformation sets (e.g. X-ray or nuclear magnetic resonance-derived structures). For each RNA or DNA conformation MINT determines the hydrogen bonding network resolving the base pairing patterns, identifies secondary structure motifs (helices, junctions, loops, etc.) and pseudoknots. MINT also estimates the energy of stacking and phosphate anion-base interactions. For many conformations, as in a molecular dynamics trajectory, MINT provides averages of the above structural and energetic features and their evolution. We show MINT functionality based on all-atom explicit solvent molecular dynamics trajectory of the 30S ribosomal subunit. PMID:26024667

  20. Pump-probe study of atoms and small molecules with laser driven high order harmonics

    NASA Astrophysics Data System (ADS)

    Cao, Wei

    A commercially available modern laser can emit over 1015 photons within a time window of a few tens of femtoseconds (10-15second), which can be focused into a spot size of about 10 mum, resulting in a peak intensity above 1014W/cm2. This paves the way for table-top strong field physics studies such as above threshold ionization (ATI), non-sequential double ionization (NSDI), high order harmonic generation (HHG), etc.. Among these strong laser-matter interactions, high order harmonic generation, which combines many photons of the fundamental laser field into a single photon, offers a unique way to generate light sources in the vacuum ultraviolet (VUV) or extreme ultraviolet (EUV) region. High order harmonic photons are emitted within a short time window from a few tens of femtoseconds down to a few hundreds of attoseconds (10 -18second). This highly coherent nature of HHG allows it to be synchronized with an infrared (IR) laser pulse, and the pump-probe technique can be adopted to study ultrafast dynamic processes in a quantum system. The major work of this thesis is to develop a table-top VUV(EUV) light source based on HHG, and use it to study dynamic processes in atoms and small molecules with the VUV(EUV)-pump IR-probe method. A Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) apparatus is used for momentum imaging of the interaction products. Two types of high harmonic pump pulses are generated and applied for pump-probe studies. The first one consists of several harmonics forming a short attosecond pulse train (APT) in the EUV regime (around 40 eV). We demonstrate that, (1) the auto-ionization process triggered by the EUV in cation carbon-monoxide and oxygen molecules can be modified by scanning the EUV-IR delay, (2) the phase information of quantum trajectories in bifurcated high harmonics can be extracted by performing an EUV-IR cross-correlation experiment, thus disclosing the macroscopic quantum control in HHG. The second type of high harmonic source

  1. Visualizing short-range charge transfer at the interfaces between ferromagnetic and superconducting oxides.

    PubMed

    Chien, Te Yu; Kourkoutis, Lena F; Chakhalian, Jak; Gray, Benjamin; Kareev, Michael; Guisinger, Nathan P; Muller, David A; Freeland, John W

    2013-01-01

    The interplay between antagonistic superconductivity and ferromagnetism has been a interesting playground to explore the interaction between competing ground states. Although this effect in systems of conventional superconductors is better understood, the framework of the proximity effect at complex-oxide-based superconductor/ferromagnet interfaces is not so clear. The main difficulty originates from the lack of experimental tools capable of probing the interfaces directly with high spatial resolution. Here we harness cross-sectional scanning tunnelling microscopy and spectroscopy together with atomic-resolution electron microscopy to understand the buried interfaces between cuprate and manganite layers. The results show that the fundamental length scale of the electronic evolution between YBa2Cu3O(7-δ) (YBCO) and La2/3Ca1/3MnO3 (LCMO) is confined to the subnanometre range. Our findings provide a complete and direct microscopic picture of the electronic transition across the YBCO/LCMO interfaces, which is an important step towards understanding the competition between ferromagnetism and superconductivity in complex-oxide heterostructures.

  2. Short-range and long-range correlations in DIS at HERA.

    SciTech Connect

    Chekanov, S. V.; Zawiejski, L.

    1999-09-23

    Correlations in deep-inelastic scattering (DIS) at HERA are investigated in order to test perturbative QCD and quark fragmentation universality. Two-particle correlations at small angular separations are measured in the Breit frame and compared to e{sup +}e{sup -} collisions. Also presented are the correlations between the current and target regions of the Breit frame.

  3. Get Your Atoms in Order--An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm.

    PubMed

    Schneider, Nadine; Sayle, Roger A; Landrum, Gregory A

    2015-10-26

    Finding a canonical ordering of the atoms in a molecule is a prerequisite for generating a unique representation of the molecule. The canonicalization of a molecule is usually accomplished by applying some sort of graph relaxation algorithm, the most common of which is the Morgan algorithm. There are known issues with that algorithm that lead to noncanonical atom orderings as well as problems when it is applied to large molecules like proteins. Furthermore, each cheminformatics toolkit or software provides its own version of a canonical ordering, most based on unpublished algorithms, which also complicates the generation of a universal unique identifier for molecules. We present an alternative canonicalization approach that uses a standard stable-sorting algorithm instead of a Morgan-like index. Two new invariants that allow canonical ordering of molecules with dependent chirality as well as those with highly symmetrical cyclic graphs have been developed. The new approach proved to be robust and fast when tested on the 1.45 million compounds of the ChEMBL 20 data set in different scenarios like random renumbering of input atoms or SMILES round tripping. Our new algorithm is able to generate a canonical order of the atoms of protein molecules within a few milliseconds. The novel algorithm is implemented in the open-source cheminformatics toolkit RDKit. With this paper, we provide a reference Python implementation of the algorithm that could easily be integrated in any cheminformatics toolkit. This provides a first step toward a common standard for canonical atom ordering to generate a universal unique identifier for molecules other than InChI.

  4. Development and application of a water calorimeter for the absolute dosimetry of short-range particle beams

    NASA Astrophysics Data System (ADS)

    Renaud, J.; Rossomme, S.; Sarfehnia, A.; Vynckier, S.; Palmans, H.; Kacperek, A.; Seuntjens, J.

    2016-09-01

    In this work, we describe a new design of water calorimeter built to measure absorbed dose in non-standard radiation fields with reference depths in the range of 6-20 mm, and its initial testing in clinical electron and proton beams. A functioning calorimeter prototype with a total water equivalent thickness of less than 30 mm was constructed in-house and used to obtain measurements in clinical accelerator-based 6 MeV and 8 MeV electron beams and cyclotron-based 60 MeV monoenergetic and modulated proton beams. Corrections for the conductive heat transfer due to dose gradients and non-water materials was also accounted for using a commercial finite element method software package. Absorbed dose to water was measured with an associated type A standard uncertainty of approximately 0.4% and 0.2% for the electron and proton beam experiments, respectively. In terms of thermal stability, drifts were on the order of a couple of hundred µK min-1, with a short-term variation of 5-10 µK. Heat transfer correction factors ranged between 1.021 and 1.049. The overall combined standard uncertainty on the absorbed dose to water was estimated to be 0.6% for the 6 MeV and 8 MeV electron beams, as well as for the 60 MeV monoenergetic protons, and 0.7% for the modulated 60 MeV proton beam. This study establishes the feasibility of developing an absorbed dose transfer standard for short-range clinical electrons and protons and forms the basis for a transportable dose standard for direct calibration of ionization chambers in the user’s beam. The largest contributions to the combined standard uncertainty were the positioning (⩽0.5%) and the correction due to conductive heat transfer (⩽0.4%). This is the first time that water calorimetry has been used in such a low energy proton beam.

  5. Long- and/or short-range transportation of local Asian aerosols in DRAGON-Osaka Experiment

    NASA Astrophysics Data System (ADS)

    Nakata, M.; Sano, I.; Mukai, S.; Holben, B. N.

    2013-12-01

    same day afternoon, large value of PM mass concentration was measured in Osaka. It is found from the simultaneous measurements of atmospheric particles, especially those on March 11, which present the maximum efficiency of DRAGON-Osaka, and numerical model simulations indicate that the long- and/or short- range transportation factors influence the characterization of atmospheric particles.

  6. Magnetic ordering and exchange interactions in structural modifications of M n3Ga alloys: Interplay of frustration, atomic order, and off-stoichiometry

    NASA Astrophysics Data System (ADS)

    Khmelevskyi, Sergii; Ruban, Andrei V.; Mohn, Peter

    2016-05-01

    Mn-Ga alloys close to the M n3Ga stoichiometry can be synthesized in three different crystal modifications: hexagonal, tetragonal, and face-centered cubic, both in bulk and in thin-film forms. The magnetic ordering of these modifications is varying from noncollinear antiferromagnetic in the hexagonal case to ferrimagnetic order in the tetragonal one, whereas it is still unknown for the atomically disordered fcc structure. Here we study the onset of magnetic order at finite temperatures in these systems on a first-principles basis calculating the interatomic magnetic exchange interactions in the high-temperature paramagnetic regime. We employ the disordered local moment formalism and the magnetic force theorem within the framework of the local spin-density approximation and Monte Carlo simulations taking also the effects of atomic disorder in fcc alloys into account. In particular we find the origin of the stabilization of the noncollinear 3 k structure in competition between antiferromagnetic inter- and in-plane couplings of frustrated kagome planes in hexagonal M n3Ga and predict the antiferromagnetic-1 collinear order due to frustration in fcc alloys. Special attention is paid to the effects of the off-stoichiometry and the consequences of atomic disorder. We calculate the site-preference energy of Ga antisite atoms in the tetragonal structures in the range of the compositions from M n3Ga to M n2Ga and slightly beyond and confirm the earlier explanation of the effect of magnetization increase due to Ga preferentially occupying one of the Mn sites.

  7. Photoluminescence polarization anisotropy for studying long-range structural ordering within semiconductor multi-atomic alloys and organic crystals

    SciTech Connect

    Prutskij, T.; Percino, J.; Orlova, T.; Vavilova, L.

    2013-12-04

    Long-range structural ordering within multi-component semiconductor alloys and organic crystals leads to significant optical anisotropy and, in particular, to anisotropy of the photoluminescence (PL) emission. The PL emission of ternary and quaternary semiconductor alloys is polarized if there is some amount of the atomic ordering within the crystal structure. We analyze the polarization of the PL emission from the quaternary GaInAsP semiconductor alloy grown by Liquid Phase Epitaxy (LPE) and conclude that it could be caused by low degree atomic ordering within the crystal structure together with the thermal biaxial strain due to difference between the thermal expansion coefficients of the layer and the substrate. We also study the state of polarization of the PL from organic crystals in order to identify different features of the crystal PL spectrum.

  8. Obtaining of images of ordered and disordered nanocrystal structures by atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Parfenov, P. S.; Litvin, A. P.; Ushakova, E. V.; Fedorov, A. V.; Baranov, A. V.

    2017-01-01

    The morphology of films, superlattices, and other structures of colloidal nanocrystals has been investigated by atomic force microscopy (AFM). The capabilities of ultrasharp and conventional probes for AFM are compared. The problems of detection of nanocrystal close packing are discussed.

  9. Longitudinal and transverse coupling in infrared gold nanoantenna arrays: long range versus short range interaction regimes

    NASA Astrophysics Data System (ADS)

    Weber, Daniel; Albella, Pablo; Alonso-González, Pablo; Neubrech, Frank; Gui, Han; Nagao, Tadaaki; Hillenbrand, Rainer; Aizpurua, Javier; Pucci, Annemarie

    2011-08-01

    Interaction between micrometer-long nanoantennas within an array considerably modifies the plasmonic resonant behaviour; for fundamental resonances in the infrared already at micrometer distances. In order to get systematic knowledge on the relationship between infrared plasmonic resonances and separation distances dx and dy in longitudinal and transverse direction, respectively, we experimentally studied the optical extinction spectra for rectangularly ordered lithographic gold nanorod arrays on silicon wafers. For small dy, strong broadening of resonances and strongly decreased values of far-field extinction are detected which come along with a decreased near-field intensity, as indicated by near-field amplitude maps of the interacting nanoantennas. In contrast, near-field interaction over small dx does only marginally broaden the resonance. Our findings set a path for optimum design of rectangular nanorod lattices for surface enhanced infrared spectroscopy.

  10. Fractal atomic-level percolation in metallic glasses.

    PubMed

    Chen, David Z; Shi, Crystal Y; An, Qi; Zeng, Qiaoshi; Mao, Wendy L; Goddard, William A; Greer, Julia R

    2015-09-18

    Metallic glasses are metallic alloys that exhibit exotic material properties. They may have fractal structures at the atomic level, but a physical mechanism for their organization without ordering has not been identified. We demonstrated a crossover between fractal short-range (<2 atomic diameters) and homogeneous long-range structures using in situ x-ray diffraction, tomography, and molecular dynamics simulations. A specific class of fractal, the percolation cluster, explains the structural details for several metallic-glass compositions. We postulate that atoms percolate in the liquid phase and that the percolating cluster becomes rigid at the glass transition temperature.

  11. How do parcellation size and short-range connectivity affect dynamics in large-scale brain network models?

    PubMed

    Proix, Timothée; Spiegler, Andreas; Schirner, Michael; Rothmeier, Simon; Ritter, Petra; Jirsa, Viktor K

    2016-11-15

    Recent efforts to model human brain activity on the scale of the whole brain rest on connectivity estimates of large-scale networks derived from diffusion magnetic resonance imaging (dMRI). This type of connectivity describes white matter fiber tracts. The number of short-range cortico-cortical white-matter connections is, however, underrepresented in such large-scale brain models. It is still unclear on the one hand, which scale of representation of white matter fibers is optimal to describe brain activity on a large-scale such as recorded with magneto- or electroencephalography (M/EEG) or functional magnetic resonance imaging (fMRI), and on the other hand, to which extent short-range connections that are typically local should be taken into account. In this article we quantified the effect of connectivity upon large-scale brain network dynamics by (i) systematically varying the number of brain regions before computing the connectivity matrix, and by (ii) adding generic short-range connections. We used dMRI data from the Human Connectome Project. We developed a suite of preprocessing modules called SCRIPTS to prepare these imaging data for The Virtual Brain, a neuroinformatics platform for large-scale brain modeling and simulations. We performed simulations under different connectivity conditions and quantified the spatiotemporal dynamics in terms of Shannon Entropy, dwell time and Principal Component Analysis. For the reconstructed connectivity, our results show that the major white matter fiber bundles play an important role in shaping slow dynamics in large-scale brain networks (e.g. in fMRI). Faster dynamics such as gamma oscillations (around 40 Hz) are sensitive to the short-range connectivity if transmission delays are considered.

  12. Evidence against a mean-field description of short-range spin glasses revealed through thermal boundary conditions

    NASA Astrophysics Data System (ADS)

    Wang, Wenlong; Machta, Jonathan; Katzgraber, Helmut G.

    2014-11-01

    A theoretical description of the low-temperature phase of short-range spin glasses has remained elusive for decades. In particular, it is unclear if theories that assert a single pair of pure states, or theories that are based on infinitely many pure states—such as replica symmetry breaking—best describe realistic short-range systems. To resolve this controversy, the three-dimensional Edwards-Anderson Ising spin glass in thermal boundary conditions is studied numerically using population annealing Monte Carlo. In thermal boundary conditions all eight combinations of periodic vs antiperiodic boundary conditions in the three spatial directions appear in the ensemble with their respective Boltzmann weights, thus minimizing finite-size corrections due to domain walls. From the relative weighting of the eight boundary conditions for each disorder instance a sample stiffness is defined, and its typical value is shown to grow with system size according to a stiffness exponent. An extrapolation to the large-system-size limit is in agreement with a description that supports the droplet picture and other theories that assert a single pair of pure states. The results are, however, incompatible with the mean-field replica symmetry breaking picture, thus highlighting the need to go beyond mean-field descriptions to accurately describe short-range spin-glass systems.

  13. Monolithically integrated quantum dot optical modulator with Semiconductor optical amplifier for short-range optical communications

    NASA Astrophysics Data System (ADS)

    Yamamoto, Naokatsu; Akahane, Kouichi; Umezawa, Toshimasa; Kawanishi, Tetsuya

    2015-04-01

    A monolithically integrated quantum dot (QD) optical gain modulator (OGM) with a QD semiconductor optical amplifier (SOA) was successfully developed. Broadband QD optical gain material was used to achieve Gbps-order high-speed optical data transmission, and an optical gain change as high as approximately 6-7 dB was obtained with a low OGM voltage of 2.0 V. Loss of optical power due to insertion of the device was also effectively compensated for by the SOA section. Furthermore, it was confirmed that the QD-OGM/SOA device helped achieve 6.0-Gbps error-free optical data transmission over a 2.0-km-long photonic crystal fiber. We also successfully demonstrated generation of Gbps-order, high-speed, and error-free optical signals in the >5.5-THz broadband optical frequency bandwidth larger than the C-band. These results suggest that the developed monolithically integrated QD-OGM/SOA device will be an advantageous and compact means of increasing the usable optical frequency channels for short-reach communications.

  14. Atom and Amine Adsorption on Flat and Stepped Gold Surfaces & Structure, Stability and Spin Ordering in Manganese Sulfide Clusters

    NASA Astrophysics Data System (ADS)

    Lewoczko, April D.

    In part I, we investigate gold catalysis in the chemistry of organonitrogen compounds. We examine the adsorption of oxygen, nitrogen and sulfur atoms on the gold (111), (100) and (211) surfaces using density functional theory (DFT). Sulfur atoms bind most strongly, followed by oxygen and nitrogen atoms with stronger adsorption for greater coordination to the surface. We see a trend of stronger adsorption to undercoordinated gold, but find it is non-universal with the adsorption strength trend: (111) > (211) > (100). We consider the diffusion of oxygen, nitrogen and sulfur adatoms and find facile long-range diffusion of oxygen atoms on the (100) surface. Lastly, we compare the adsorption of methylamine on gold to that of a selection of alkylamines, methanol and methanethiol. In each case, the ontop site is preferred with stronger adsorption at low coordinated gold. At oxygen atom coverages of 0.125 -- 0.25 ML on Au (111), we find cooperative adsorption of methylamine and oxygen atoms. Energetic costs for adsorbate tilt from the surface normal and rotation about the gold-nitrogen bond are calculated. While methylamine rotation is barrierless on the (111) and (211) surfaces, it has a low energetic barrier for the 0.125 ML and 0.25 ML O atom pre-covered Au (111) surfaces. In part II, we interpret the experimental mass spectrum of small gas phase manganese sulfide clusters using DFT and elucidate the role of ionicity and spin ordering in sizes with special stability, i.e. magic clusters. We first consider nine low lying minima (MnS)6 structures and reveal antiferromagnetic (AFM) spin ordering with a ˜0.1 eV/pair AFM energy benefit and a ˜0.1 A shrinkage of average Mn-Mn distances over clusters with ferromagnetic (FM) spin ordering. We calculate energetic barriers for interconversion between the two lowest lying (MnS)6 isomers and predict an elevated cluster melting temperature due to increased configurational entropy in a pre-melted state. Second, we demonstrate the

  15. Short range, ultra-wideband radar with high resolution swept range gate

    DOEpatents

    McEwan, T.E.

    1998-05-26

    A radar range finder and hidden object locator is based on ultra-wide band radar with a high resolution swept range gate. The device generates an equivalent time amplitude scan with a typical range of 4 inches to 20 feet, and an analog range resolution as limited by a jitter of on the order of 0.01 inches. A differential sampling receiver is employed to effectively eliminate ringing and other aberrations induced in the receiver by the near proximity of the transmit antenna, so a background subtraction is not needed, simplifying the circuitry while improving performance. Uses of the invention include a replacement of ultrasound devices for fluid level sensing, automotive radar, such as cruise control and parking assistance, hidden object location, such as stud and rebar finding. Also, this technology can be used when positioned over a highway lane to collect vehicle count and speed data for traffic control. 14 figs.

  16. Short range, ultra-wideband radar with high resolution swept range gate

    DOEpatents

    McEwan, Thomas E.

    1998-05-26

    A radar range finder and hidden object locator is based on ultra-wide band radar with a high resolution swept range gate. The device generates an equivalent time amplitude scan with a typical range of 4 inches to 20 feet, and an analog range resolution as limited by a jitter of on the order of 0.01 inches. A differential sampling receiver is employed to effectively eliminate ringing and other aberrations induced in the receiver by the near proximity of the transmit antenna, so a background subtraction is not needed, simplifying the circuitry while improving performance. Uses of the invention include a replacement of ultrasound devices for fluid level sensing, automotive radar, such as cruise control and parking assistance, hidden object location, such as stud and rebar finding. Also, this technology can be used when positioned over a highway lane to collect vehicle count and speed data for traffic control.

  17. Critical properties of short-range Ising spin glasses on a Wheatstone-bridge hierarchical lattice

    NASA Astrophysics Data System (ADS)

    Almeida, Sebastião T. O.; Nobre, Fernando D.

    2015-08-01

    An Ising spin-glass model with nearest-neighbor interactions, following a symmetric probability distribution, is investigated on a hierarchical lattice of the Wheatstone-bridge family characterized by a fractal dimension D ≈3.58 . The interaction distribution considered is a stretched exponential, which has been shown recently to be very close to the fixed-point coupling distribution, and such a model has been considered lately as a good approach for Ising spin glasses on a cubic lattice. An exact recursion procedure is implemented for calculating site magnetizations, mi=T , as well as correlations between pairs of nearest-neighbor spins, T (<>T denote thermal averages), for a given set of interaction couplings on this lattice. From these local magnetizations and correlations, one can compute important physical quantities, such as the Edwards-Anderson order parameter, the internal energy, and the specific heat. Considering extrapolations to the thermodynamic limit for the order parameter, such as a finite-size scaling approach, it is possible to obtain directly the critical temperature and critical exponents. The transition between the spin-glass and paramagnetic phases is analyzed, and the associated critical exponents β and ν are estimated as β =0.82 (5 ) and ν =2.50 (4 ) , which are in good agreement with the most recent results from extensive numerical simulations on a cubic lattice. Since these critical exponents were obtained from a fixed-point distribution, they are universal, i.e., valid for any coupling distribution considered.

