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Sample records for atomic short-range order

  1. Charge-correlation effects in calculations of atomic short-range order in metallic alloys

    NASA Astrophysics Data System (ADS)

    Pinski, F. J.; Staunton, J. B.; Johnson, D. D.

    1998-06-01

    The ``local'' chemical environment that surrounds an atom directly influences its electronic charge density. These atomic charge correlations play an important role in describing the Coulomb and total energies for random substitutional alloys. Although the electronic structure may be well represented by a single-site theory, such as the coherent potential approximation, the electrostatic energy is not as well represented when these charge correlations are ignored. For metals, including the average effect from the charge correlation coming from only the nearest-neighbor shell has been shown to be sufficient to determine accurately the energy of formation. In this paper, we incorporate such charge correlations into the concentration-wave approach for calculating the atomic short-range order in random (substitutional) alloys. We present changes within the formalism, and apply the resulting equations to equiatomic nickel platinum. By including these effects, we obtain significantly better agreement with experimental data. In fact, particular to NiPt, a consequence of the charge correlation is a screening which cancels much of the electrostatic contribution to the energy and thus to the atomic short-range order, resulting in agreement with a picture originally outlined using only ``band-energy'' contributions.

  2. Atomic short-range order and incipient long-range order in high-entropy alloys

    NASA Astrophysics Data System (ADS)

    Singh, Prashant; Smirnov, A. V.; Johnson, D. D.

    2015-06-01

    Within density-functional theory, we apply an electronic-structure-based thermodynamic theory to calculate short-ranged order (SRO) in homogeneously disordered substitutional N -component alloys, and its electronic origin. Using the geometric properties of an (N -1 ) simplex that describes the Gibbs (compositional) space, we derive the analytic transform of the SRO eigenvectors that provides a unique description of high-temperature SRO in N -component alloys and the incipient low-temperature long-range order. We apply the electronic-based thermodynamic theory and the new general analysis to ternaries (A 1 Cu-Ni-Zn and A 2 Nb-Al-Ti) for validation, and then to quinary Al-Co-Cr-Fe-Ni high-entropy alloys for predictive assessment.

  3. 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.

  4. 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

  5. Neutron scattering studies of short-range order and atomic displacements in a null-matrix nickel-62 platinum crystal

    NASA Astrophysics Data System (ADS)

    Rodriguez, Jose Abelardo

    The best known exception to the Heine-Samson and Bieber-Gautier arguments for ordering effects in transition metal alloys (similar to the Hume-Rothery rules) is a NiPt alloy, where the phase diagram is similar to the CuAu system. Using the Disk Chopper Spectrometer (DCS) at NIST, we have investigated a Null-Matrix Crystal 62 Ni0.52Pt0.48, (62 Ni has a negative scattering length, nearly equal in magnitude to Pt). Its composition has therefore been chosen whereby all effects depending on the average lattice scattering vanish. The only remaining contributions to the diffuse scattering are the Short Range Order (SRO) and Size Effect (SE) terms, to be discussed within. Such 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