  18. Critical properties of short-range Ising spin glasses on a Wheatstone-bridge hierarchical lattice.

    PubMed

    Almeida, Sebastião T O; Nobre, Fernando D

    2015-08-01

    An Ising spin-glass model with nearest-neighbor interactions, following a symmetric probability distribution, is investigated on a hierarchical lattice of the Wheatstone-bridge family characterized by a fractal dimension D≈3.58. The interaction distribution considered is a stretched exponential, which has been shown recently to be very close to the fixed-point coupling distribution, and such a model has been considered lately as a good approach for Ising spin glasses on a cubic lattice. An exact recursion procedure is implemented for calculating site magnetizations, mi=〈Si〉T, as well as correlations between pairs of nearest-neighbor spins, 〈SiSj〉T (〈〉T denote thermal averages), for a given set of interaction couplings on this lattice. From these local magnetizations and correlations, one can compute important physical quantities, such as the Edwards-Anderson order parameter, the internal energy, and the specific heat. Considering extrapolations to the thermodynamic limit for the order parameter, such as a finite-size scaling approach, it is possible to obtain directly the critical temperature and critical exponents. The transition between the spin-glass and paramagnetic phases is analyzed, and the associated critical exponents β and ν are estimated as β=0.82(5) and ν=2.50(4), which are in good agreement with the most recent results from extensive numerical simulations on a cubic lattice. Since these critical exponents were obtained from a fixed-point distribution, they are universal, i.e., valid for any coupling distribution considered.

  19. Rapid Chemical Ordering in Supercooled Liquid Cu46Zr54

    SciTech Connect

    Wessels, Victor; Gangopadhyay, Anup; Sahu, K. K.; Hyers, R. W.; Canepari, S. M.; Rogers, J. R.; Kramer, Matthew J.; Goldman, Alan; Robinson, D.; Lee, Jae W; Morris, James R; Kelton, K. F.

    2011-01-01

    Evidence for abrupt chemical ordering in a supercooled Cu46Zr54 liquid, obtained from high energy x-ray diffraction in a containerless processing environment, is presented. Relatively sudden changes were observed in the topological and chemical short-range order near 850oC, a temperature significantly below the liquidus and above the glass transition temperatures. A peak in the specific heat was observed with supercooling, with an onset near 850oC, the same temperature as the onset of chemical ordering, and a maximum near 700oC, consistent with the prediction of a molecular dynamics calculation using embedded atom potentials. The dominant short-range order below 850oC is incompatible with that of the primary crystallizing phases. This, and the possible development of strongly bonded, chemically ordered clustersmay explain unlikely bulk metallic glass formation in Cu-Zr and other binary alloys.

  20. Statistical Short-Range Guidance for Peak Wind Speed Forecasts at Edwards Air Force Base, CA

    NASA Technical Reports Server (NTRS)

    Dreher, Joseph G.; Crawford, Winifred; Lafosse, Richard; Hoeth, Brian; Burns, Kerry

    2009-01-01

    The peak winds near the surface are an important forecast element for space shuttle landings. As defined in the Flight Rules (FR), there are peak wind thresholds that cannot be exceeded in order to ensure the safety of the shuttle during landing operations. The National Weather Service Spaceflight Meteorology Group (SMG) is responsible for weather forecasts for all shuttle landings, and is required to issue surface average and 10-minute peak wind speed forecasts. They indicate peak winds are a challenging parameter to forecast. To alleviate the difficulty in making such wind forecasts, the Applied Meteorology Unit (AMU) developed a PC-based graphical user interface (GUI) for displaying peak wind climatology and probabilities of exceeding peak wind thresholds for the Shuttle Landing Facility (SLF) at Kennedy Space Center (KSC; Lambert 2003). However, the shuttle occasionally may land at Edwards Air Force Base (EAFB) in southern California when weather conditions at KSC in Florida are not acceptable, so SMG forecasters requested a similar tool be developed for EAFB.

  1. Short-Range Vital Signs Sensing Based on EEMD and CWT Using IR-UWB Radar

    PubMed Central

    Hu, Xikun; Jin, Tian

    2016-01-01

    The radar sensor described realizes healthcare monitoring capable of detecting subject chest-wall movement caused by cardiopulmonary activities and wirelessly estimating the respiration and heartbeat rates of the subject without attaching any devices to the body. Conventional single-tone Doppler radar can only capture Doppler signatures because of a lack of bandwidth information with noncontact sensors. In contrast, we take full advantage of impulse radio ultra-wideband (IR-UWB) radar to achieve low power consumption and convenient portability, with a flexible detection range and desirable accuracy. A noise reduction method based on improved ensemble empirical mode decomposition (EEMD) and a vital sign separation method based on the continuous-wavelet transform (CWT) are proposed jointly to improve the signal-to-noise ratio (SNR) in order to acquire accurate respiration and heartbeat rates. Experimental results illustrate that respiration and heartbeat signals can be extracted accurately under different conditions. This noncontact healthcare sensor system proves the commercial feasibility and considerable accessibility of using compact IR-UWB radar for emerging biomedical applications. PMID:27916877

  2. Short-Range Vital Signs Sensing Based on EEMD and CWT Using IR-UWB Radar.

    PubMed

    Hu, Xikun; Jin, Tian

    2016-11-30

    The radar sensor described realizes healthcare monitoring capable of detecting subject chest-wall movement caused by cardiopulmonary activities and wirelessly estimating the respiration and heartbeat rates of the subject without attaching any devices to the body. Conventional single-tone Doppler radar can only capture Doppler signatures because of a lack of bandwidth information with noncontact sensors. In contrast, we take full advantage of impulse radio ultra-wideband (IR-UWB) radar to achieve low power consumption and convenient portability, with a flexible detection range and desirable accuracy. A noise reduction method based on improved ensemble empirical mode decomposition (EEMD) and a vital sign separation method based on the continuous-wavelet transform (CWT) are proposed jointly to improve the signal-to-noise ratio (SNR) in order to acquire accurate respiration and heartbeat rates. Experimental results illustrate that respiration and heartbeat signals can be extracted accurately under different conditions. This noncontact healthcare sensor system proves the commercial feasibility and considerable accessibility of using compact IR-UWB radar for emerging biomedical applications.

  3. Superconductivity in the boson-fermion model with short range fermion repulsion

    NASA Astrophysics Data System (ADS)

    Kostyrko, Tomasz

    1998-03-01

    We consider influence of an on-site Coulomb repulsion U between fermions on superconducting properties of a two-component system of the wide band electrons hybridized with heavy boson-like local electron pairs^1,2. Within an RPA treatment valid for U< fermion bandwidth, we show that U almost completely suppresses superconductivity as long as a boson level stays above a Fermi level (BCS limit), reducing both Tc and a range of stability of an s-wave superconducting phase at T=0 K. In a Bose region, where the chemical potential remains pinned to the boson level, superconductivity is always stable at T=0 K and suppression of Tc is relatively small, especially for finite values of a boson mass. Above results are verified with the conclusions based on an effective t-J like hamiltonian derived by means of a canonical perturbation method from the boson-fermion model in a strong U limit. We show that the on-site boson-fermion hybridization is reduced by a factor of 2t/U (t - fermion hopping) and transforms into an intersite coupling supporting an extended s-wave superconducting order in this limit. [1em] 1. J. Ranninger and Robaszkiewicz, Physica B 135, 468 (1985). 2. R. Friedberg and T.D. Lee, Phys. Rev. B 40, 423 (1989).

  4. Coupled tensorial forms of the second-order effective Hamiltonian for open-subshell atoms in jj-coupling

    SciTech Connect

    Jursenas, Rytis; Merkelis, Gintaras

    2011-01-15

    General expressions for the second-order effective atomic Hamiltonian are derived for open-subshell atoms in jj-coupling. The expansion terms are presented as N-body (N=0,1,2,3) effective operators given in the second quantization representation in coupled tensorial form. Two alternative coupled tensorial forms for each expansion term have been developed. To reduce the number of expressions of the effective Hamiltonian, the reduced matrix elements of antisymmetric two-particle wavefunctions are involved in the consideration. The general expressions presented allow the determination of the spin-angular part of expansion terms when studying correlation effects dealing with a number of problems in atomic structure calculations.

  5. Amazon river dolphins (Inia geoffrensis) use a high-frequency short-range biosonar.

    PubMed

    Ladegaard, Michael; Jensen, Frants Havmand; de Freitas, Mafalda; Ferreira da Silva, Vera Maria; Madsen, Peter Teglberg

    2015-10-01

    Toothed whales produce echolocation clicks with source parameters related to body size; however, it may be equally important to consider the influence of habitat, as suggested by studies on echolocating bats. A few toothed whale species have fully adapted to river systems, where sonar operation is likely to result in higher clutter and reverberation levels than those experienced by most toothed whales at sea because of the shallow water and dense vegetation. To test the hypothesis that habitat shapes the evolution of toothed whale biosonar parameters by promoting simpler auditory scenes to interpret in acoustically complex habitats, echolocation clicks of wild Amazon river dolphins were recorded using a vertical seven-hydrophone array. We identified 404 on-axis biosonar clicks having a mean SLpp of 190.3 ± 6.1 dB re. 1 µPa, mean SLEFD of 132.1 ± 6.0 dB re. 1 µPa(2)s, mean Fc of 101.2 ± 10.5 kHz, mean BWRMS of 29.3 ± 4.3 kHz and mean ICI of 35.1 ± 17.9 ms. Piston fit modelling resulted in an estimated half-power beamwidth of 10.2 deg (95% CI: 9.6-10.5 deg) and directivity index of 25.2 dB (95% CI: 24.9-25.7 dB). These results support the hypothesis that river-dwelling toothed whales operate their biosonars at lower amplitude and higher sampling rates than similar-sized marine species without sacrificing high directivity, in order to provide high update rates in acoustically complex habitats and simplify auditory scenes through reduced clutter and reverberation levels. We conclude that habitat, along with body size, is an important evolutionary driver of source parameters in toothed whale biosonars.

  6. 77 FR 36302 - Yankee Atomic Electric Company, Yankee Nuclear Power Station, Confirmatory Order Modifying...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-18

    ... Atomic submitted a letter to the U.S. Nuclear Regulatory Commission (NRC or the Commission) (Agencywide... Influence (FOCI) application filed with the NRC on January 3, 2012, and also provided in a letter to the NRC..., letter, contains provisions related to foreign ownership, control, or domination that include, but...

  7. Statistical Short-Range Guidance for Peak Wind Speed Forecasts at Edwards Air Force Base, CA

    NASA Technical Reports Server (NTRS)

    Dreher, Joseph; Crawford, Winifred; Lafosse, Richard; Hoeth, Brian; Burns, Kerry

    2008-01-01

    The peak winds near the surface are an important forecast element for Space Shuttle landings. As defined in the Shuttle Flight Rules (FRs), there are peak wind thresholds that cannot be exceeded in order to ensure the safety of the shuttle during landing operations. The National Weather Service Spaceflight Meteorology Group (SMG) is responsible for weather forecasts for all shuttle landings. They indicate peak winds are a challenging parameter to forecast. To alleviate the difficulty in making such wind forecasts, the Applied Meteorology Unit (AMTJ) developed a personal computer based graphical user interface (GUI) for displaying peak wind climatology and probabilities of exceeding peak-wind thresholds for the Shuttle Landing Facility (SLF) at Kennedy Space Center. However, the shuttle must land at Edwards Air Force Base (EAFB) in southern California when weather conditions at Kennedy Space Center in Florida are not acceptable, so SMG forecasters requested that a similar tool be developed for EAFB. Marshall Space Flight Center (MSFC) personnel archived and performed quality control of 2-minute average and 10-minute peak wind speeds at each tower adjacent to the main runway at EAFB from 1997- 2004. They calculated wind climatologies and probabilities of average peak wind occurrence based on the average speed. The climatologies were calculated for each tower and month, and were stratified by hour, direction, and direction/hour. For the probabilities of peak wind occurrence, MSFC calculated empirical and modeled probabilities of meeting or exceeding specific 10-minute peak wind speeds using probability density functions. The AMU obtained and reformatted the data into Microsoft Excel PivotTables, which allows users to display different values with point-click-drag techniques. The GUT was then created from the PivotTables using Visual Basic for Applications code. The GUI is run through a macro within Microsoft Excel and allows forecasters to quickly display and

  8. Short-range plasmonic nanofocusing within submicron regimes facilitates in situ probing and promoting of interfacial reactions

    NASA Astrophysics Data System (ADS)

    Yu, Chen-Chieh; Lin, Keng-Te; Su, Pao-Yun; Wang, En-Yun; Yen, Yu-Ting; Chen, Hsuen-Li

    2016-02-01

    In this study, a simple configuration, based on high-index dielectric nanoparticles (NPs) and plasmonic nanostructures, is employed for the nanofocusing of submicron-short-range surface plasmon polaritons (SPPs). The excited SPPs are locally bound and focused at the interface between the dielectric NPs and the underlying metallic nanostructures, thereby greatly enhancing the local electromagnetic field. Taking advantage of the surface properties of the dielectric NPs, this system performs various functions. For example, the nanofocusing of submicron-short-range SPPs is used to enhance the Raman signals of gas molecules adsorbed on the dielectric NPs. In addition, the presence of the local strong electromagnetic field accelerates the rates of interfacial reactions on the surfaces of the dielectric NPs. Therefore, the proposed nanofocusing configuration can both promote and probe interfacial reactions simultaneously. Herein, the promotion and probing of the desorption of EtOH vapor are described, as well as the photodegradation of methylene blue. Moreover, the nanofocusing of SPPs is demonstrated on an aluminum surface in both the visible and UV regimes, a process that has not been achieved using conventional tapered waveguide nanofocusing structures. Therefore, the nanofocusing of submicron-short-range SPPs by dielectric NPs on plasmonic nanostructures is not limited to low-loss noble metals. Accordingly, this system has potential for use in light management and on-chip green devices and sensors.In this study, a simple configuration, based on high-index dielectric nanoparticles (NPs) and plasmonic nanostructures, is employed for the nanofocusing of submicron-short-range surface plasmon polaritons (SPPs). The excited SPPs are locally bound and focused at the interface between the dielectric NPs and the underlying metallic nanostructures, thereby greatly enhancing the local electromagnetic field. Taking advantage of the surface properties of the dielectric NPs, this

  9. Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water.

    PubMed

    Reinhardt, Aleks; Doye, Jonathan P K; Noya, Eva G; Vega, Carlos

    2012-11-21

    We present a local order parameter based on the standard Steinhardt-Ten Wolde approach that is capable both of tracking and of driving homogeneous ice nucleation in simulations of all-atom models of water. We demonstrate that it is capable of forcing the growth of ice nuclei in supercooled liquid water simulated using the TIP4P/2005 model using over-biassed umbrella sampling Monte Carlo simulations. However, even with such an order parameter, the dynamics of ice growth in deeply supercooled liquid water in all-atom models of water are shown to be very slow, and so the computation of free energy landscapes and nucleation rates remains extremely challenging.

  10. Mimicking coarse-grained simulations without coarse-graining: Enhanced sampling by damping short-range interactions

    NASA Astrophysics Data System (ADS)

    Wei, Dongshan; Wang, Feng

    2010-08-01

    The damped-short-range-interaction (DSRI) method is proposed to mimic coarse-grained simulations by propagating an atomistic scale system on a smoothed potential energy surface. The DSRI method has the benefit of enhanced sampling provided by a typical coarse-grained simulation without the need to perform coarse-graining. Our method was used to simulate liquid water, alanine dipeptide folding, and the self-assembly of dimyristoylphosphatidylcholine lipid. In each case, our method appreciably accelerated the dynamics without significantly changing the free energy surface. Additional insights from DSRI simulations and the promise of coupling our DSRI method with Hamiltonian replica-exchange molecular dynamics are discussed.

  11. Change of the short-range scattering in the graphene covered with Bi2O3 clusters

    NASA Astrophysics Data System (ADS)

    Zhao, Bo; Chen, Taishi; Pan, Haiyang; Fu, Dongzhi; Han, Yuyan

    2016-04-01

    In this work, we have studied the oxidation process of the bismuth doped graphene in the ambient air. Complete oxidation of the bismuth clusters and that of the graphene are firmly confirmed. The influence of oxygen on the graphene is characterized by means of Hall measurement and SdH oscillation. All transport measurements demonstrate a hole-type doping behavior. Our work also demonstrates that the short-range scattering mechanism is enhanced in doped graphene due to accumulated O-species adsorbates after being exposed in the atmosphere for 40 days and is suppressed after annealing. This investigation may open a new perspective for fabricating the graphene metal oxide devices.

  12. Atomic-scale imaging of cation ordering in inverse spinel Zn2SnO4 nanowires.

    PubMed

    Bao, Lihong; Zang, Jianfeng; Wang, Guofeng; Li, Xiaodong

    2014-11-12

    By using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) coupled with density functional theory (DFT) calculations, we demonstrate the atomic-level imaging of cation ordering in inverse spinel Zn2SnO4 nanowires. This cation ordering was identified as 1:1 ordering of Zn(2+) and Sn(4+) at the octahedral sites of the inverse spinel crystal with microscopic symmetry transition from original cubic Fd3̅m to orthorhombic Imma group. This ordering generated a 67.8% increase in the elastic modulus and 1-2 order of magnitude lower in the electric conductivity and electron mobility compared to their bulk counterpart.

  13. Atomic layer deposited second-order nonlinear optical metamaterial for back-end integration with CMOS-compatible nanophotonic circuitry

    NASA Astrophysics Data System (ADS)

    Clemmen, Stéphane; Hermans, Artur; Solano, Eduardo; Dendooven, Jolien; Koskinen, Kalle; Kauranen, Martti; Brainis, Edouard; Detavernier, Christophe; Baets, Roel

    2015-11-01

    We report the fabrication of artificial unidimensional crystals exhibiting an effective bulk second-order nonlinearity. The crystals are created by cycling atomic layer deposition of three dielectric materials such that the resulting metamaterial is non-centrosymmetric in the direction of the deposition. Characterization of the structures by second-harmonic generation Maker-fringe measurements shows that the main component of their nonlinear susceptibility tensor is about 5 pm/V which is comparable to well-established materials and more than an order of magnitude greater than reported for a similar crystal [1-Alloatti et al, arXiv:1504.00101[cond-mat.mtrl- sci

  14. Extended Statistical Short-Range Guidance for Peak Wind Speed Analyses at the Shuttle Landing Facility: Phase II Results

    NASA Technical Reports Server (NTRS)

    Lambert, Winifred C.

    2003-01-01

    This report describes the results from Phase II of the AMU's Short-Range Statistical Forecasting task for peak winds at the Shuttle Landing Facility (SLF). The peak wind speeds are an important forecast element for the Space Shuttle and Expendable Launch Vehicle programs. The 45th Weather Squadron and the Spaceflight Meteorology Group indicate that peak winds are challenging to forecast. The Applied Meteorology Unit was tasked to develop tools that aid in short-range forecasts of peak winds at tower sites of operational interest. A seven year record of wind tower data was used in the analysis. Hourly and directional climatologies by tower and month were developed to determine the seasonal behavior of the average and peak winds. Probability density functions (PDF) of peak wind speed were calculated to determine the distribution of peak speed with average speed. These provide forecasters with a means of determining the probability of meeting or exceeding a certain peak wind given an observed or forecast average speed. A PC-based Graphical User Interface (GUI) tool was created to display the data quickly.

  15. Proposed NRC portable target case for short-range triangulation-based 3D imaging systems characterization

    NASA Astrophysics Data System (ADS)

    Carrier, Benjamin; MacKinnon, David; Cournoyer, Luc; Beraldin, J.-Angelo

    2011-03-01

    The National Research Council of Canada (NRC) is currently evaluating and designing artifacts and methods to completely characterize 3-D imaging systems. We have gathered a set of artifacts to form a low-cost portable case and provide a clearly-defined set of procedures for generating characteristic values using these artifacts. In its current version, this case is specifically designed for the characterization of short-range (standoff distance of 1 centimeter to 3 meters) triangulation-based 3-D imaging systems. The case is known as the "NRC Portable Target Case for Short-Range Triangulation-based 3-D Imaging Systems" (NRC-PTC). The artifacts in the case have been carefully chosen for their geometric, thermal, and optical properties. A set of characterization procedures are provided with these artifacts based on procedures either already in use or are based on knowledge acquired from various tests carried out by the NRC. Geometric dimensioning and tolerancing (GD&T), a well-known terminology in the industrial field, was used to define the set of tests. The following parameters of a system are characterized: dimensional properties, form properties, orientation properties, localization properties, profile properties, repeatability, intermediate precision, and reproducibility. A number of tests were performed in a special dimensional metrology laboratory to validate the capability of the NRC-PTC. The NRC-PTC will soon be subjected to reproducibility testing using an intercomparison evaluation to validate its use in different laboratories.

  16. Role for short-range interactions in the formation of cartilage and muscle masses in transfilter micromass cultures.

    PubMed

    Schramm, C A; Reiter, R S; Solursh, M

    1994-06-01

    In the embryonic limb bud, chondrogenic and myogenic regions arise by segregation from a mixture of chondrogenic and myogenic precursor cells (Schramm and Solursh, 1990). In in vitro micromass cultures, dissociated limb bud cells also segregate into chondrogenic and myogenic tissues. The process of segregation was studied using transfilter micromass cultures to determine the role of short-range interactions in the formation of these two tissue masses. Limb bud cells were plated on both sides of large and small Nucleopore filters. Pore size was chosen to permit cell-cell or cell-extracellular matrix contact across large pore filters but permit only interactions via diffusible molecules across small pore filters. Cultures were plated at high density on one surface to allow formation of chondrogenic nodules and at high or low density on the opposing surface to observe any segregation effect on chondrogenic and myogenic cells, respectively. Spatially organized extracellular matrix of micromass cultures was fixed by cold ethanol precipitation onto filters. The fixed micromass cultures lost the ability to affect segregation across the filter. These results suggest that chondrogenic aggregates enlarge in an autocrine manner dependent on direct cell-cell or cell-extracellular matrix contact provided by living cells. Myogenic segregation likely occurs in a paracrine manner that also requires short-range interactions.

  17. A search for nEDM and new constraints on short-range "pseudo-magnetic" interaction using neutron optics of noncentrosymmetric crystal

    NASA Astrophysics Data System (ADS)

    Fedorov, V. V.; Kuznetsov, I. A.; Voronin, V. V.

    2013-08-01

    New approach to measure both neutron electric dipole moment (EDM) and short-range pseudomagnetic nucleon-nucleon interaction using neutron optics of a crystal without center of symmetry is presented. This approach allows getting best direct constraint on the parameters of short range pseudomagnetic interaction of a free neutron with matter for the range of interaction distances λ<10-7 m.

  18. Bright solitons in a quasi-one-dimensional reduced model of a dipolar Bose-Einstein condensate with repulsive short-range interactions

    NASA Astrophysics Data System (ADS)

    Chiquillo, Emerson

    2014-08-01

    We study the formation and dynamics of bright solitons in a quasi-one-dimensional reduced mean-field Gross-Pitaevskii equation of a dipolar Bose-Einstein condensate with repulsive short-range interactions. The study is carried out using a variational approximation and a numerical solution. Plots of chemical potential and root mean square (rms) size of solitons are obtained for the quasi-one-dimensional model of three different dipolar condensates of 52Cr, 168Er and 164Dy atoms. The results achieved are in good agreement with those produced by the full three-dimensional mean-field model of the condensate. We also study the dynamics of the collision of a train of two solitons in the quasi-one-dimensional model of every condensate above. At small velocities (zero or close to zero) the dynamics is attractive for a phase difference δ = 0, the solitons coalesce and these oscillate, forming a bound soliton molecule. For a phase difference δ = π the effect is repulsive. At large velocities the collision is independent of the initial phase difference δ. This is quasi-elastic and the result is two quasi-solitons.

  19. Compositional analysis with atomic column spatial resolution by 5th-order aberration-corrected scanning transmission electron microscopy.

    PubMed

    Hernández-Maldonado, David; Herrera, Miriam; Alonso-González, Pablo; González, Yolanda; González, Luisa; Gazquez, Jaume; Varela, María; Pennycook, Stephen J; Guerrero-Lebrero, María de la Paz; Pizarro, Joaquín; Galindo, Pedro L; Molina, Sergio I

    2011-08-01

    We show in this article that it is possible to obtain elemental compositional maps and profiles with atomic-column resolution across an InxGa1-xAs multilayer structure from 5th-order aberration-corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) images. The compositional profiles obtained from the analysis of HAADF-STEM images describe accurately the distribution of In in the studied multilayer in good agreement with Muraki's segregation model [Muraki, K., Fukatsu, S., Shiraki, Y. & Ito, R. (1992). Surface segregation of In atoms during molecular beam epitaxy and its influence on the energy levels in InGaAs/GaAs quantums wells. Appl Phys Lett 61, 557-559].

  20. Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure

    SciTech Connect

    Finzel, Kati

    2016-01-21

    The local conditions for the Pauli potential that are necessary in order to yield self-consistent electron densities from orbital-free calculations are investigated for approximations that are expressed with the help of a local position variable. It is shown that those local conditions also apply when the Pauli potential is given in terms of the electron density. An explicit formula for the Ne atom is given, preserving the local conditions during the iterative procedure. The resulting orbital-free electron density exhibits proper shell structure behavior and is in close agreement with the Kohn-Sham electron density. This study demonstrates that it is possible to obtain self-consistent orbital-free electron densities with proper atomic shell structure from simple one-point approximations for the Pauli potential at local density level.

  1. Short range Tb{sup +3} spin correlations far above the two dimensional Neel temperature in Pb{sub 2}Sr{sub 2}TbCu{sub 3}O{sub 8}

    SciTech Connect

    Staub, U.; soderholm, L.; Skanthakumar, S.

    1996-03-01

    Whereas the Tb{sup +3} moments undergo antiferromagnetic ordering at T{sub N}=5.5 K, our susceptibility and inelastic neutron scattering experiments indicate that significant magnetic Tb-Tb short range correlations persist to temperatures T{ge}100 K. Magnetic correlations at such high temperatures relative to T{sub N} are very unusual and they may shed new light on the relation between superconductivity and rare earth magnetism in these systems.

  2. Magnetic properties and atomic ordering of BCC Heusler alloy Fe2MnGa ribbons

    NASA Astrophysics Data System (ADS)

    Xin, Yuepeng; Ma, Yuexing; Luo, Hongzhi; Meng, Fanbin; Liu, Heyan

    2016-05-01

    The electronic structure, atomic disorder and magnetic properties of the Heusler alloy Fe2MnGa have been investigated experimentally and theoretically. BCC Fe2MnGa ribbon samples were prepared. Experimentally, a saturation magnetic moment (3.68 μB at 5 K) much larger than the theoretical value (2.04 μB) has been reported. First-principles calculations indicate that the difference is related to the Fe-Mn disorder between A, B sites, as can also be deduced from the XRD pattern. L21 type Fe2MnGa is a ferrimagnet with antiparallel Fe and Mn spin moments. However, when Fe-Mn disorder occurs, part of Mn moments will be parallel to Fe moments, and the Fe moments also clearly increase simultaneously. All this results in a total moment of 3.74 μB, close to the experimental value.

  3. Atomic layer deposited second-order nonlinear optical metamaterial for back-end integration with CMOS-compatible nanophotonic circuitry.

    PubMed

    Clemmen, Stéphane; Hermans, Artur; Solano, Eduardo; Dendooven, Jolien; Koskinen, Kalle; Kauranen, Martti; Brainis, Edouard; Detavernier, Christophe; Baets, Roel

    2015-11-15

    We report the fabrication of artificial unidimensional crystals exhibiting an effective bulk second-order nonlinearity. The crystals are created by cycling atomic layer deposition of three dielectric materials such that the resulting metamaterial is noncentrosymmetric in the direction of the deposition. Characterization of the structures by second-harmonic generation Maker-fringe measurements shows that the main component of their nonlinear susceptibility tensor is about 5 pm/V, which is comparable to well-established materials and more than an order of magnitude greater than reported for a similar crystal [Appl. Phys. Lett.107, 121903 (2015)APPLAB0003-695110.1063/1.4931492]. Our demonstration opens new possibilities for second-order nonlinear effects on CMOS-compatible nanophotonic platforms.

  4. Intense multimicrojoule high-order harmonics generated from neutral atoms of In{sub 2}O{sub 3} nanoparticles

    SciTech Connect

    Elouga Bom, L. B.; Abdul-Hadi, J.; Vidal, F.; Ozaki, T.; Ganeev, R. A.

    2009-03-16

    We studied high-order harmonic generation from plasma that contains an abundance of indium oxide nanoparticles. We found that harmonics from nanoparticle-containing plasma are considerably more intense than from plasma produced on the In{sub 2}O{sub 3} bulk target, with high-order harmonic energy ranging from 6 {mu}J (for the ninth harmonic) to 1 {mu}J (for the 17th harmonic) in the former case. The harmonic cutoff from nanoparticles was at the 21st order, which is lower than that observed using indium oxide solid target. By comparing the harmonic spectra obtained from solid and nanoparticle indium oxide targets, we concluded that intense harmonics in the latter case are dominantly generated from neutral atoms of the In{sub 2}O{sub 3} nanoparticles.

  5. Role of long- and short-range hydrophobic, hydrophilic and charged residues contact network in protein’s structural organization

    PubMed Central

    2012-01-01

    Background The three-dimensional structure of a protein can be described as a graph where nodes represent residues and the strength of non-covalent interactions between them are edges. These protein contact networks can be separated into long and short-range interactions networks depending on the positions of amino acids in primary structure. Long-range interactions play a distinct role in determining the tertiary structure of a protein while short-range interactions could largely contribute to the secondary structure formations. In addition, physico chemical properties and the linear arrangement of amino acids of the primary structure of a protein determines its three dimensional structure. Here, we present an extensive analysis of protein contact subnetworks based on the London van der Waals interactions of amino acids at different length scales. We further subdivided those networks in hydrophobic, hydrophilic and charged residues networks and have tried to correlate their influence in the overall topology and organization of a protein. Results The largest connected component (LCC) of long (LRN)-, short (SRN)- and all-range (ARN) networks within proteins exhibit a transition behaviour when plotted against different interaction strengths of edges among amino acid nodes. While short-range networks having chain like structures exhibit highly cooperative transition; long- and all-range networks, which are more similar to each other, have non-chain like structures and show less cooperativity. Further, the hydrophobic residues subnetworks in long- and all-range networks have similar transition behaviours with all residues all-range networks, but the hydrophilic and charged residues networks don’t. While the nature of transitions of LCC’s sizes is same in SRNs for thermophiles and mesophiles, there exists a clear difference in LRNs. The presence of larger size of interconnected long-range interactions in thermophiles than mesophiles, even at higher interaction

  6. Structure, stability, and formation pathways of colloidal gels in systems with short-range attraction and long-range repulsion.

    PubMed

    van Schooneveld, Matti M; de Villeneuve, Volkert W A; Dullens, Roel P A; Aarts, Dirk G A L; Leunissen, Mirjam E; Kegel, Willem K

    2009-04-09

    We study colloidal gels formed upon centrifugation of dilute suspensions of spherical colloids (radius 446 nm) that interact through a long-range electrostatic repulsion (Debye length approximately 850 nm) and a short-range depletion attraction (approximately 12.5 nm), by means of confocal scanning laser microscopy (CSLM). In these systems, at low colloid densities, colloidal clusters are stable. Upon increasing the density by centrifugation, at different stages of cluster formation, we show that colloidal gels are formed that significantly differ in structure. While significant single-particle displacements do not occur on the hour time scale, the different gels slowly evolve within several weeks to a similar structure that is at least stable for over a year. Furthermore, while reference systems without long-range repulsion collapse into dense glassy states, the repulsive colloidal gels are able to support external stress in the form of a centrifugal field of at least 9g.

  7. Solvation force induced by short range, exact dissipative particle dynamics effective surfaces on a simple fluid and on polymer brushes.

    PubMed

    Goicochea, Armando Gama; Alarcón, Francisco

    2011-01-07

    The thermodynamic properties of a simple fluid confined by effective wall forces are calculated using Monte Carlo simulations in the grand canonical ensemble. The solvation force produced by polymer brushes of two different lengths is obtained also. For the particular type of model interactions used, known as the dissipative particle dynamics method, we find that it is possible to obtain an exact, simple expression for the effective force induced by a planar wall composed of identical particles that interact with those in the fluid. We show that despite the short range of all forces in the model, the solvation force can be finite at relatively large distances and therefore does not depend only on the range of the interparticle or solvent-surface forces. As for the polymer brushes, we find that the shape of the solvation force profiles is in fair agreement with scaling and self-consistent field theories. The applications and possible extensions of this work are discussed.

  8. Investigation of Proton-Proton Short-Range Correlations via the 12C(e,e'pp) Reaction

    SciTech Connect

    J. Arrington; H. Benaoum; F. Benmokhtar; P. Bertin; W. Bertozzi; W. Boeglin; J. P. Chen; Seonho Choi; E. Chudakov; E. Cisbani; B. Craver; C. W. de Jager; R. Feuerbach; S. Frullani; F. Garibaldi; O. Gayou; S. Gilad; R. Gilman; O. Glamazdin; J. Gomez; O. Hansen; D. W. Higinbotham; T. Holmstrom; H. Ibrahim; R. Igarashi; E. Jans; X. Jiang; Y. Jiang; L. Kaufman; A. Kelleher; A. Kolarkar; E. Kuchina; G. Kumbartzki; J. J. LeRose; R. Lindgren; N. Liyanage; D. J. Margaziotis; P. Markowitz; S. Marrone; M. Mazouz; R. Michaels; B. Moffit; S. Nanda; C. F. Perdrisat; E. Piasetzky; M. Potokar; V. Punjabi; Y. Qiang; J. Reinhold; B. Reitz; G. Ron; G. Rosner; A. Saha; B. Sawatzky; A. Shahinyan; S. Sirca; K. Slifer; P. Solvignon; V. Sulkosky; N. Thompson; P. E. Ulmer; G. M. Urciuoli; E. Voutier; K. Wang; J. W. Watson

    2007-08-01

    We investigated simultaneously the 12C(e,e'p) and 12C(e,e'pp) reactions at Q2 = 2 [GeV/c]2, x_B = 1.2, and in an (e,e'p) missing-momentum range from 300 to 600 MeV/c. At these kinematics, with a missing-momentum greater than the Fermi momentum of nucleons in a nucleus and far from the delta excitation, short-range nucleon-nucleon correlations are predicted to dominate the reaction. For(9.5 +/- 2)% of the 12C(e,e'p) events, a recoiling partner proton was observed back-to-back to the 12C(e,e'p) missing momentum vector, an experimental signature of correlations.

  9. Short-Range Temporal Interactions in Sleep; Hippocampal Spike Avalanches Support a Large Milieu of Sequential Activity Including Replay.

    PubMed

    Mahoney, J Matthew; Titiz, Ali S; Hernan, Amanda E; Scott, Rod C

    2016-01-01

    Hippocampal neural systems consolidate multiple complex behaviors into memory. However, the temporal structure of neural firing supporting complex memory consolidation is unknown. Replay of hippocampal place cells during sleep supports the view that a simple repetitive behavior modifies sleep firing dynamics, but does not explain how multiple episodes could be integrated into associative networks for recollection during future cognition. Here we decode sequential firing structure within spike avalanches of all pyramidal cells recorded in sleeping rats after running in a circular track. We find that short sequences that combine into multiple long sequences capture the majority of the sequential structure during sleep, including replay of hippocampal place cells. The ensemble, however, is not optimized for maximally producing the behavior-enriched episode. Thus behavioral programming of sequential correlations occurs at the level of short-range interactions, not whole behavioral sequences and these short sequences are assembled into a large and complex milieu that could support complex memory consolidation.

  10. Digital predistortion of 75-110 GHz W-band frequency multiplier for fiber wireless short range access systems.

    PubMed

    Zhao, Ying; Deng, Lei; Pang, Xiaodan; Yu, Xianbin; Zheng, Xiaoping; Zhang, Hanyi; Monroy, Idelfonso Tafur

    2011-12-12

    We present a W-band fiber-wireless transmission system based on a nonlinear frequency multiplier for high-speed wireless short range access applications. By implementing a baseband digital signal predistortion scheme, intensive nonlinear distortions induced in a sextuple frequency multiplier can be effectively pre-compensated. Without using costly W-band components, a transmission system with 26 km fiber and 4 m wireless transmission operating at 99.6 GHz is experimentally validated. Adjacent-channel power ratio (ACPR) improvements for IQ-modulated vector signals are guaranteed and transmission performances for fiber and wireless channels are studied. This W-band predistortion technique is a promising candidate for applications in high capacity wireless-fiber access systems.

  11. Toward Realization of 2.4 GHz Balunless Narrowband Receiver Front-End for Short Range Wireless Applications.

    PubMed

    El-Desouki, Munir M; Qasim, Syed Manzoor; BenSaleh, Mohammed S; Deen, M Jamal

    2015-05-07

    The demand for radio frequency (RF) transceivers operating at 2.4 GHz band has attracted considerable research interest due to the advancement in short range wireless technologies. The performance of RF transceivers depends heavily on the transmitter and receiver front-ends. The receiver front-end is comprised of a low-noise amplifier (LNA) and a downconversion mixer. There are very few designs that focus on connecting the single-ended output LNA to a double-balanced mixer without the use of on-chip transformer, also known as a balun. The objective of designing such a receiver front-end is to achieve high integration and low power consumption. To meet these requirements, we present the design of fully-integrated 2.4 GHz receiver front-end, consisting of a narrow-band LNA and a double balanced mixer without using a balun. Here, the single-ended RF output signal of the LNA is translated into differential signal using an NMOS-PMOS (n-channel metal-oxide-semiconductor, p-channel metal-oxide-semiconductor) transistor differential pair instead of the conventional NMOS-NMOS transistor configuration, for the RF amplification stage of the double-balanced mixer. The proposed receiver circuit fabricated using TSMC 0.18 µm CMOS technology operates at 2.4 GHz and produces an output signal at 300 MHz. The fabricated receiver achieves a gain of 16.3 dB and consumes only 6.74 mW operating at 1.5 V, while utilizing 2.08 mm2 of chip area. Measurement results demonstrate the effectiveness and suitability of the proposed receiver for short-range wireless applications, such as in wireless sensor network (WSN).

  12. Toward Realization of 2.4 GHz Balunless Narrowband Receiver Front-End for Short Range Wireless Applications

    PubMed Central

    El-Desouki, Munir M.; Qasim, Syed Manzoor; BenSaleh, Mohammed S.; Deen, M. Jamal

    2015-01-01

    The demand for radio frequency (RF) transceivers operating at 2.4 GHz band has attracted considerable research interest due to the advancement in short range wireless technologies. The performance of RF transceivers depends heavily on the transmitter and receiver front-ends. The receiver front-end is comprised of a low-noise amplifier (LNA) and a downconversion mixer. There are very few designs that focus on connecting the single-ended output LNA to a double-balanced mixer without the use of on-chip transformer, also known as a balun. The objective of designing such a receiver front-end is to achieve high integration and low power consumption. To meet these requirements, we present the design of fully-integrated 2.4 GHz receiver front-end, consisting of a narrow-band LNA and a double balanced mixer without using a balun. Here, the single-ended RF output signal of the LNA is translated into differential signal using an NMOS-PMOS (n-channel metal-oxide-semiconductor, p-channel metal-oxide-semiconductor) transistor differential pair instead of the conventional NMOS-NMOS transistor configuration, for the RF amplification stage of the double-balanced mixer. The proposed receiver circuit fabricated using TSMC 0.18 µm CMOS technology operates at 2.4 GHz and produces an output signal at 300 MHz. The fabricated receiver achieves a gain of 16.3 dB and consumes only 6.74 mW operating at 1.5 V, while utilizing 2.08 mm2 of chip area. Measurement results demonstrate the effectiveness and suitability of the proposed receiver for short-range wireless applications, such as in wireless sensor network (WSN). PMID:25961380

  13. Diagnosing the possible dynamics controlling Sahel precipitation in the short-range ensemble community atmospheric model hindcasts

    NASA Astrophysics Data System (ADS)

    Tseng, Yu-heng; Lin, Yen-heng; Lo, Min-hui; Yang, Shu-chih

    2016-11-01

    The actual dynamics and physical mechanisms affecting the Sahel precipitation pattern and amplitude in the climate models remain under debate due to the inconsistent drying and rainfall variability/pattern among them. We diagnose the boreal summer rainfall pattern in the Sahel and its possible causes using short-range ensemble hindcasts based on NCAR community atmospheric model with the local ensemble transform Kalman filter (CAM-LETKF) data assimilation. The CAM-LETKF assimilation was conducted using 64 ensemble members with an assimilation cycle of 6-h. By comparing the superior and inferior groups within these 64 ensembles, we confirmed the influence of the Atlantic in the West Sahel rainfall (a robust feature in the ensembles) and a severe model bias resulting from erroneously modeled locations and magnitudes of low-level Sahara heat low (SHL) and African easterly jet (AEJ). This bias is highly related to atmospheric jet dynamics as shown in recent studies and local wave instability triggered mainly by the boundary-layer temperature gradient and amplified by land-atmosphere interactions. In particular, our results demonstrated that more accurate divergence and convergence fields resulting from improved SHL and AEJ in the superior groups enabled more accurate rainbelt patterns to be discerned, thus improving the ensemble mean model hindcast prediction by more than 25 % in precipitation and 16 % in temperature. We concluded that the use of low-resolution climate models to project future rainfall in the Sahel requires caution because the model hindcasts may quickly diverge even the same boundary conditions and forcings are applied. The model bias may easily grow up within a few months in the short-range CAM-LETKF hindcast, let along the free model centennial simulations. Unconstrained future climate model projections for the Sahel must more effectively capture the short-term key boundary-layer dynamics in the boreal summer to be credible regardless model dynamics

  14. Global and regional cortical connectivity maturation index (CCMI) of developmental human brain with quantification of short-range association tracts

    NASA Astrophysics Data System (ADS)

    Ouyang, Minhui; Jeon, Tina; Mishra, Virendra; Du, Haixiao; Wang, Yu; Peng, Yun; Huang, Hao

    2016-03-01

    From early childhood to adulthood, synaptogenesis and synaptic pruning continuously reshape the structural architecture and neural connection in developmental human brains. Disturbance of the precisely balanced strengthening of certain axons and pruning of others may cause mental disorders such as autism and schizophrenia. To characterize this balance, we proposed a novel measurement based on cortical parcellation and diffusion MRI (dMRI) tractography, a cortical connectivity maturation index (CCMI). To evaluate the spatiotemporal sensitivity of CCMI as a potential biomarker, dMRI and T1 weighted datasets of 21 healthy subjects 2-25 years were acquired. Brain cortex was parcellated into 68 gyral labels using T1 weighted images, then transformed into dMRI space to serve as the seed region of interest for dMRI-based tractography. Cortico-cortical association fibers initiated from each gyrus were categorized into long- and short-range ones, based on the other end of fiber terminating in non-adjacent or adjacent gyri of the seed gyrus, respectively. The regional CCMI was defined as the ratio between number of short-range association tracts and that of all association tracts traced from one of 68 parcellated gyri. The developmental trajectory of the whole brain CCMI follows a quadratic model with initial decreases from 2 to 16 years followed by later increases after 16 years. Regional CCMI is heterogeneous among different cortical gyri with CCMI dropping to the lowest value earlier in primary somatosensory cortex and visual cortex while later in the prefrontal cortex. The proposed CCMI may serve as sensitive biomarker for brain development under normal or pathological conditions.

  15. Global and regional cortical connectivity maturation index (CCMI) of developmental human brain with quantification of short-range association tracts

    PubMed Central

    Ouyang, Minhui; Jeon, Tina; Mishra, Virendra; Du, Haixiao; Wang, Yu; Peng, Yun; Huang, Hao

    2016-01-01

    From early childhood to adulthood, synaptogenesis and synaptic pruning continuously reshape the structural architecture and neural connection in developmental human brains. Disturbance of the precisely balanced strengthening of certain axons and pruning of others may cause mental disorders such as autism and schizophrenia. To characterize this balance, we proposed a novel measurement based on cortical parcellation and diffusion MRI (dMRI) tractography, a cortical connectivity maturation index (CCMI). To evaluate the spatiotemporal sensitivity of CCMI as a potential biomarker, dMRI and T1 weighted datasets of 21 healthy subjects 2–25 years were acquired. Brain cortex was parcellated into 68 gyral labels using T1 weighted images, then transformed into dMRI space to serve as the seed region of interest for dMRI-based tractography. Cortico-cortical association fibers initiated from each gyrus were categorized into long- and short-range ones, based on the other end of fiber terminating in non-adjacent or adjacent gyri of the seed gyrus, respectively. The regional CCMI was defined as the ratio between number of short-range association tracts and that of all association tracts traced from one of 68 parcellated gyri. The developmental trajectory of the whole brain CCMI follows a quadratic model with initial decreases from 2 to 16 years followed by later increases after 16 years. Regional CCMI is heterogeneous among different cortical gyri with CCMI dropping to the lowest value earlier in primary somatosensory cortex and visual cortex while later in the prefrontal cortex. The proposed CCMI may serve as sensitive biomarker for brain development under normal or pathological conditions. PMID:27076697

  16. Gelation of large hard particles with short-range attraction induced by bridging of small soft microgels.

    PubMed

    Luo, Junhua; Yuan, Guangcui; Zhao, Chuanzhuang; Han, Charles C; Chen, Jie; Liu, Yun

    2015-03-28

    In this study, mixed suspensions of large hard polystyrene microspheres and small soft poly(N-isopropylacrylamide) microgels are used as model systems to investigate the static and viscoelastic properties of suspensions which go through liquid to gel transitions. The microgels cause short-range attraction between microspheres through the bridging and depletion mechanism whose strength can be tuned by the microgel concentration. Rheological measurements are performed on suspensions with the volume fraction (Φ) of microspheres ranging from 0.02 to 0.15, and the transitions from liquid-like to solid-like behaviors triggered by the concentration of microgels are carefully identified. Two gel lines due to bridging attraction under unsaturated conditions are obtained. Ultra-small angle neutron scattering is used to probe the thermodynamic properties of suspensions approaching the liquid-solid transition boundaries. Baxter's sticky hard-sphere model is used to extract the effective inter-microsphere interaction introduced by the small soft microgels. It is found that the strength of attraction (characterized by a single stickiness parameter τ) on two gel lines formed by bridging is very close to the theoretical value for the spinodal line in the τ-Φ phase diagram predicted by Baxter's model. This indicates that the nature of the gel state may have the same thermodynamic origins, independent of the detailed mechanism of the short-range attraction. The relationship between the rheological criterion for the liquid-solid transition and the thermodynamic criterion for the equilibrium-nonequilibrium transition is also discussed.

  17. Effect of atomic order on the electrical resistivity of CoxFe100-x alloys

    NASA Astrophysics Data System (ADS)

    Freitas, P. P.; Berger, L.

    1988-04-01

    We measured the electrical resistivity at 4.2 K of a series of CoxFe100-x alloys in the ordered and disordered state. For 30ordering as expected when an energy gap occurs at the Fermi level. For 40ordering due to an increase of the electron relaxation time. For two samples with x=38 and x=48 at. % Co we measured ρ(TQ,T) at temperatures T=4.2, 77, and 295 K after quenching the samples in salt water from several temperatures TQ around the ordering temperature To. For the first sample, ρ(TQ,4.2 K) increases for TQordering and dρ/dT has a positive anomaly at To. This crossover from a gap-dominated to a relaxation-time-dominated critical behavior is induced by increasing the measuring temperature T, therefore exciting electrons across the energy gap. From the dependence of ρ(TQ,T) on T we estimate the gap width to be around 45 meV. For x=50 at.% Co both ρ(TQ,4.2 K) and ρ(T) decrease upon ordering. Here the gapless behavior of the resistivity is due to the particular topology of the Fermi surface.

  18. Atomic-Scale Assembly of a Heterogeneous Catalytic Site

    SciTech Connect

    Han, Patrick; Axnanda, Stephanus; Lyubinetsky, Igor; Goodman, D. W.

    2007-11-21

    The (100) surface of a AuPd bulk alloy was imaged by scanning tunneling microscopy. Chemical-contrast revealed structures with short-range order involving surface Pd atoms at c(2x2) sites with respect to the surface lattice—a first time observation of a known active heterogeneous catalytic site with atomic resolution. Comparison of the Pd distribution in a AuPd(100) surface with that in a Au3Pd(100) surface shows the unique thermodynamic properties of the 50 : 50 alloy are decisive in controlling the formation of isolated Pd sites.

  19. Computational test of the infinite order sudden approximation for excitation of linear rigid rotors by collisions with atoms

    NASA Technical Reports Server (NTRS)

    Green, S.

    1978-01-01

    The infinite order sudden approximation for excitation of linear rigid rotors by collisions with atom is tested by comparing integral state-to-state cross sections with accurate close coupling and coupled states results. The systems studied are HCl-Ar, HCl-He, CO-He, HCN-He, CS-H2 and OCS-H2. With the exception of diatomic hydrides (e.g., HCl) which have atypically large rotational constants the method is found to be very accurate to remarkably low collision energies. This approximation should generally be extremely useful for thermal energy collisions.

  20. Direct Evidence of Lithium-Induced Atomic Ordering in Amorphous TiO2 Nanotubes

    SciTech Connect

    Gao, Qi; Gu, Meng; Nie, Anmin; Mashayek, Farzad; Wang, Chong M.; Odegard, Gregory M.; Shahbazian-Yassar, Reza

    2014-01-27

    In this paper, we report the first direct chemical and imaging evidence of lithium-induced atomic ordering in amorphous TiO2 nanomaterials and propose new reaction mechanisms that contradict the many works in the published literature on the lithiation behavior of these materials. The lithiation process was conducted in situ inside an atomic resolution transmission electron microscope. Our results indicate that the lithiation started with the valence reduction of Ti4+ to Ti3+ leading to a LixTiO2 intercalation compound. The continued intercalation of Li ions in TiO2 nanotubes triggered an amorphous to crystalline phase transformation. The crystals were formed as nano-islands and identified to be Li2Ti2O4 with cubic structure (a = 8.375 Å). The tendency for the formation of these crystals was verified with density functional theory (DFT) simulations. The size of the crystalline islands provides a characteristic length scale (~5 nm) at which the atomic bonding configuration has been changed within a short time period. This phase transformation is associated with local inhomogeneities in Li distribution. On the basis of these observations, a new reaction mechanism is proposed to explain the first cycle lithiation behavior in amorphous TiO2 nanotubes.

  1. Atomic-resolution chemical mapping of ordered precipitates in Al alloys using energy-dispersive X-ray spectroscopy.

    PubMed

    Wenner, Sigurd; Jones, Lewys; Marioara, Calin D; Holmestad, Randi

    2017-05-01

    Scanning transmission electron microscopy (STEM) coupled with energy-dispersive X-ray spectroscopy (EDS) is a common technique for chemical mapping in thin samples. Obtaining high-resolution elemental maps in the STEM is jointly dependent on stepping the sharply focused electron probe in a precise raster, on collecting a significant number of characteristic X-rays over time, and on avoiding damage to the sample. In this work, 80kV aberration-corrected STEM-EDS mapping was performed on ordered precipitates in aluminium alloys. Probe and sample instability problems are handled by acquiring series of annular dark-field (ADF) images and simultaneous EDS volumes, which are aligned and non-rigidly registered after acquisition. The summed EDS volumes yield elemental maps of Al, Mg, Si, and Cu, with sufficient resolution and signal-to-noise ratio to determine the elemental species of each atomic column in a periodic structure, and in some cases the species of single atomic columns. Within the uncertainty of the technique, S and β" phases were found to have pure elemental atomic columns with compositions Al2CuMg and Al2Mg5Si4, respectively. The Q' phase showed some variation in chemistry across a single precipitate, although the majority of unit cells had a composition Al6Mg6Si7.2Cu2.

  2. Optimization and calibration of atomic force microscopy sensitivity in terms of tip-sample interactions in high-order dynamic atomic force microscopy

    SciTech Connect

    Liu Yu; Guo Qiuquan; Nie Hengyong; Lau, W. M.; Yang Jun

    2009-12-15

    The mechanism of dynamic force modes has been successfully applied to many atomic force microscopy (AFM) applications, such as tapping mode and phase imaging. The high-order flexural vibration modes are recent advancement of AFM dynamic force modes. AFM optical lever detection sensitivity plays a major role in dynamic force modes because it determines the accuracy in mapping surface morphology, distinguishing various tip-surface interactions, and measuring the strength of the tip-surface interactions. In this work, we have analyzed optimization and calibration of the optical lever detection sensitivity for an AFM cantilever-tip ensemble vibrating in high-order flexural modes and simultaneously experiencing a wide range and variety of tip-sample interactions. It is found that the optimal detection sensitivity depends on the vibration mode, the ratio of the force constant of tip-sample interactions to the cantilever stiffness, as well as the incident laser spot size and its location on the cantilever. It is also found that the optimal detection sensitivity is less dependent on the strength of tip-sample interactions for high-order flexural modes relative to the fundamental mode, i.e., tapping mode. When the force constant of tip-sample interactions significantly exceeds the cantilever stiffness, the optimal detection sensitivity occurs only when the laser spot locates at a certain distance from the cantilever-tip end. Thus, in addition to the 'globally optimized detection sensitivity', the 'tip optimized detection sensitivity' is also determined. Finally, we have proposed a calibration method to determine the actual AFM detection sensitivity in high-order flexural vibration modes against the static end-load sensitivity that is obtained traditionally by measuring a force-distance curve on a hard substrate in the contact mode.

  3. Second order classical perturbation theory for the sticking probability of heavy atoms scattered on surfaces.

    PubMed

    Sahoo, Tapas; Pollak, Eli

    2015-08-14

    A second order classical perturbation theory is developed to calculate the sticking probability of a particle scattered from an uncorrugated thermal surface. An analytic expression for the temperature dependent energy loss of the particle to the surface is derived by employing a one-dimensional generalized Langevin equation. The surface temperature reduces the energy loss, since the thermal surface transfers energy to the particle. Using a Gaussian energy loss kernel and the multiple collision theory of Fan and Manson [J. Chem. Phys. 130, 064703 (2009)], enables the determination of the fraction of particles trapped on the surface after subsequent momentum reversals of the colliding particle. This then leads to an estimate of the trapping probability. The theory is tested for the model scattering of Ar on a LiF(100) surface. Comparison with numerical simulations shows excellent agreement of the analytical theory with simulations, provided that the energy loss is determined by the second order perturbation theory.

  4. Local atomic and electronic structure in LaMnO{sub 3} across the orbital ordering transition

    SciTech Connect

    Souza, Raquel A.; Souza-Neto, Narcizo M.; Ramos, Aline Y.; Tolentino, Helio C.N.; Granado, Eduardo

    2004-12-01

    The local atomic disorder and electronic structure in the environment of manganese atoms in LaMnO{sub 3} has been studied by x-ray absorption spectroscopy over a temperature range (300-870 K) covering the orbital ordering transition ({approx}710 K). The Mn-O distance splitting into short and long bonds (1.95 and 2.15 A) is kept across the transition temperature, so that the MnO{sub 6} octahedra remain locally Jahn-Teller distorted. Discontinuities in the Mn local structure are identified in the extended x-ray fine structure spectra at this temperature, associated with a reduction of the disorder in the superexchange angle and to the removal of the anisotropy in the radial disorder within the coordination shell. Subtle changes in the electronic local structure also take place at the Mn site at the transition temperature. The near-edge spectra show a small drop of the Mn 4p hole count and a small enhancement in the pre-edge structures at the transition temperature. These features are associated with an increase of the covalence of the Mn-O bonds. Our results shed light on the local electronic and structural phenomena in a model of order-disorder transition, where the cooperative distortion is overcome by the thermal disorder.

  5. Intrinsic differences in atomic ordering of calcium (alumino)silicate hydrates in conventional and alkali-activated cements

    SciTech Connect

    White, Claire E.; Daemen, Luke L.; Hartl, Monika; Page, Katharine

    2015-01-15

    The atomic structures of calcium silicate hydrate (C–S–H) and calcium (–sodium) aluminosilicate hydrate (C–(N)–A–S–H) gels, and their presence in conventional and blended cement systems, have been the topic of significant debate over recent decades. Previous investigations have revealed that synthetic C–S–H gel is nanocrystalline and due to the chemical similarities between ordinary Portland cement (OPC)-based systems and low-CO{sub 2} alkali-activated slags, researchers have inferred that the atomic ordering in alkali-activated slag is the same as in OPC–slag cements. Here, X-ray total scattering is used to determine the local bonding environment and nanostructure of C(–A)–S–H gels present in hydrated tricalcium silicate (C{sub 3}S), blended C{sub 3}S–slag and alkali-activated slag, revealing the large intrinsic differences in the extent of nanoscale ordering between C–S–H derived from C{sub 3}S and alkali-activated slag systems, which may have a significant influence on thermodynamic stability, and material properties at higher length scales, including long term durability of alkali-activated cements.

  6. Observation of atomic ordering of triple-period-A and -B type in GaAsBi

    SciTech Connect

    Wu, Mingjian Luna, Esperanza; Trampert, Achim; Puustinen, Janne; Guina, Mircea

    2014-07-28

    We report the observation of atomic ordering of triple-period (TP)-A and -B type in low temperature (LT) grown GaAsBi alloy using transmission electron microscopy (TEM). In addition to previous reports, where only TP-A ordering was identified in III-V alloys, here, we confirm by electron diffraction, high-resolution (HR) TEM, and HR Z-contrast scanning TEM that two ordering variants coexists for LT-GaAsBi. We find that the TP-A ordering variant dominates over the TP-B variant. TP-A domains extend over 50–100 nm (projected lateral width) and are of higher perfection compared to TP-B domains. HR Z-contrast scanning TEM on different domains reveals a variation in the Bi occupancy in the (111) planes with triple period sequence. Since the formation of ordered phases has been directly linked to the occurrence of specific surface reconstructions, our results suggest a correlation between the TP-A and B type domains and the multiple stability of n × 3 and 3 × n reconstructions on the (001) surface of GaAsBi under low temperature growth.

  7. Surface structures from low energy electron diffraction: Atoms, small molecules and an ordered ice film on metal surfaces

    SciTech Connect

    Materer, Nicholas F.

    1995-09-01

    We investigated the surface bonding of various adsorbates (0, S, C2H3 and NO) along with the resulting relaxation of the Pt(111) surface using low energy electron diffiraction (LEED). LEED experiments have been performed on these ordered overlayers along with theoretical structural analysis using automated tensor LEED (ATLEED). The resulting surface structures of these ordered overlayers exhibit similar adsorbate-induced relaxations. In all cases the adsorbate occupies the fcc hollow site and induces an approximately 0.1 A buckling of the metal surface. The three metal atoms directly bonded to the adsorbate are ``pulled`` out of the surface and the metal atom that is not bound to the adsorbate is `pushed`` inward. In order to understand the reliability of such details, we have carried out a comprehensive study of various non-structural parameters used in a LEED computation. We also studied the adsorption of water on the Pt(lll) surface. We ordered an ultra thin ice film on this surface. The film`s surface is found to be the (0001) face of hexagonal ice. This surface is apparently terminated by a full-bilayer, in which the uppermost water molecules have large vibrational amplitudes even at temperatures as low as 90 K. We examined two other metal surfaces besides Pt(111): Ni(111) and Fe(lll). On Ni(111), we have studied the surface under a high coverage of NO. On both Ni(111) and Pt(111) NO molecules occupy the hollow sites and the N-0 bond distances are practically identical. The challenging sample preparation of an Fe(111) surface has been investigated and a successful procedure has been obtained. The small interlayer spacing found on Fe(111) required special treatment in the LEED calculations. A new ATLEED program has been developed to handle this surface.

  8. The politics of NATO short-range nuclear modernization, 1983-1990: The follow-on to Lance missile decisions

    SciTech Connect

    Larsen, J.A.

    1991-01-01

    The follow-on to Lance (FOTL) missile was born in 1983 with a consensual decision by NATO, in the face of a worsening strategic situation, to pursue short-range nuclear force (SNF) modernization. The program continued despite increasing popular and political opposition in Europe. It ended with a May 1990 cancellation decision by the American bureaucracy that reflected converging pressures from the international system, from America's allies, and from the domestic arena. The study asks three questions concerning the FOTL case. Why did NATO decide to upgrade its SNF forces, particularly FOTL Why did NATO continue to support FOTL's development in the face of increasing public opposition as the decade wore on Why did the United States cancel FOTL when it did The thesis attempts to answer each question through the use of one of three analytical perspective: systemic theory, alliance politics, or domestic politics. It concludes that during this time of diminishing threat at the systemic level, domestic-level factors within the German and American milieu became more important.

  9. Thermophysical properties of gases, liquids, and solids composed of particles interacting with a short-range attractive potential

    NASA Astrophysics Data System (ADS)

    Hess, Siegfried; Kröger, Martin

    2001-07-01

    A short-range polynomial interaction potential is introduced which has both a repulsive core and an attractive part. It is cut off smoothly such that its first and second derivatives vanish at the cutoff distance. The potential therefore enables efficient simulation studies of a model material that exhibits similarities to a full (but computationally expensive) classical Lennard-Jones system. Thermophysical properties of the model are calculated by (nonequilibrium) molecular dynamics computer simulations and compared with analytical results. Among the quantities studied is the pressure as a function of the density for various temperatures. Equations of state for the fluid and the solid are tested. The coexistence of gaseous, (metastable) liquid, and fcc solid phases is found for a range of temperatures. Bulk and shear moduli are computed. The response of the system to a shear deformation with a constant shear rate is analyzed. The liquid shows viscoelastic behavior that can be described with a Maxwell model. The solid behaves as an elastic medium up to a finite deformation and then undergoes a transition to plastic flow, which is stick-slip-like at small shear rates and continuous at higher ones.

  10. Evidence against a mean field description of short-range spin glasses revealed through thermal boundary conditions

    NASA Astrophysics Data System (ADS)

    Machta, Jonathan; Wang, Wenlong; Katzgraber, Helmut

    2015-03-01

    A theoretical description of the low-temperature phase of short-range spin glasses has remained elusive for decades. It is not known if there is a single pair of pure states as predicted by the droplet model, or infinitely many pure states, as predicted by mean field theory. Here we study the three-dimensional Edwards-Anderson Ising spin glass in thermal boundary conditions using population annealing Monte Carlo. In thermal boundary conditions all eight combinations of periodic vs antiperiodic boundary conditions in the three spatial directions appear in the ensemble with their respective Boltzmann weights, thus minimizing finite-size corrections due to domain walls. From the relative weighting of the eight boundary conditions for each disorder instance a sample stiffness is defined, and its typical value is shown to grow with system size according to a stiffness exponent. An extrapolation to the large-system-size limit is consistent with a single pair of pure states in every volume but incompatible with the mean field, replica symmetry breaking picture. Supported in part by NSF DMR-1151387 and DMR-1208046.

  11. Development and Short-Range Testing of a 100 kW Side-Illuminated Millimeter-Wave Thermal Rocket

    NASA Technical Reports Server (NTRS)

    Bruccoleri, Alexander; Eilers, James A.; Lambot, Thomas; Parkin, Kevin

    2015-01-01

    The objective of the phase described here of the Millimeter-Wave Thermal Launch System (MTLS) Project was to launch a small thermal rocket into the air using millimeter waves. The preliminary results of the first MTLS flight vehicle launches are presented in this work. The design and construction of a small thermal rocket with a planar ceramic heat exchanger mounted along the axis of the rocket is described. The heat exchanger was illuminated from the side by a millimeter-wave beam and fed propellant from above via a small tank containing high pressure argon or nitrogen. Short-range tests where the rocket was launched, tracked, and heated with the beam are described. The rockets were approximately 1.5 meters in length and 65 millimeters in diameter, with a liftoff mass of 1.8 kilograms. The rocket airframes were coated in aluminum and had a parachute recovery system activated via a timer and Pyrodex. At the rocket heat exchanger, the beam distance was 40 meters with a peak power intensity of 77 watts per square centimeter. and a total power of 32 kilowatts in a 30 centimeter diameter circle. An altitude of approximately 10 meters was achieved. Recommendations for improvements are discussed.

  12. Complex angular momenta approach for scattering problems in the presence of both monopoles and short range potentials

    NASA Astrophysics Data System (ADS)

    Canfora, Fabrizio

    2016-10-01

    I analyze the quantum mechanical scattering off a topological defect (such as a Dirac monopole) as well as a Yukawa-like potential(s) representing the typical effects of strong interactions. This system, due to the presence of a short-range potential, can be analyzed using the powerful technique of the complex angular momenta which, so far, has not been employed in the presence of monopoles (nor of other topological solitons). Due to the fact that spatial spherical symmetry is achieved only up to internal rotations, the partial wave expansion becomes very similar to the Jacob-Wick helicity amplitudes for particles with spin. However, since the angular-momentum operator has an extra "internal" contribution, fixed cuts in the complex angular momentum plane appear. Correspondingly, the background integral in the Regge formula does not decrease for large values of |cos θ | (namely, large values of the Mandelstam variable s ). Hence, the experimental observation of this kind of behavior could be a direct signal of nontrivial topological structures in strong interactions. The possible relations of these results with the soft Pomeron are shortly analyzed.

  13. A two-pulse, pump-probe method for short-range, remote standoff detection of chemical warfare agents

    NASA Astrophysics Data System (ADS)

    Bisson, Scott E.; Headrick, Jeffrey M.; Reichardt, Thomas A.; Farrow, Roger L.; Kulp, Thomas J.

    2011-05-01

    We describe a photofragment laser-induced fluorescence (PF-LIF) method that can be applied to the short-range-standoff detection of low-volatility organophosphonate chemical warfare agents (OP-CWAs) on surfaces. It operates by photofragmenting a surface-bound analyte and then actively interrogating a released phosphorous monoxide (PO) fragment using LIF. We demonstrate a single-pulse-pair (pump = 500 μJ @ 266 nm; probe = 20 μJ @ 248 nm) surface detection sensitivity of 30 μg/cm2 for the organophosphonate diisopropyl isothiocyanate phosphonate (DIPP) on aluminum and 210 μg/cm2 for the same analyte on a more porous concrete surface. By detecting the PO photofragment, the method indicates the presence of organophosphonates; however, we show that it also responds to other phosphorouscontaining compounds. Because of its limited specificity, we believe that the method may have most immediate use as a mapping tool to rapidly identify "hotspots" of OP-CWAs. These would then be confirmed using a more specific tool. As one method of confirming the presence of OP-CWAs (and identifying the agent), we demonstrate that the probe beam can be used to acquire Raman-scattering spectra of the target area.

  14. 0{nu}{beta}{beta}-decay nuclear matrix elements with self-consistent short-range correlations

    SciTech Connect

    Simkovic, Fedor; Faessler, Amand; Muether, Herbert; Rodin, Vadim; Stauf, Markus

    2009-05-15

    A self-consistent calculation of nuclear matrix elements of the neutrinoless double-beta decays (0{nu}{beta}{beta}) of {sup 76}Ge, {sup 82}Se, {sup 96}Zr, {sup 100}Mo, {sup 116}Cd, {sup 128}Te, {sup 130}Te, and {sup 136}Xe is presented in the framework of the renormalized quasiparticle random phase approximation (RQRPA) and the standard QRPA. The pairing and residual interactions as well as the two-nucleon short-range correlations are for the first time derived from the same modern realistic nucleon-nucleon potentials, namely, from the charge-dependent Bonn potential (CD-Bonn) and the Argonne V18 potential. In a comparison with the traditional approach of using the Miller-Spencer Jastrow correlations, matrix elements for the 0{nu}{beta}{beta} decay are obtained that are larger in magnitude. We analyze the differences among various two-nucleon correlations including those of the unitary correlation operator method (UCOM) and quantify the uncertainties in the calculated 0{nu}{beta}{beta}-decay matrix elements.

  15. Icosahedral medium-range orders and backbone formation in an amorphous alloy

    NASA Astrophysics Data System (ADS)

    Lee, Mirim; Kim, Hong-Kyu; Lee, Jae-Chul

    2010-12-01

    Analyses of metallic amorphous solids constructed using molecular dynamics (MD) simulations have demonstrated that individual short-range orders (SROs) are linked with neighboring SROs and form various medium-range orders (MROs). These MROs have been observed to have different structural stability depending on their linking patterns. On the basis of the assessment of the structural stability of various MROs, we propose new types of structural organization, namely, icosahedral medium-range orders (I-MROs) and their extended-range order that forms the backbone of amorphous solids. We also discuss why the atomic-scale structure of an amorphous alloy can be more appropriately described in terms of I-MROs, rather than by the degree of short-range ordering as characterized by the fractions of SROs.

  16. Statistical Short-Range Guidance for Peak Wind Forecasts on Kennedy Space Center/Cape Canaveral Air Force Station, Phase III

    NASA Technical Reports Server (NTRS)

    Crawford, Winifred

    2010-01-01

    This final report describes the development of a peak wind forecast tool to assist forecasters in determining the probability of violating launch commit criteria (LCC) at Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS). The peak winds are an important forecast element for both the Space Shuttle and Expendable Launch Vehicle (ELV) programs. The LCC define specific peak wind thresholds for each launch operation that cannot be exceeded in order to ensure the safety of the vehicle. The 45th Weather Squadron (45 WS) has found that peak winds are a challenging parameter to forecast, particularly in the cool season months of October through April. Based on the importance of forecasting peak winds, the 45 WS tasked the Applied Meteorology Unit (AMU) to develop a short-range peak-wind forecast tool to assist in forecasting LCC violations.The tool includes climatologies of the 5-minute mean and peak winds by month, hour, and direction, and probability distributions of the peak winds as a function of the 5-minute mean wind speeds.

  17. A new variation of the Buckingham exponential-6 potential with a tunable, singularity-free short-range repulsion and an adjustable long-range attraction

    SciTech Connect

    Werhahn, Jasper C.; Miliordos, Evangelos; Xantheas, Sotiris S.

    2015-01-05

    We introduce new generalized (reverting to the original) and extended (not reverting to the original) 4-parameter forms of the (B-2) Potential Energy Function (PEF) of Wang etal. (L.-P. Wang, J. Chen and T. van Voorhis, J. Chem. Theor. Comp. 9, 452 (2013)), which is itself a modification of the Buckingham exponential-6 PEF. The new forms have a tunable, singularity-free short-range repulsion and an adjustable long-range attraction. They produce fits to high quality ab initio data for the X–(H2O), X=F, Cl, Br, I and M+(H2O), M=Li, Na, K, Rb, Cs dimers that are between 1 and 2 orders of magnitude better than the original 3-parameter (B-2) and modified Buckingham exponential-6 PEFs. They are also slightly better than the 4-parameter generalized Buckingham exponential-6(gBe-6) and of comparable quality with the 4-parameter extended Morse (eM) PEFs introduced recently by us.

  18. Correlation of atomic packing with the boson peak in amorphous alloys

    SciTech Connect

    Yang, W. M.; Liu, H. S. E-mail: blshen@seu.edu.cn E-mail: jiangjz@zju.edu.cn; Zhao, Y. C.; Liu, X. J.; Chen, G. X.; Man, Q. K.; Chang, C. T.; Li, R. W. E-mail: blshen@seu.edu.cn E-mail: jiangjz@zju.edu.cn; Dun, C. C.; Shen, B. L. E-mail: blshen@seu.edu.cn E-mail: jiangjz@zju.edu.cn; Inoue, A.; and others

    2014-09-28

    Boson peaks (BP) have been observed from phonon specific heats in 10 studied amorphous alloys. Two Einstein-type vibration modes were proposed in this work and all data can be fitted well. By measuring and analyzing local atomic structures of studied amorphous alloys and 56 reported amorphous alloys, it is found that (a) the BP originates from local harmonic vibration modes associated with the lengths of short-range order (SRO) and medium-range order (MRO) in amorphous alloys, and (b) the atomic packing in amorphous alloys follows a universal scaling law, i.e., the ratios of SRO and MRO lengths to solvent atomic diameter are 3 and 7, respectively, which exact match with length ratios of BP vibration frequencies to Debye frequency for the studied amorphous alloys. This finding provides a new perspective for atomic packing in amorphous materials, and has significant implications for quantitative description of the local atomic orders and understanding the structure-property relationship.

  19. Interatomic Potential for Hydrocarbons on the Basis of the Modified Embedded-Atom Method with Bond Order (MEAM-BO).

    PubMed

    Mun, Sungkwang; Bowman, Andrew L; Nouranian, Sasan; Gwaltney, Steven R; Baskes, Michael I; Horstemeyer, Mark F

    2017-02-23

    In this paper, we develop a new modified embedded atom method (MEAM) potential that includes the bond order (MEAM-BO) to describe the energetics of unsaturated hydrocarbons (double and triple carbon bonds) and also develop improved parameters for saturated hydrocarbons from those of our previous work. Such quantities like bond lengths, bond angles, and atomization energies at 0 K, dimer molecule interactions, rotational barriers, and the pressure-volume-temperature relationships of dense systems of small molecules give a comparable or more accurate property relative to experimental and first-principles data than the classical reactive force fields REBO and ReaxFF. Our extension of the MEAM potential for unsaturated hydrocarbons (MEAM-BO) is a step toward developing more reliable and accurate polymer simulations with their associated structure-property relationships, such as reactive multicomponent (organic/metal) systems, polymer-metal interfaces, and nanocomposites. When the constants for the BO are zero, MEAM-BO reduces to the original MEAM potential. As such, this MEAM-BO potential describing the interaction of organic materials with metals within the same MEAM formalism is a significant advancement for computational materials science.

  20. An advanced fabrication method of highly ordered ZnO nanowire arrays on silicon substrates by atomic layer deposition.

    PubMed

    Subannajui, Kittitat; Güder, Firat; Danhof, Julia; Menzel, Andreas; Yang, Yang; Kirste, Lutz; Wang, Chunyu; Cimalla, Volker; Schwarz, Ulrich; Zacharias, Margit

    2012-06-15

    In this work, the controlled fabrication of highly ordered ZnO nanowire (NW) arrays on silicon substrates is reported. Si NWs fabricated by a combination of phase shift lithography and etching are used as a template and are subsequently substituted by ZnO NWs with a dry-etching technique and atomic layer deposition. This fabrication technique allows the vertical ZnO NWs to be fabricated on 4 in Si wafers. Room temperature photoluminescence and micro-photoluminescence are used to observe the optical properties of the atomic layer deposition (ALD) based ZnO NWs. The sharp UV luminescence observed from the ALD ZnO NWs is unexpected for the polycrystalline nanostructure. Surprisingly, the defect related luminescence is much decreased compared to an ALD ZnO film deposited at the same time ona plane substrate. Electrical characterization was carried out by using nanomanipulators. With the p-type Si substrate and the n-type ZnO NWs the nanodevices represent p–n NW diodes.The nanowire diodes show a very high breakthrough potential which implies that the ALD ZnO NWs can be used for future electronic applications.

  1. Investigation of atomic anti-site disorder and ferrimagnetic order in the half-metallic Heusler alloy Mn2VGa.

    PubMed

    Ramesh Kumar, K; Harish Kumar, N; Babu, P D; Venkatesh, S; Ramakrishnan, S

    2012-08-22

    The band structure calculation for the compound Mn(2)VGa carried out using the plane wave self-consistent field package with generalized gradient approximation shows that the compound is nearly half-metallic at the equilibrium lattice parameter. However, theoretical investigations have shown that a certain percentage of atomic anti-site disorder can destroy the half-metallic nature of the sample. Hence it is important to quantify the site disorder in these systems. We have deduced the percentage of atomic anti-site disorder from the refinement of the higher angle room temperature (300 K) neutron diffraction (ND) pattern and it was observed to be roughly 8% in our sample. The field variation of resistance recorded at different temperatures shows a positive slope at low temperatures and a negative slope at higher temperatures, indicating the half-metallic character at low temperatures. The ab initio calculations predict a ferrimagnetic ground state for this system. The analysis of the magnetic structure from ND data measured at 6 K yields magnetic moment values of 1.28 μ(B) and -0.7 μ(B) for Mn and V, respectively, confirming the ferrimagnetic ordering.

  2. Relativistic general-order coupled-cluster method for high-precision calculations: Application to the Al+ atomic clock

    NASA Astrophysics Data System (ADS)

    Kállay, Mihály; Nataraj, H. S.; Sahoo, B. K.; Das, B. P.; Visscher, Lucas

    2011-03-01

    We report the implementation of a general-order relativistic coupled-cluster method for performing high-precision calculations of atomic and molecular properties. As a first application, the black-body radiation shift of the Al+ clock has been estimated precisely. The computed shift relative to the frequency of the 3s21S0e→3s3p3P0o clock transition given by (-3.66±0.60)×10-18 calls for an improvement over the recent measurement with a reported result of (-9±3)×10-18 [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.104.070802 104, 070802 (2010)].

  3. High-order harmonic generation by atoms with traveling- and standing-wave pumps of relativistic intensity

    NASA Astrophysics Data System (ADS)

    Taranukhin, Vladimir D.; Shubin, Nickolay Yu.

    2002-05-01

    High-order harmonic generation (HHG) in laser fields of relativistic intensity is studied. It is shown that, owing to relativistic longitudinal displacement of the photoelectrons, significant HHG suppression occurs. Such suppression is greater for the low-frequency part of the HHG spectrum than for the high-frequency part. We propose to use a standing-wave pump instead of a traveling wave to overcome this effect and to enhance the efficiency of HHG. The efficiency of utilizing atoms in a standing wave decreases with growth in the pump intensity. However, in traveling-wave HHG the decrease in efficiency is still greater; therefore, using a standing wave allows one to obtain a HHG intensity that is essentially greater than in a traveling wave (for example, a gain factor of 102 can be achieved when one is pumping Ar8+ ions with a radiation of intensity 1018 W/cm2 and a wavelength of 0.3 μm).

  4. Planckian Information (Ip): A New Measure of Order in Atoms, Enzymes, Cells, Brains, Human Societies, and the Cosmos

    NASA Astrophysics Data System (ADS)

    Ji, Sungchul

    A new mathematical formula referred to as the Planckian distribution equation (PDE) has been found to fit long-tailed histograms generated in various fields of studies, ranging from atomic physics to single-molecule enzymology, cell biology, brain neurobiology, glottometrics, econophysics, and to cosmology. PDE can be derived from a Gaussian-like equation (GLE) by non-linearly transforming its variable, x, while keeping the y coordinate constant. Assuming that GLE represents a random distribution (due to its symmetry), it is possible to define a binary logarithm of the ratio between the areas under the curves of PDE and GLE as a measure of the non-randomness (or order) underlying the biophysicochemical processes generating long-tailed histograms that fit PDE. This new function has been named the Planckian information, IP, which (i) may be a new measure of order that can be applied widely to both natural and human sciences and (ii) can serve as the opposite of the Boltzmann-Gibbs entropy, S, which is a measure of disorder. The possible rationales for the universality of PDE may include (i) the universality of the wave-particle duality embedded in PDE, (ii) the selection of subsets of random processes (thereby breaking the symmetry of GLE) as the basic mechanism of generating order, organization, and function, and (iii) the quantity-quality complementarity as the connection between PDE and Peircean semiotics.

  5. Short-Range Characterization of the MeAr (Me=Zn, Cd) Ground-State Potentials from Fluorescence Spectra

    NASA Astrophysics Data System (ADS)

    Koperski, J.; Czajkowski, M.

    2002-04-01

    First-time observed D1(1Π)v‧=10→X0+(1Σ) fluorescence in ZnAr, and A0+(3Π)v‧=4→X0+ and D1(1Π)v‧=7,8→X0+ fluorescence in CdAr van der Waals (vdW) molecules were produced in a continuous supersonic molecular beam crossed with a pulsed dye-laser beam, following excitation of single vibronic levels. The dispersed fluorescence spectra displayed characteristic Condon internal diffraction (CID) patterns consisting of bound-free, reflection type, continuous spectra, and, in certain cases, bound-bound discrete features. An analysis of the A0+→X0+ and D1→X0+ bound-bound spectra indicates that Morse functions are adequate representations of the X0+ potential energy (PE) curves below their dissociation limits. In simulation of the A0+→X0+ and D1→X0+ bound-free spectra, the Morse, Lennard-Jones L-J(n-6), and Maitland-Smith M-S(n0,n1) functions were tested, and the respective M-S(11.3, 9.0) and M-S(10.6, 7.0) potentials were found to be good representations for the repulsive walls of the X0+ PE curves of ZnAr and CdAr, respectively, over the short range, R=2.45-4.38 Å (ZnAr) and R=2.85-4.31 Å (CdAr), of internuclear separations.

  6. The passive, human calf muscles in relation to standing: the short range stiffness lies in the contractile component.

    PubMed

    Loram, Ian D; Maganaris, Constantinos N; Lakie, Martin

    2007-10-15

    Using short duration perturbations, previous attempts to measure the intrinsic ankle stiffness during human standing have revealed a substantial stabilizing contribution (65-90% normalized to load stiffness 'mgh'). Others regard this method as unsuitable for the low-frequency conditions of quiet standing and believe the passive contribution to be small (10-15%). This latter view, consistent with a linear Hill-type model, argues that during standing, the contractile portion of the muscle is much less stiff than the tendon. Here, for upright subjects, we settle this issue by measuring the stiffness of the contractile portion of the passive calf muscles using low-frequency ankle rotations. Using ultrasound we tracked the changes in muscle contractile length and partitioned the ankle rotation into contractile and extra-contractile (series elastic) portions. Small ankle rotations of 0.15 and 0.4 deg show a contractile to series elastic stiffness ratio (K(ce)/K(se)) of 12 +/- 9 and 6.3 +/- 10, respectively, with both elements displaying predominantly elastic behaviour. Larger, 7 deg rotations reveal the range of this ratio. It declines in a non-linear way from a high value (K(ce)/K(se) = 18 +/- 11) to a low value (K(ce)/K(se) = 1 +/- 0.4) as rotation increases from 0.1 to 7 deg. There is a marked transition at around 0.5 deg. The series elastic stiffness (K(se)/mgh) remains largely constant (77 +/- 13%) demonstrating the contractile component origin of passive, short range stiffness. The linear Hill-type model does not describe the range-related stiffness relevant to the progression from quiet standing to perturbed balance and movement and can lead to inaccurate predictions regarding human balance.

  7. Short-range precipitation forecasts using assimilation of simulated satellite water vapor profiles and column cloud liquid water amounts

    NASA Technical Reports Server (NTRS)

    Wu, Xiaohua; Diak, George R.; Hayden, Cristopher M.; Young, John A.

    1995-01-01

    These observing system simulation experiments investigate the assimilation of satellite-observed water vapor and cloud liquid water data in the initialization of a limited-area primitive equations model with the goal of improving short-range precipitation forecasts. The assimilation procedure presented includes two aspects: specification of an initial cloud liquid water vertical distribution and diabatic initialization. The satellite data is simulated for the next generation of polar-orbiting satellite instruments, the Advanced Microwave Sounding Unit (AMSU) and the High-Resolution Infrared Sounder (HIRS), which are scheduled to be launched on the NOAA-K satellite in the mid-1990s. Based on cloud-top height and total column cloud liquid water amounts simulated for satellite data a diagnostic method is used to specify an initial cloud water vertical distribution and to modify the initial moisture distribution in cloudy areas. Using a diabatic initialization procedure, the associated latent heating profiles are directly assimilated into the numerical model. The initial heating is estimated by time averaging the latent heat release from convective and large-scale condensation during the early forecast stage after insertion of satellite-observed temperature, water vapor, and cloud water formation. The assimilation of satellite-observed moisture and cloud water, together withy three-mode diabatic initialization, significantly alleviates the model precipitation spinup problem, especially in the first 3 h of the forecast. Experimental forecasts indicate that the impact of satellite-observed temperature and water vapor profiles and cloud water alone in the initialization procedure shortens the spinup time for precipitation rates by 1-2 h and for regeneration of the areal coverage by 3 h. The diabatic initialization further reduces the precipitation spinup time (compared to adiabatic initialization) by 1 h.

  8. Fuel Cell Airframe Integration Study for Short-Range Aircraft. Volume 1; Aircraft Propulsion and Subsystems Integration Evaluation

    NASA Technical Reports Server (NTRS)

    Gummalla, Mallika; Pandy, Arun; Braun, Robert; Carriere, Thierry; Yamanis, Jean; Vanderspurt, Thomas; Hardin, Larry; Welch, Rick

    2006-01-01

    The objective of this study is to define the functionality and evaluate the propulsion and power system benefits derived from a Solid Oxide Fuel Cell (SOFC) based Auxiliary Power Unit (APU) for a future short range commercial aircraft, and to define the technology gaps to enable such a system. United Technologies Corporation (UTC) Integrated Total Aircraft Power System (ITAPS) methodologies were used to evaluate a baseline aircraft and several SOFC architectures. The technology benefits were captured as reductions of the mission fuel burn, life cycle cost, noise and emissions. As a result of the study, it was recognized that system integration is critical to maximize benefits from the SOFC APU for aircraft application. The mission fuel burn savings for the two SOFC architectures ranged from 4.7 percent for a system with high integration to 6.7 percent for a highly integrated system with certain technological risks. The SOFC APU itself produced zero emissions. The reduction in engine fuel burn achieved with the SOFC systems also resulted in reduced emissions from the engines for both ground operations and in flight. The noise level of the baseline APU with a silencer is 78 dBA, while the SOFC APU produced a lower noise level. It is concluded that a high specific power SOFC system is needed to achieve the benefits identified in this study. Additional areas requiring further development are the processing of the fuel to remove sulfur, either on board or on the ground, and extending the heat sink capability of the fuel to allow greater waste heat recovery, resolve the transient electrical system integration issues, and identification of the impact of the location of the SOFC and its size on the aircraft.

  9. Interferometric acquisition and fire control radar for short-range missile defense with optimized radar distribution (SWORD)

    NASA Astrophysics Data System (ADS)

    Smith, Ronald A.; Shipman, Mark; Holder, E. J.; Williams, James K.

    2002-07-01

    The United States Army Space and Missile Defense Command (USASMDC) has interest in a technology demonstration that capitalizes on investment in fire control and smart interceptor technologies that have matured beyond basic research. The concept "SWORD" (Short range missile defense With Optimized Radar Distribution) consists of a novel approach utilizing a missile interceptor and interferometric fire control radar. A hit-to-kill, closed-loop, command guidance scheme is planned that takes advantage of extremely accurate target and interceptor state vectors derived via the fire control radar. The fire control system has the capability to detect, track, and classify multiple threats in a tactical regime as well as simultaneously provide command guidance updates to multiple missile interceptors. The missile interceptor offers a cost reduction potential as well as an enhancement to the kinematics range and lethality over existing SHORAD systems. Additionally, the Radio Frequency (RF) guidance scheme offers increased battlefield weather performance. The Air Defense (AD) community, responding to current threat capabilities and trends, has identified an urgent need to have a capability to counter proliferated, low cost threats with a low cost-per-kill weapon system. The SWORD system will offer a solution that meets this need. The SWORD critical technologies will be identified including a detailed description of each. Validated test results and basic principles of operation will be presented to prove the merit of the past investments. The Deptuy Assistant Secretary of the Army for Research and Technology [DAS(R&T)] has a three-year Science and Technology Program to evaluate the errors and proposed mitigation techniques associated with target spectral dispersion and range gate straddle. Preliminary Bench-Top Experiment results will be presented in this paper.

  10. CFD simulation of short-range plume dispersion from a point release in an urban like environment

    NASA Astrophysics Data System (ADS)

    Kumar, Pramod; Feiz, Amir-Ali; Ngae, Pierre; Singh, Sarvesh Kumar; Issartel, Jean-Pierre

    2015-12-01

    An accurate simulation of the short-range plume dispersion of a hazardous pollutant in a geometrically complex urban region is a prerequisite in emergency preparedness and to assist regulators for developing effective policies. This study critically examines the real predictive capability of a three-dimensional Computational Fluid Dynamics (CFD) model, Fluidyn-PANACHE, to apply it in emergency contexts of an accidental or deliberate airborne release in urban regions. The model is evaluated with the Mock Urban Setting Test (MUST) field experiment of a continuous point source release in an idealized urban geometry of a regular array of shipping containers in various atmospheric stability varying from neutral to stable, and very stable conditions. The simulations are performed using three combinations (cases 1, 2, & 3) of inflow boundary conditions for wind and turbulence profiles. A detailed analysis with statistical measures shows that the performance of the Fluidyn-PANACHE against MUST experiment with all the three cases of the inflow boundary conditions is well achieved within the acceptable standards for air quality applications. The model with three cases 1, 2, & 3 predicts respectively 52.8%, 59.9%, and 67.9% of the total concentrations within a factor of two and shows an overall under-prediction. The sampling line maximum concentrations are better simulated by the CFD model with case-3 (95% within a factor of two) in comparison to other cases 1 & 2. A comparative statistical analysis is also performed with other evaluation studies in the literature for the averaged and sampling line maximum concentrations. The present evaluation of the Fluidyn-PANACHE strengthen the evidence that it is capable of dealing properly with the dispersion phenomena in geometrically complex urban environments.

  11. Effects of the interplay between atomic and magnetic order on the properties of metamagnetic Ni-Co-Mn-Ga shape memory alloys

    NASA Astrophysics Data System (ADS)

    Seguí, C.

    2014-03-01

    Ni-Co-Mn-Ga ferromagnetic shape memory alloys show metamagnetic behavior for a range of Co contents. The temperatures of the structural and magnetic transitions depend strongly on composition and atomic order degree, in such a way that combined composition and thermal treatment allows obtaining martensitic transformation between any magnetic state of austenite and martensite. This work presents a detailed analysis of the effect of atomic order on Ni-Co-Mn-Ga alloys through the evolution of structural and magnetic transitions after quench from high temperatures and during post-quest ageing. It is found that the way in which the atomic order affects the martensitic transformation temperatures and entropy depends on the magnetic order of austenite and martensite. The results can be explained assuming that improvement of atomic order decreases the free energy of the structural phases according to their magnetic order. However, it is assumed in this work that changes in the slope—that is, the entropy—of the Gibbs free energy curves are also decisive to the stability of the two-phase system. The experimental transformation entropy values have been compared with a phenomenological model, based on a Bragg-Williams approximation, accounting for the magnetic contribution. The excellent agreement obtained corroborates the magnetic origin of changes in transformation entropy brought about by atomic ordering.

  12. Effects of the interplay between atomic and magnetic order on the properties of metamagnetic Ni-Co-Mn-Ga shape memory alloys

    SciTech Connect

    Seguí, C.

    2014-03-21

    Ni-Co-Mn-Ga ferromagnetic shape memory alloys show metamagnetic behavior for a range of Co contents. The temperatures of the structural and magnetic transitions depend strongly on composition and atomic order degree, in such a way that combined composition and thermal treatment allows obtaining martensitic transformation between any magnetic state of austenite and martensite. This work presents a detailed analysis of the effect of atomic order on Ni-Co-Mn-Ga alloys through the evolution of structural and magnetic transitions after quench from high temperatures and during post-quest ageing. It is found that the way in which the atomic order affects the martensitic transformation temperatures and entropy depends on the magnetic order of austenite and martensite. The results can be explained assuming that improvement of atomic order decreases the free energy of the structural phases according to their magnetic order. However, it is assumed in this work that changes in the slope—that is, the entropy—of the Gibbs free energy curves are also decisive to the stability of the two-phase system. The experimental transformation entropy values have been compared with a phenomenological model, based on a Bragg–Williams approximation, accounting for the magnetic contribution. The excellent agreement obtained corroborates the magnetic origin of changes in transformation entropy brought about by atomic ordering.

  13. Mapping orientational order in a bulk heterojunction solar cell with polarization-dependent photoconductive atomic force microscopy.

    PubMed

    Takacs, Christopher J; Collins, Samuel D; Love, John A; Mikhailovsky, Alexander A; Wynands, David; Bazan, Guillermo C; Nguyen, Thuc-Quyen; Heeger, Alan J

    2014-08-26

    New methods connecting molecular structure, self-organization, and optoelectronic performance are important for understanding the current generation of organic photovoltaic (OPV) materials. In high power conversion efficiency (PCE) OPVs, light-harvesting small-molecules or polymers are typically blended with fullerene derivatives and deposited in thin films, forming a bulk heterojunction (BHJ), a self-assembled three-dimensional nanostructure of electron donors and acceptors that separates and transports charges. Recent data suggest micrometer-scale orientational order of donor domains exists within this complex nanomorphology, but the link to the optoelectronic properties is yet unexplored. Here we introduce polarization-dependent, photoconductive atomic force microscopy (pd-pcAFM) as a combined probe of orientational order and nanoscale optoelectronic properties (∼20 nm resolution). Using the donor 7,7'-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl)bis(6-fluoro-4-(5'-hexyl[2,2'-bithiophen]-5-yl)benzo[c][1,2,5]thiadiazole), p-DTS(FBTTh2)2, we show significant spatial dependence of the nanoscale photocurrent with polarized light in both pristine and BHJ blends (up to 7.0% PCE) due to the local alignment of the molecular transition dipoles. By mapping the polarization dependence of the nanoscale photocurrent, we estimate the molecular orientation and orientational order parameter. Liquid crystalline disclinations are observed in all films, in agreement with complementary electron microscopy experiments, and the order parameter exceeds 0.3. The results demonstrate the utility of pd-pcAFM to investigate the optical/structural anisotropy that exists within a well-performing BHJ system and its relationship to optoelectronic properties on both the nanometer and micrometer length scales.

  14. Synthetically Tuned Atomic Ordering in PdCu Nanoparticles with Enhanced Catalytic Activity toward Solvent-Free Benzylamine Oxidation.

    PubMed

    Marakatti, Vijaykumar S; Sarma, Saurav Ch; Joseph, Boby; Banerjee, Dipanjan; Peter, Sebastian C

    2017-02-01

    Synthesis of ordered compounds with nano size is of particular interest for tuning the surface properties with enhanced activity and selectivity toward various important industrial catalytic processes. In this work, we synthesized ordered PdCu nanoparticles as highly efficient catalyst for the solvent-free aerobic oxidation of benzylamine. The PdxCu1-x catalysts with different chemical compositions (x = 0, 0.25, 0.4, 0.5, 0.6, 0.75, 1) were prepared by polyol method using NaBH4 as a reducing agent and were well-characterized by X-ray diffraction (XRD), inductively coupled plasma optical emission spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy (TEM) energy-dispersive analysis of X-rays, and X-ray absorption fine structure. The effect of different metal concentrations of Pd and Cu on the formation of PdxCu1-x nanoparticles was investigated. The XRD and TEM confirmed the formation of ordered PdCu intermetallic phase with body-centered cubic (BCC) structure for the synthetic composition of Pd/Cu = 1:1. For compositions x = 0, 0.25, 0.75, and 1, PdxCu1-x alloy with face-centered cubic (FCC) structure was observed, whereas mixed phase of BCC and FCC was observed for x = 0.4 and 0.6. The use of strong reducing agent (NaBH4) was essential to synthesize PdCu ordered phase compared to weak reducing agents such as oleylamine and ascorbic acid. The PdCu nanocatalyst with ordered structure (BCC) showed excellent catalytic activity compared to PdxCu1-x alloy nanoparticles with FCC structure. The atomic ordering in the PdCu intermetallic was the driving force for the enhancement in the catalytic activity with high benzylamine conversion of 94.0% and dibenzylimine selectivity of 92.2% compared to its monometallic and alloy counterparts. Moreover, ordered PdCu alloy showed good recyclability and activity toward the oxidation of different amines.

  15. High-order harmonic emission in bowtie-shaped nanostructure with few-cycle spatially inhomogeneous laser fields when the atom is placed at different spatial positions

    NASA Astrophysics Data System (ADS)

    Luo, Xiang-Yi; Wang, Tian; Wang, Qun; Liu, Xue-Shen

    2016-11-01

    In this study, we investigate the harmonic spectra in the vicinity of the center of the nanostructure gap when helium atom is placed at different spatial positions. We find that the high-order harmonic spectra is very sensitive to the atomic spatial positions in a inhomogeneous laser field. When the initial atomic spatial position is changed from  -9.0 a.u. to 9.0 a.u., the cutoff of the high-order harmonic generation (HHG) can be extended, and the supercontinuum harmonic spectrum of the second plateau is extended to the high-order and the low-order simultaneously. The HHG process is demonstrated by using the time-frequency analysis, the semi-classical three-step model and the ionization probability.

  16. ATOMIC-SCALE OBSERVATION OF STRUCTURAL AND ELECTRONIC ORDERS IN THE LAYERED COMPOUND -RuCl3

    DOE PAGES

    Ziatdinov, Maxim A; Banerjee, Arnab; Maksov, Artem B; ...

    2016-01-01

    A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, -RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of -RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at themore » nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of 0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual -RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.« less

  17. ATOMIC-SCALE OBSERVATION OF STRUCTURAL AND ELECTRONIC ORDERS IN THE LAYERED COMPOUND -RuCl3

    SciTech Connect

    Ziatdinov, Maxim A; Banerjee, Arnab; Maksov, Artem B; Berlijn, Tom; Zhou, Wu; Cao, Huibo; Yan, Jiaqiang; Bridges, Craig A; Mandrus, D.; Nagler, Stephen E; Baddorf, Arthur P; Kalinin, Sergei V

    2016-01-01

    A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, -RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of -RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of 0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual -RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.

  18. Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl3

    PubMed Central

    Ziatdinov, M.; Banerjee, A.; Maksov, A.; Berlijn, T.; Zhou, W.; Cao, H. B.; Yan, J.-Q.; Bridges, C. A.; Mandrus, D. G.; Nagler, S. E.; Baddorf, A. P.; Kalinin, S. V.

    2016-01-01

    A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, α-RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of α-RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of ≈0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual α-RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface. PMID:27941761

  19. Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl3

    NASA Astrophysics Data System (ADS)

    Ziatdinov, M.; Banerjee, A.; Maksov, A.; Berlijn, T.; Zhou, W.; Cao, H. B.; Yan, J.-Q.; Bridges, C. A.; Mandrus, D. G.; Nagler, S. E.; Baddorf, A. P.; Kalinin, S. V.

    2016-12-01

    A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, α-RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of α-RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of ~0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual α-RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.

  20. Synthesis of carbon nanofibers by CVD as a catalyst support material using atomically ordered Ni3C nanoparticles

    NASA Astrophysics Data System (ADS)

    Li, Meifeng; Li, Na; Shao, Wei; Zhou, Chungen

    2016-12-01

    Atomically ordered nickel carbide (Ni3C) nanoparticles in polygonal shapes were prepared through the reduction of nickelocene. A novel type of carbon nanofiber (CNF) with twisted conformation was synthesized successfully by catalytic chemical vapor deposition (CCVD) using the obtained Ni3C nanoparticles at a relatively low temperature of 350 °C, which is below the lower limit temperature of 400 °C for the growth of CNFs using metal catalysts. The growth mechanism of the twisted CNFs from Ni3C was freshly derived based on the detailed characterizations. Compared with the growth of CNFs from Ni, graphene layers nucleate at monoatomic step edges and grow in a layer-by-layer manner, while the rotation of the polygonal Ni3C nanoparticles fabricates the twisted conformation during the CNF growth. The electrochemical activity and performance of the twisted CNFs loaded with Pt as electrode catalysts for a polymer electrolyte membrane fuel cell (PEMFC) were measured to be better than those of straight CNFs grown from Ni nanoparticles at 500 °C, since the specific surface conformation helps to make the loaded Pt more homogeneous.

  1. Spin-orbital short-range order in the honeycomb-based quantum magnet Ba3CuSb2O9

    NASA Astrophysics Data System (ADS)

    Nakatsuji, Satoru

    2013-03-01

    The realization of quantum correlated matter beyond one dimension has been vigorously pursued in geometrically frustrated spin systems for decades. In frustrated magnetic materials, however, symmetry breaking of orbital and chemical origin is usually found to induce semi-classical spin freezing. In this talk, I present a contrast case where spins and possibly orbitals remain in a liquid state down to low temperature even in a highly disordered structure of 6H-perovskite Ba3CuSb2O9. Our comprehensive experimental analysis indicates that the geometrical frustration of Wannier's Ising antiferromagnet on a triangular lattice can be exploited to build a nano-structured bipartite honeycomb lattice from electric dipolar spin-1/2 molecules. Despite a strong local Jahn-Teller distortion about the Cu2+ ion, the resulting spin-orbital random bond lattice not only retains hexagonal symmetry averaged over time and space, but it supports a gapless excitation spectrum without spin freezing down to ultralow temperatures. This is the work based on the collaboration with K. Kuga, K. Kimura, R. Satake, N. Katayama, E. Nishibori, H. Sawa, R. Ishii, M. Hagiwara, F. Bridges, T. U. Ito, W. Higemoto, Y. Karaki, M. Halim, A. A. Nugroho, J. A. Rodriguez-Rivera, M. A. Green, C. Broholm. This work is partially supported by Grant-in-Aid for Scientific Research (No. 20340089,21684019) from JSPS, by Grant-in-Aid for Scientific Research on Priority Areas (No. 1951010,19052003) from MEXT, Japan.

  2. Detection of short range order in SiO2 thin-films by grazing-incidence wide and small-angle X-ray scattering

    NASA Astrophysics Data System (ADS)

    Nagata, Kohki; Ogura, Atsushi; Hirosawa, Ichiro; Suwa, Tomoyuki; Teramoto, Akinobu; Ohmi, Tadahiro

    2016-04-01

    The effects of the fabrication process conditions on the microstructure of silicon dioxide thin films of <10 nm thickness are presented. The microstructure was investigated using grazing-incidence wide and small-angle X-ray scattering methods with synchrotron radiation. The combination of a high brilliance light source and grazing incident configuration enabled the observation of very weak diffuse X-ray scattering from SiO2 thin films. The results revealed different microstructures, which were dependent on oxidizing species or temperature. The micro-level properties differed from bulk properties reported in the previous literature. It was indicated that these differences originate from inner stress. The detailed structure in an amorphous thin film was not revealed owing to detection difficulties.

  3. Short-range order and fractal cluster structure of aggregates of barium titanate microparticles in a composite based on cyano-ethyl ester of polyvinyl alcohol

    NASA Astrophysics Data System (ADS)

    Krasovskii, A. N.; Novikov, D. V.; Vasina, E. S.; Matveichikova, P. V.; Sychev, M. M.; Rozhkova, N. N.

    2015-12-01

    The distribution of barium titanate (BaTiO3) microparticles in the matrix of cyano-ethyl ester of polyvinyl alcohol and the change in the surface energy upon introduction of shungite carbon nanoclusters into the dielectric composite have been investigated using the methods of scanning electron microscopy and contact angles. The computer processing of the electron microscopy data has demonstrated that the introduction of 0.04% shungite carbon nanoparticles into the composite leads to a decrease in the spatial homogeneity of the quasi-lattice and to an increase in the local density distribution of BaTiO3 microparticles, as well as in the correlation length corresponding to the formation of an infinite cluster of BaTiO3 particles. It has been found that, in this case, the surface energy and dielectric permittivity of the composite extremely increase.

  4. Diffuse X-Ray Scattering and Oxygen Short-Range Ordering Studies of Tetragonal Yttrium BARIUM(2) (COPPER(1 - ALUMINUM(X))(3) OXYGEN(7) Single Crystals

    NASA Astrophysics Data System (ADS)

    Jiang, Xiaogang

    1992-01-01

    Single crystals of tetragonal YBa_2(Cu _{1-x}Al_{x})_3O _7 were studied by means of x-ray diffraction. It was found from crystallography that Al impurities essentially go to Cu(1) sites in the chain plane. Diffuse synchrotron x-ray scattering from tetragonal single crystals of YBa _2(Cu_{1-x}Al_{x}) _3O_7 showed streaking in (110) directions about Bragg peaks. Through quantitative calculations using a coupled concentration wave, static displacement wave approach, we have shown that this is essentially attributable to the displacement field produced by a disordered oxygen array on the Cu(1)-O "chain" plane. Monte Carlo simulations were performed using the asymmetric next nearest neighbor interaction (ASNNNI) model. From the resulting oxygen concentration fluctuations, the displacement-induced diffuse x-ray scattering intensity was calculated. By comparing the calculation with the measured diffuse intensity, we determined the effective Al-O binding energy which is used in the final Monte Carlo simulation. From the oxygen configurations in a typical Monte Carlo snapshot the average length of the Cu-O chain in tetragonal YBa_2(Cu_ {1-x}Al_{x})_3O_7, with x = 0.045, was found to be ~ 30A.

  5. Gold-decorated highly ordered self-organized grating-like nanostructures on Ge surface: Kelvin probe force microscopy and conductive atomic force microscopy studies.

    PubMed

    Mollick, Safiul Alam; Kumar, Mohit; Singh, Ranveer; Satpati, Biswarup; Ghose, Debabrata; Som, Tapobrata

    2016-10-28

    Nanoarchitecture by atomic manipulation is considered to be one of the emerging trends in advanced functional materials. It has a gamut of applications to offer in nanoelectronics, chemical sensing, and nanobiological science. In particular, highly ordered one-dimensional semiconductor nanostructures fabricated by self-organization methods are in high demand for their high aspect ratios and large number of applications. An efficient way of fabricating semiconductor nanostructures is by molecular beam epitaxy, where atoms are added to a crystalline surface at an elevated temperature during growth, yielding the desired structures in a self-assembled manner. In this article, we offer a room temperature process, in which atoms are sputtered away by ion impacts. Using gold ion implantation, the present study reports on the formation of highly ordered self-organized long grating-like nanostructures, with grooves between them, on a germanium surface. The ridges of the patterns are shown to have flower-like protruding nanostructures, which are mostly decorated by gold atoms. By employing local probe microscopic techniques like Kelvin probe force microscopy and conductive atomic force microscopy, we observe a spatial variation in the work function and different nanoscale electrical conductivity on the ridges of the patterns and the grooves between them, which can be attributed to gold atom decorated ridges. Thus, the architecture  presented offers the advantage of using the patterned germanium substrates as periodic arrays of conducting ridges and poorly conducting grooves between them.

  6. Gold-decorated highly ordered self-organized grating-like nanostructures on Ge surface: Kelvin probe force microscopy and conductive atomic force microscopy studies

    NASA Astrophysics Data System (ADS)

    Alam Mollick, Safiul; Kumar, Mohit; Singh, Ranveer; Satpati, Biswarup; Ghose, Debabrata; Som, Tapobrata

    2016-10-01

    Nanoarchitecture by atomic manipulation is considered to be one of the emerging trends in advanced functional materials. It has a gamut of applications to offer in nanoelectronics, chemical sensing, and nanobiological science. In particular, highly ordered one-dimensional semiconductor nanostructures fabricated by self-organization methods are in high demand for their high aspect ratios and large number of applications. An efficient way of fabricating semiconductor nanostructures is by molecular beam epitaxy, where atoms are added to a crystalline surface at an elevated temperature during growth, yielding the desired structures in a self-assembled manner. In this article, we offer a room temperature process, in which atoms are sputtered away by ion impacts. Using gold ion implantation, the present study reports on the formation of highly ordered self-organized long grating-like nanostructures, with grooves between them, on a germanium surface. The ridges of the patterns are shown to have flower-like protruding nanostructures, which are mostly decorated by gold atoms. By employing local probe microscopic techniques like Kelvin probe force microscopy and conductive atomic force microscopy, we observe a spatial variation in the work function and different nanoscale electrical conductivity on the ridges of the patterns and the grooves between them, which can be attributed to gold atom decorated ridges. Thus, the architecture presented offers the advantage of using the patterned germanium substrates as periodic arrays of conducting ridges and poorly conducting grooves between them.

  7. Atomic structure evolution during solidification of liquid niobium from ab initio molecular dynamics simulations

    SciTech Connect

    Debela, T. T.; Wang, X. D.; Cao, Q. P.; Zhang, D. X.; Wang, S. Y.; Wang, Cai-Zhuang; Jiang, J. Z.

    2013-12-12

    Atomic structure transitions of liquid niobium during solidification, at different temperatures from 3200 to 1500 K, were studied by using ab initio molecular dynamics simulations. The local atomic structure variations with temperature are investigated by using the pair-correlation function, the structure factor, the bond-angle distribution function, the Honeycutt–Anderson index, Voronoi tessellation and the cluster alignment methods. Our results clearly show that, upon quenching, the icosahedral short-range order dominates in the stable liquid and supercooled liquid states before the system transforms to crystalline body-center cubic phase at a temperature of about 1830 K.

  8. Template-directed atomically precise self-organization of perfectly ordered parallel cerium silicide nanowire arrays on Si(110)-16 × 2 surfaces

    PubMed Central

    2013-01-01

    The perfectly ordered parallel arrays of periodic Ce silicide nanowires can self-organize with atomic precision on single-domain Si(110)-16 × 2 surfaces. The growth evolution of self-ordered parallel Ce silicide nanowire arrays is investigated over a broad range of Ce coverages on single-domain Si(110)-16 × 2 surfaces by scanning tunneling microscopy (STM). Three different types of well-ordered parallel arrays, consisting of uniformly spaced and atomically identical Ce silicide nanowires, are self-organized through the heteroepitaxial growth of Ce silicides on a long-range grating-like 16 × 2 reconstruction at the deposition of various Ce coverages. Each atomically precise Ce silicide nanowire consists of a bundle of chains and rows with different atomic structures. The atomic-resolution dual-polarity STM images reveal that the interchain coupling leads to the formation of the registry-aligned chain bundles within individual Ce silicide nanowire. The nanowire width and the interchain coupling can be adjusted systematically by varying the Ce coverage on a Si(110) surface. This natural template-directed self-organization of perfectly regular parallel nanowire arrays allows for the precise control of the feature size and positions within ±0.2 nm over a large area. Thus, it is a promising route to produce parallel nanowire arrays in a straightforward, low-cost, high-throughput process. PMID:24188092

  9. Structure of ordered and disordered {alpha}-brass

    SciTech Connect

    Mu''ller, S.; Zunger, Alex

    2001-03-01

    Alloys of copper and zinc (brass) have been widely used since Neolithic times due to the discovery that unlike regular copper this alloy can be worked ''cold'' around a 3:1 copper-to-zinc ratio. While it is now known that the as-grown system is a disordered fcc solid solution, no 3:1 ordered phase has yet been directly observed even though the negative mixing enthalpy of the disordered alloy suggests ordering tendencies. Moreover, neutron scattering experiments have been deduced that this disordered alloy contains peculiar chains of Zn atoms. We have expressed the first-principles calculated total energy of general Cu-Zn fcc-lattice configurations using a mixed-space cluster expansion. Application of Monte Carlo--simulated annealing to this generalized Ising-like Hamiltonian produces the predicted low-temperature ground state as well as finite-temperature phase diagram and short-range order. We find (i) that at low temperature the disordered fcc alloy will order into the DO{sub 23} structure, (ii) the high-temperature short-range order in close agreement with experiment, and (iii) chains of Zn atoms in the [001] direction, as seen experimentally. Furthermore, our model allows a detailed study of the influence and importance of strain on the phase stability.

  10. Long range ordered magnetic and atomic structures of the quasicrystal approximant in the Tb-Au-Si system

    NASA Astrophysics Data System (ADS)

    Gebresenbut, Girma; Svante Andersson, Mikael; Beran, Přemysl; Manuel, Pascal; Nordblad, Per; Sahlberg, Martin; Pay Gomez, Cesar

    2014-08-01

    The atomic and magnetic structure of the 1/1 Tb(14)Au(70)Si(16) quasicrystal approximant has been solved by combining x-ray and neutron diffraction data. The atomic structure is classified as a Tsai-type 1/1 approximant with certain structural deviations from the prototype structures; there are additional atomic positions in the so-called cubic interstices as well as in the cluster centers. The magnetic property and neutron diffraction measurements indicate the magnetic structure to be ferrimagnetic-like below 9 K in contrast to the related Gd(14)Au(70)Si(16) structure that is reported to be purely ferromagnetic.

  11. Experimental evidence that short-range intermolecular aggregation is sufficient for efficient charge transport in conjugated polymers

    PubMed Central

    Wang, Suhao; Fabiano, Simone; Himmelberger, Scott; Puzinas, Skomantas; Crispin, Xavier; Salleo, Alberto; Berggren, Magnus

    2015-01-01

    Efficiency, current throughput, and speed of electronic devices are to a great extent dictated by charge carrier mobility. The classic approach to impart high carrier mobility to polymeric semiconductors has often relied on the assumption that extensive order and crystallinity are needed. Recently, however, this assumption has been challenged, because high mobility has been reported for semiconducting polymers that exhibit a surprisingly low degree of order. Here, we show that semiconducting polymers can be confined into weakly ordered fibers within an inert polymer matrix without affecting their charge transport properties. In these conditions, the semiconducting polymer chains are inhibited from attaining long-range order in the π-stacking or alkyl-stacking directions, as demonstrated from the absence of significant X-ray diffraction intensity corresponding to these crystallographic directions, yet still remain extended along the backbone direction and aggregate on a local length scale. As a result, the polymer films maintain high mobility even at very low concentrations. Our findings provide a simple picture that clarifies the role of local order and connectivity of domains. PMID:26261305

  12. Atomic structure of amorphous Mg40Cu35Ti25 alloy: An ab initio molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Durandurdu, Murat

    2013-01-01

    Ab initio molecular dynamics simulations are carried out to model amorphous Mg40Cu35Ti25 and its local structural packing are investigated using a variety of analyzing techniques. Cu-atoms commonly form 12 fold coordinated clusters and some of which are perfect or defective types icosahedrons, implying an icosohedral short range order around Cu atoms. Mg and Ti atoms, on the other hand, favor to structure in higher coordinated polyhedrons. The coordination number of Ti atoms is slightly less than Mg atoms. The immiscibility effect between Ti and Mg is reflected by a low fraction of Mg-Ti bonding in the model. The atomic packing of Mg40Cu35Ti25 appears to be noticeably different from that of Mg-Cu-X (X=Y and Gd) metallic glasses even though all these materials exhibit primarily the same type of bonding natures.

  13. Statistics of regional surface temperatures post year 1900. Long-range versus short-range dependence, and significance of warming trends.

    NASA Astrophysics Data System (ADS)

    Løvsletten, Ola; Rypdal, Martin; Rypdal, Kristoffer; Fredriksen, Hege-Beate

    2015-04-01

    We explore the statistics of instrumental surface temperature records on 5°× 5°, 2°× 2°, and equal-area grids. In particular, we compute the significance of determinstic trends against two parsimonious null models; auto-regressive processes of order 1, AR(1), and fractional Gaussian noises (fGn's). Both of these two null models contain a memory parameter which quantifies the temporal climate variability, with white noise nested in both classes of models. Estimates of the persistence parameters show significant positive serial correlation for most grid cells, with higher persistence over occeans compared to land areas. This shows that, in a trend detection framework, we need to take into account larger spurious trends than what follows from the frequently used white noise assumption. Tested against the fGn null hypothesis, we find that ~ 68% (~ 47%) of the time series have significant trends at the 5% (1%) significance level. If we assume an AR(1) null hypothesis instead, then the result is that ~ 94% (~ 88%) of the time series have significant trends at the 5% (1%) significance level. For both null models, the locations where we do not find significant trends are mostly the ENSO regions and the North-Atlantic. We try to discriminate between the two null models by means of likelihood-ratios. If we at each grid point choose the null model preferred by the model selection test, we find that ~ 82% (~ 73%) of the time series have significant trends at the 5% (1%). We conclude that there is emerging evidence of significant warming trends also at regional scales, although with a much lower signal-to-noise ratio compared to global mean temperatures. Another finding is that many temperature records are consistent with error models for internal variability that exhibit long-range dependence, whereas the temperature fluctuations of the tropical oceans are strongly influenced by the ENSO, and therefore seemingly more consistent with random processes with short-range

  14. Impressive Transmission Mode Electromagnetic Interference Shielding Parameters of Graphene-like Nanocarbon/Polyurethane Nanocomposites for Short Range Tracking Countermeasures.

    PubMed

    Kumar, Arvind; Alegaonkar, Prashant S

    2015-07-15

    Shielding the microwave signature (8.2-12.4 GHz, X-band) of a locked in target is a tactically important electronic countermeasure. Herein, we report on mitigation in X-band transmission mode shielding parameters for polyurethane (PU), after incorporating graphene-like nanocarbon sheets (GNCs). Initially, PU and variable weight percent (1-25) GNCs/PU paste samples were subjected to Fourier transform infrared, Raman spectroscopy, and scanning electron microscopy. These samples were molded into toroidal shaped specimens by adiabatic hot-pressing technique, for microwave scattering measurements. Parameters, such as complex permittivity (ϵ'-jϵ″), alternating current (ac) conductivity, skin thickness, transmission (S21), effective transmission loss (SET), and shielding effectiveness were determined, in addition to direct current (dc) conductivity. The real and imaginary components are increased, respectively, by ∼5 and ∼30 times, whereas loss tangent, by ∼7, at 25 wt % loading of GNCs. The ac conductivity is enhanced from 0.248 (PU) to 7.288 S/m (25 wt %) by maximizing transmission loss to -26.45 dB (99.9%) and minimizing thickness to 1-2 mm. The dc percolation threshold is found to be low at ∼5 wt %, indicating superior dispersibility of GNCs, thereafter. In analysis, the atomic polarization (at ∼10 GHz) associated with the aromatic urethane amide rings acts as a backbone to engage incident electromagnetic field wiggles. The coupling occurs via charge transfer polarization currents at doubly bonded nitrogen, oxygen, and hydrosorpted sp3 carbon sites in GNCs. The field-matter interaction is dominant at the microvoid skin interface between GNCs and PU. Possible polarization mechanism is explained. The GNCs/PU nanocomposites are realized as an effective electromagnetic interference shielding block in the tracking band. The details are presented.

  15. Three-Dimensional ISAR Imaging Method for High-Speed Targets in Short-Range Using Impulse Radar Based on SIMO Array

    PubMed Central

    Zhou, Xinpeng; Wei, Guohua; Wu, Siliang; Wang, Dawei

    2016-01-01

    This paper proposes a three-dimensional inverse synthetic aperture radar (ISAR) imaging method for high-speed targets in short-range using an impulse radar. According to the requirements for high-speed target measurement in short-range, this paper establishes the single-input multiple-output (SIMO) antenna array, and further proposes a missile motion parameter estimation method based on impulse radar. By analyzing the motion geometry relationship of the warhead scattering center after translational compensation, this paper derives the receiving antenna position and the time delay after translational compensation, and thus overcomes the shortcomings of conventional translational compensation methods. By analyzing the motion characteristics of the missile, this paper estimates the missile’s rotation angle and the rotation matrix by establishing a new coordinate system. Simulation results validate the performance of the proposed algorithm. PMID:26978372

  16. Three-Dimensional ISAR Imaging Method for High-Speed Targets in Short-Range Using Impulse Radar Based on SIMO Array.

    PubMed

    Zhou, Xinpeng; Wei, Guohua; Wu, Siliang; Wang, Dawei

    2016-03-11

    This paper proposes a three-dimensional inverse synthetic aperture radar (ISAR) imaging method for high-speed targets in short-range using an impulse radar. According to the requirements for high-speed target measurement in short-range, this paper establishes the single-input multiple-output (SIMO) antenna array, and further proposes a missile motion parameter estimation method based on impulse radar. By analyzing the motion geometry relationship of the warhead scattering center after translational compensation, this paper derives the receiving antenna position and the time delay after translational compensation, and thus overcomes the shortcomings of conventional translational compensation methods. By analyzing the motion characteristics of the missile, this paper estimates the missile's rotation angle and the rotation matrix by establishing a new coordinate system. Simulation results validate the performance of the proposed algorithm.

  17. Procedures for the interpretation and use of elevation scanning laser/multi-sensor data for short range hazard detection and avoidance for an autonomous planetary rover

    NASA Technical Reports Server (NTRS)

    Troiani, N.; Yerazunis, S. W.

    1978-01-01

    An autonomous roving science vehicle that relies on terrain data acquired by a hierarchy of sensors for navigation was one method of carrying out such a mission. The hierarchy of sensors included a short range sensor with sufficient resolution to detect every possible obstacle and with the ability to make fast and reliable terrain characterizations. A multilaser, multidetector triangulation system was proposed as a short range sensor. The general system was studied to determine its perception capabilities and limitations. A specific rover and low resolution sensor system was then considered. After studying the data obtained, a hazard detection algorithm was developed that accounts for all possible terrains given the sensor resolution. Computer simulation of the rover on various terrains was used to test the entire hazard detection system.

  18. The role of short-ranged and long-ranged hydrodynamic interactions on aggregation of colloidal particle in colloid-polymer mixtures

    NASA Astrophysics Data System (ADS)

    Boromand, Arman; Jamali, Safa; Maia, Joao

    2014-11-01

    Colloidal Gels i.e. disordered arrested systems has been studied extensively during the past decades both experimentally and computationally. Despite their widespread applications in various industries e.g. cosmetic, food, their physical principals are still far beyond being understood. The interplay between different types of interactions e.g. quantum scale, short-ranged, and long-ranged turned dynamics and thermodynamics of the colloidal systems to one the most intriguing areas in Physics. Many authors have implemented different simulation techniques such as molecular dynamics (MD) and Brownian dynamics (BD) to capture better picture during phase separation in colloidal system with short-ranged attractive force e.g. colloid-polymer mixtures. However, BD neglects multi-body hydrodynamic interactions (HI) and MD is limited considering the time and length scale of gel formation and long-time dynamics. In this presentation we used Core-modified dissipative particle dynamics (CM-DPD) with modified depletion potential, as a coarse-grain model, to address the gel formation process in short ranged-attractive colloidal systems. Due to the possibility to study short- and long-ranged HI separately in this method we studied the effect of each of those interactions on the final morphology and report on one of the controversial question in this field. In the second part of the presentation, we include colloidal-polymer interactions to extend/modify the Asakura-Oosawa potential model to semi-dilute region of polymer solution.

  19. Atomic Scale coexistence of Periodic and quasiperiodic order in a2-fold A1-Ni-Co decagonal quasicrystal surface

    SciTech Connect

    Park, Jeong Young; Ogletree, D. Frank; Salmeron, Miquel; Ribeiro,R.A.; Canfield, P.C.; Jenks, C.J.; Thiel, P.A.

    2005-11-14

    Decagonal quasicrystals are made of pairs of atomic planes with pentagonal symmetry periodically stacked along a 10-fold axis. We have investigated the atomic structure of the 2-fold surface of a decagonal Al-Ni-Co quasicrystal using scanning tunneling microscopy (STM). The surface consists of terraces separated by steps of heights 1.9, 4.7, 7.8, and 12.6{angstrom} containing rows of atoms parallel to the 10-fold direction with an internal periodicity of 4{angstrom}. The rows are arranged aperiodically, with separations that follow a Fibonacci sequence and inflation symmetry. The results indicate that the surfaces are preferentially Al-terminated and in general agreement with bulk models.

  20. Order within disorder: The atomic structure of ion-beam sputtered amorphous tantala (a-Ta₂O₅)

    DOE PAGES

    Bassiri, Riccardo; Liou, Franklin; Abernathy, Matthew R.; ...

    2015-03-01

    Amorphous tantala (a-Ta₂O₅) is a technologically important material often used in high-performance coatings. Understanding this material at the atomic level provides a way to further improve performance. This work details extended X-ray absorption fine structure measurements of a-Ta₂O₅ coatings, where high-quality experimental data and theoretical fits have allowed a detailed interpretation of the nearest-neighbor distributions. It was found that the tantalum atom is surrounded by four shells of atoms in sequence; oxygen, tantalum, oxygen, and tantalum. A discussion is also included on how these models can be interpreted within the context of published crystalline Ta₂O₅ and other a-T₂O₅ studies.

  1. Atomic polarizabilities

    SciTech Connect

    Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.

    2015-01-22

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  2. Short-range lidar measurement of top fruit tree canopies for pesticide applications research in the United Kingdom

    NASA Astrophysics Data System (ADS)

    Walklate, Peter J.; Richardson, G. M.; Baker, D. E.; Richards, P. A.; Cross, J. V.

    1997-07-01

    This paper presents the measurements of dwarf and semi-dwarf Cox apple trees with a tractor-mounted LIDAR (light detecting and ranging). An analysis is presented which derives structural parameters of the canopy for use in pesticide spraying research by considering the number flux of LIDAR scans intercepted by the crop in a known spatial segment. LIDAR measurements of the crop area normalized by the horizontal projected area of the crop are compared with measurements derived from a destructive sampling method. The distributions of local crop area density and crop interception probability are also presented. Crop area density distribution can be used to estimate the deposition distribution of spray by utilizing a suitable transport and deposition model. Alternatively, crop interception probability distribution can be used as a first order estimate of the spray deposition distribution by making an analogy between light and spray transmission.

  3. Unexpected ordering at the atomic scale interface of SrRuO3 and BaTiO3

    NASA Astrophysics Data System (ADS)

    Baddorf, Arthur P.

    2011-03-01

    Atomically engineered oxide multilayers and superlattices display unique properties responsive to the electronic and atomic structures of the interfaces. Interfaces can exhibit not only two-dimensional functionality, but have the power to dictate the properties of thin films. A clear example is found in ferroelectric thin films, where the domain size, orientation, and transport properties are controlled by top and buried interfaces. We have explored a prototypical ferroelectric - bottom electrode interface by characterizing BaTi O3 grown on SrRu O3 . Films were grown on SrTi O3 substrates by pulsed laser deposition, monitored by high-pressure reflection high-energy diffraction, exhibited high crystalline quality in electron diffraction and cross-sectional transmission electron microscopy (STEM), and were flat according to atomic force microscopy. Despite multiple indicators commonly accepted to confirm a sharp interface, atomically the structure is more complex. When grown in a typical oxygen pressure, at or below 10 mTorr, in situ scanning tunneling microscopy (STM) revealed the SrRu O3 surface is littered with oxygen vacancies. For growth or post-annealing above ~ 100 mtorr, vacancies were removed, but STM and low energy electron diffraction (LEED) disclosed a surface reconstruction consisting of parallel rows with periodicity doubled in one direction. Density function theory (DFT) suggests these rows are chains of Sr and O raised by excess oxygen. Both LEED and cross-sectional STEM revealed that this reconstruction persists at the buried interface and modifies the structure of subsequent BaTi O3 layers. By four layers, the BaTi O3 surface returns to a bulk-like structure with upward polar distortion. This study emphasizes the importance of atomic scale structural studies of what may otherwise appear as sharp interfaces. Research at ORNL's CNMS was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE.

  4. Short range micro-power impulse radar with high resolution swept range gate with damped transmit and receive cavities

    DOEpatents

    McEwan, Thomas E.

    1998-01-01

    A radar range finder and hidden object locator is based on ultra-wide band radar with a high resolution swept range gate. The device generates an equivalent time amplitude scan with atypical range of 4 inches to 20 feet, and an analog range resolution as limited by a jitter of on the order of 0.01 inches. A differential sampling receiver is employed to effectively eliminate ringing and other aberrations induced in the receiver by the near proximity of the transmit antenna, so a background subtraction is not needed, simplifying the circuitry while improving performance. Uses of the invention include a replacement of ultrasound devices for fluid level sensing, automotive radar, such as cruise control and parking assistance, hidden object location, such as stud and rebar finding. Also, this technology can be used when positioned over a highway lane to collect vehicle count and speed data for traffic control. Techniques are used to reduce clutter in the receive signal, such as decoupling the receive and transmit cavities by placing a space between them, using conductive or radiative damping elements on the cavities, and using terminating plates on the sides of the openings.

  5. Short range micro-power impulse radar with high resolution swept range gate with damped transmit and receive cavities

    DOEpatents

    McEwan, T.E.

    1998-06-30

    A radar range finder and hidden object locator is based on ultra-wide band radar with a high resolution swept range gate. The device generates an equivalent time amplitude scan with atypical range of 4 inches to 20 feet, and an analog range resolution as limited by a jitter of on the order of 0.01 inches. A differential sampling receiver is employed to effectively eliminate ringing and other aberrations induced in the receiver by the near proximity of the transmit antenna, so a background subtraction is not needed, simplifying the circuitry while improving performance. Uses of the invention include a replacement of ultrasound devices for fluid level sensing, automotive radar, such as cruise control and parking assistance, hidden object location, such as stud and rebar finding. Also, this technology can be used when positioned over a highway lane to collect vehicle count and speed data for traffic control. Techniques are used to reduce clutter in the receive signal, such as decoupling the receive and transmit cavities by placing a space between them, using conductive or radiative damping elements on the cavities, and using terminating plates on the sides of the openings. 20 figs.

  6. A reconfigurable multi-mode multi-band transmitter with integrated frequency synthesizer for short-range wireless communication

    NASA Astrophysics Data System (ADS)

    Nan, Qi; Fan, Chen; Lingwei, Zhang; Xiaoman, Wang; Baoyong, Chi

    2013-09-01

    A reconfigurable multi-mode direct-conversion transmitter (TX) with integrated frequency synthesizer (FS) is presented. The TX as well as the FS is designed with a flexible architecture and frequency plan, which helps to support all the 433/868/915 MHz ISM band signals, with the reconfigurable bandwidth from 250 kHz to 2 MHz. In order to save power and chip area, only one 1.8 GHz VCO is adopted to cover the whole frequency range. All the operation modes can be regulated in real time by configuring the integrated register-bank through an SPI interface. Implemented in 180 nm CMOS, the FS achieves a frequency coverage of 320-460 MHz and 620-920 MHz. The lowest phase noise can be -107 dBc/Hz at a 100 kHz offset and -126 dBc/Hz at a 1 MHz offset. The transmitter features a + 10.2 dBm peak output power with a +9.5 dBm 1-dB-compression point and 250 kHz/500 kHz/1 MHz/2 MHz reconfigurable signal bandwidth.

  7. Clicking in Shallow Rivers: Short-Range Echolocation of Irrawaddy and Ganges River Dolphins in a Shallow, Acoustically Complex Habitat

    PubMed Central

    Jensen, Frants H.; Rocco, Alice; Mansur, Rubaiyat M.; Smith, Brian D.; Janik, Vincent M.; Madsen, Peter T.

    2013-01-01

    Toothed whales (Cetacea, odontoceti) use biosonar to navigate their environment and to find and catch prey. All studied toothed whale species have evolved highly directional, high-amplitude ultrasonic clicks suited for long-range echolocation of prey in open water. Little is known about the biosonar signals of toothed whale species inhabiting freshwater habitats such as endangered river dolphins. To address the evolutionary pressures shaping the echolocation signal parameters of non-marine toothed whales, we investigated the biosonar source parameters of Ganges river dolphins (Platanista gangetica gangetica) and Irrawaddy dolphins (Orcaella brevirostris) within the river systems of the Sundarban mangrove forest. Both Ganges and Irrawaddy dolphins produced echolocation clicks with a high repetition rate and low source level compared to marine species. Irrawaddy dolphins, inhabiting coastal and riverine habitats, produced a mean source level of 195 dB (max 203 dB) re 1 µPapp whereas Ganges river dolphins, living exclusively upriver, produced a mean source level of 184 dB (max 191) re 1 µPapp. These source levels are 1–2 orders of magnitude lower than those of similar sized marine delphinids and may reflect an adaptation to a shallow, acoustically complex freshwater habitat with high reverberation and acoustic clutter. The centroid frequency of Ganges river dolphin clicks are an octave lower than predicted from scaling, but with an estimated beamwidth comparable to that of porpoises. The unique bony maxillary crests found in the Platanista forehead may help achieve a higher directionality than expected using clicks nearly an octave lower than similar sized odontocetes. PMID:23573197

  8. Clicking in shallow rivers: short-range echolocation of Irrawaddy and Ganges River dolphins in a shallow, acoustically complex habitat.

    PubMed

    Jensen, Frants H; Rocco, Alice; Mansur, Rubaiyat M; Smith, Brian D; Janik, Vincent M; Madsen, Peter T

    2013-01-01

    Toothed whales (Cetacea, odontoceti) use biosonar to navigate their environment and to find and catch prey. All studied toothed whale species have evolved highly directional, high-amplitude ultrasonic clicks suited for long-range echolocation of prey in open water. Little is known about the biosonar signals of toothed whale species inhabiting freshwater habitats such as endangered river dolphins. To address the evolutionary pressures shaping the echolocation signal parameters of non-marine toothed whales, we investigated the biosonar source parameters of Ganges river dolphins (Platanista gangetica gangetica) and Irrawaddy dolphins (Orcaella brevirostris) within the river systems of the Sundarban mangrove forest. Both Ganges and Irrawaddy dolphins produced echolocation clicks with a high repetition rate and low source level compared to marine species. Irrawaddy dolphins, inhabiting coastal and riverine habitats, produced a mean source level of 195 dB (max 203 dB) re 1 µPapp whereas Ganges river dolphins, living exclusively upriver, produced a mean source level of 184 dB (max 191) re 1 µPapp. These source levels are 1-2 orders of magnitude lower than those of similar sized marine delphinids and may reflect an adaptation to a shallow, acoustically complex freshwater habitat with high reverberation and acoustic clutter. The centroid frequency of Ganges river dolphin clicks are an octave lower than predicted from scaling, but with an estimated beamwidth comparable to that of porpoises. The unique bony maxillary crests found in the Platanista forehead may help achieve a higher directionality than expected using clicks nearly an octave lower than similar sized odontocetes.

  9. Examination of Short- and Long-Range Atomic Order Nanocrystalline SiC and Diamond by Powder Diffraction Methods

    NASA Technical Reports Server (NTRS)

    Palosz, B.; Grzanka, E.; Stelmakh, S.; Gierlotka, S.; Weber, H.-P.; Proffen, T.; Palosz, W.

    2002-01-01

    The real atomic structure of nanocrystals determines unique, key properties of the materials. Determination of the structure presents a challenge due to inherent limitations of standard powder diffraction techniques when applied to nanocrystals. Alternate methodology of the structural analysis of nanocrystals (several nanometers in size) based on Bragg-like scattering and called the "apparent lattice parameter" (alp) is proposed. Application of the alp methodology to examination of the core-shell model of nanocrystals will be presented. The results of application of the alp method to structural analysis of several nanopowders were complemented by those obtained by determination of the Atomic Pair Distribution Function, PDF. Based on synchrotron and neutron diffraction data measured in a large diffraction vector of up to Q = 25 Angstroms(exp -1), the surface stresses in nanocrystalline diamond and SiC were evaluated.

  10. Experimental investigations of atomic ordering effects in the epitaxial GaxIn1-xP, coherently grown on GaAs (100) substrates

    NASA Astrophysics Data System (ADS)

    Seredin, P. V.; Goloshchapov, D. L.; Khudyakov, Yu. Yu.; Lenshin, A. S.; Lukin, A. N.; Arsentyev, I. N.; Prutskij, Tatiana

    2017-03-01

    A range of structural and spectroscopic techniques were used for the study of the properties of epitaxial GaxIn1-xP alloys with an ordered arrangement of atoms in a crystal lattice grown by MOCVD on single-crystalline substrates of GaAs (100). The appearance of atomic ordering in the coherent growth conditions of the ordered GaxIn1-xP alloy on GaAs (100) resulted in cardinal changes of the structural and optical properties of semiconductor in comparison to disordered alloys, including the change of the crystal lattice parameter and, consequently, reduced crystal symmetry, decreased band gap and formation of two different types of surface nanorelief. This is the first report of the calculation of parameters of the crystal lattice in GaxIn1-xP with ordering taking into account the elastic stresses dependent on long-range ordering. Based on the variance analysis data with regard to the IR-reflection spectra as well as the UV-spectroscopy data obtained in the transmission-reflection mode, the main optical characteristics of the ordered GaxIn1-xP alloys were determined for the first time, namely, refractive index dispersion and high-frequency dielectric constant. All of the experimental results were in good agreement with the previously developed theoretical beliefs.

  11. Predicting the size- and shape-dependent cohesive energy and order-disorder transition temperature of Co-Pt nanoparticles by embedded-atom-method potential.

    PubMed

    Liu, Chenze; Qi, Weihong; Ouyang, Bin; Wang, Xing; Huang, Baiyun

    2013-02-01

    The cohesive energy (CE) of CoPt nanoparticles (NPs) with different sizes and shapes have been calculated by embedded-atom-method (EAM) potential. It is shown that CE of NPs with order or disorder structures decreases with the decrease of particle size, while the shape effects become obvious only at small size. The CE difference per atom between order and disorder structures decreases with the decrease of particle size, indicating that the possibility of order-disorder transition in small size becomes larger compared with these in large size. Significantly, the CE difference varies in proportion to order-disorder transition temperature (T(c)), which suggests that one can predict order-disorder transition of NPs by calculation the cohesive energy. The present calculated T(c) of CoPt NPs is consistent with recent experiments, simulation and theoretical predictions, and the method can also be applied to study the order-disorder transition of FePt, FePd, and so on.

  12. Electron correlation in extended systems: Fourth-order many-body perturbation theory and density-functional methods applied to an infinite chain of hydrogen atoms

    NASA Astrophysics Data System (ADS)

    Suhai, Sándor

    1994-11-01

    Linear equidistant and bond-alternating infinite chains of hydrogen atoms have been investigated by the ab initio crystal-orbital method at the Hartree-Fock (HF) level, by including electron correlation up to the complete fourth order of the Mo/ller-Plesset perturbation theory (MP4-PT), and by using different versions of density-functional theory (DFT). The Bloch functions have been expanded in all cases in a series of high-quality atomic-orbital basis sets and complemented by extended sets of polarization functions up to 6s3p2d1f per H atom. In order to compare the performance of the PT and DFT methods, several physical properties have been computed at all theoretical levels including lattice geometry, cohesive energy, mechanisms of bond alternation (Peierls instability), and energetic features of nonequilibrium configurations (dissociation). For these latter quantities, both spin-restricted (RHF) and unrestricted (UHF) wave functions have been employed in all orders of PT. The methods described have been used parallel to infinite chains and to the H2 molecule, to be able to check their accuracy on experiments. In the case of the DFT, six different functionals (combining Slater and Becke exchange with local and gradient-corrected correlation potentials) have been utilized to test their accuracy in comparison with the MP4 results.

  13. Magnetic exchange force microscopy with atomic resolution.

    PubMed

    Kaiser, Uwe; Schwarz, Alexander; Wiesendanger, Roland

    2007-03-29

    The ordering of neighbouring atomic magnetic moments (spins) leads to important collective phenomena such as ferromagnetism and antiferromagnetism. A full understanding of magnetism on the nanometre scale therefore calls for information on the arrangement of spins in real space and with atomic resolution. Spin-polarized scanning tunnelling microscopy accomplishes this but can probe only conducting materials. Force microscopy can be used on any sample independent of its conductivity. In particular, magnetic force microscopy is well suited to exploring ferromagnetic domain structures. However, atomic resolution cannot be achieved because data acquisition involves the sensing of long-range magnetostatic forces between tip and sample. Magnetic exchange force microscopy has been proposed for overcoming this limitation: by using an atomic force microscope with a magnetic tip, it should be possible to detect the short-range magnetic exchange force between tip and sample spins. Here we show for a prototypical antiferromagnetic insulator, the (001) surface of nickel oxide, that magnetic exchange force microscopy can indeed reveal the arrangement of both surface atoms and their spins simultaneously. In contrast with previous attempts to implement this method, we use an external magnetic field to align the magnetic polarization at the tip apex so as to optimize the interaction between tip and sample spins. This allows us to observe the direct magnetic exchange coupling between the spins of the tip atom and sample atom that are closest to each other, and thereby demonstrate the potential of magnetic exchange force microscopy for investigations of inter-spin interactions at the atomic level.

  14. Limitations of short range Mexican hat connection for driving target selection in a 2D neural field: activity suppression and deviation from input stimuli

    PubMed Central

    Mégardon, Geoffrey; Tandonnet, Christophe; Sumner, Petroc; Guillaume, Alain

    2015-01-01

    Dynamic Neural Field models (DNF) often use a kernel of connection with short range excitation and long range inhibition. This organization has been suggested as a model for brain structures or for artificial systems involved in winner-take-all processes such as saliency localization, perceptual decision or target/action selection. A good example of such a DNF is the superior colliculus (SC), a key structure for eye movements. Recent results suggest that the superficial layers of the SC (SCs) exhibit relatively short range inhibition with a longer time constant than excitation. The aim of the present study was to further examine the properties of a DNF with such an inhibition pattern in the context of target selection. First we tested the effects of stimulus size and shape on when and where self-maintained clusters of firing neurons appeared, using three variants of the model. In each model variant, small stimuli led to rapid formation of a spiking cluster, a range of medium sizes led to the suppression of any activity on the network and hence to no target selection, while larger sizes led to delayed selection of multiple loci. Second, we tested the model with two stimuli separated by a varying distance. Again single, none, or multiple spiking clusters could occur, depending on distance and relative stimulus strength. For short distances, activity attracted toward the strongest stimulus, reminiscent of well-known behavioral data for saccadic eye movements, while for larger distances repulsion away from the second stimulus occurred. All these properties predicted by the model suggest that the SCs, or any other neural structure thought to implement a short range MH, is an imperfect winner-take-all system. Although, those properties call for systematic testing, the discussion gathers neurophysiological and behavioral data suggesting that such properties are indeed present in target selection for saccadic eye movements. PMID:26539103

  15. Restoring the lattice of Si-based atom probe reconstructions for enhanced information on dopant positioning.

    PubMed

    Breen, Andrew J; Moody, Michael P; Ceguerra, Anna V; Gault, Baptiste; Araullo-Peters, Vicente J; Ringer, Simon P

    2015-12-01

    The following manuscript presents a novel approach for creating lattice based models of Sb-doped Si directly from atom probe reconstructions for the purposes of improving information on dopant positioning and directly informing quantum mechanics based materials modeling approaches. Sophisticated crystallographic analysis techniques are used to detect latent crystal structure within the atom probe reconstructions with unprecedented accuracy. A distortion correction algorithm is then developed to precisely calibrate the detected crystal structure to the theoretically known diamond cubic lattice. The reconstructed atoms are then positioned on their most likely lattice positions. Simulations are then used to determine the accuracy of such an approach and show that improvements to short-range order measurements are possible for noise levels and detector efficiencies comparable with experimentally collected atom probe data.

  16. Short-range verification experiment of a trial one-dimensional synthetic aperture infrared laser radar operated in the 10-microm band.

    PubMed

    Yoshikado, S; Aruga, T

    2000-03-20

    A trial one-dimensional (1-D) synthetic aperture infrared laser radar (SAILR) system for imaging static objects, with two CO(2) lasers as a transmitter and a local oscillator for heterodyne detection, was constructed. It has a single receiving aperture mounted on a linearly movable stage with a length of 1 m and a position accuracy of 1 microm. In an indoor short-range experiment to confirm the fundamental functions of the system and demonstrate its unique imaging process we succeeded in obtaining 1-D synthetic aperture images of close specular point targets with theoretically expected resolution.

  17. Detection of Short-Range DNA Interactions in Mammalian Cells Using High-Resolution Circular Chromosome Conformation Capture Coupled to Deep Sequencing.

    PubMed

    Millau, Jean-François; Gaudreau, Luc

    2015-01-01

    DNA interactions shape the genome to physically and functionally connect regulatory elements to their target genes. Studying these interactions is crucial to understanding the molecular mechanisms that regulate gene expression. In this chapter, we present a protocol for high-resolution circular chromosome conformation capture coupled to deep sequencing. This methodology allows to investigate short-range DNA interactions (<100 kbp) and to obtain high-resolution DNA interaction maps of loci. It is a powerful tool to explore how regulatory elements and genes are connected together.

  18. On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f0 actinide species

    NASA Astrophysics Data System (ADS)

    Fromager, Emmanuel; Réal, Florent; Wâhlin, Pernilla; Wahlgren, Ulf; Jensen, Hans Jørgen Aa.

    2009-08-01

    In a previous paper [Fromager et al., J. Chem. Phys. 126, 074111 (2007)], some of the authors proposed a recipe for choosing the optimal value of the μ parameter that controls the long-range/short-range separation of the two-electron interaction in hybrid multiconfigurational self-consistent field short-range density-functional theory (MC-srDFT) methods. For general modeling with MC-srDFT methods, it is clearly desirable that the same universal value of μ can be used for any molecule. Their calculations on neutral light element compounds all yielded μopt=0.4 a.u. In this work the authors investigate the universality of this value by considering "extreme" study cases, namely, neutral and charged isoelectronic f0 actinide compounds (ThO2, PaO2+, UO22+, UN2, CUO, and NpO23+). We find for these compounds that μopt=0.3 a.u. but show that 0.4 a.u. is still acceptable. This is a promising result in the investigation of a universal range separation. The accuracy of the currently best MC-srDFT (μ =0.3 a.u.) approach has also been tested for equilibrium geometries. Though it performs as well as wave function theory and DFT for static-correlation-free systems, it fails in describing the neptunyl (VII) ion NpO23+ where static correlation is significant; bending is preferred at the MC-srDFT (μ =0.3 a.u.) level, whereas the molecule is known to be linear. This clearly shows the need for better short-range functionals, especially for the description of the short-range exchange. It also suggests that the bending tendencies observed in DFT for NpO23+ cannot be fully explained by the bad description of static correlation effects by standard functionals. A better description of the exchange seems to be essential too.

  19. Short-range +/-J interaction Ising spin glass in a transverse field on a Bethe lattice: a quantum-spherical approach

    NASA Astrophysics Data System (ADS)

    Kope, T. K.; Usadel, K. D.

    2006-02-01

    We consider the short-range interaction disordered quantum Ising model with symmetric binary +/-J bond distribution on the Bethe lattice (with coordination number z). The system exhibits quantum phase transition separating the spin glass and disordered phases where the quantum effect are regulated by a param- eter describing the transverse field. By introducing a mapping of the quantum Hamiltonian of the model onto a soft-spin action we consider it truncated version in a form of the solvable quantized spherical model. Quantum dynamics is examined via various correlation functions on the infinite tree which are evaluated in a closed form.

  20. Effective field theory for cold atoms

    SciTech Connect

    Hammer, H.-W.

    2005-05-06

    Effective Field Theory (EFT) provides a powerful framework that exploits a separation of scales in physical systems to perform systematically improvable, model-independent calculations. Particularly interesting are few-body systems with short-range interactions and large two-body scattering length. Such systems display remarkable universal features. In systems with more than two particles, a three-body force with limit cycle behavior is required for consistent renormalization already at leading order. We will review this EFT and some of its applications in the physics of cold atoms. Recent extensions of this approach to the four-body system and N-boson droplets in two spatial dimensions will also be discussed.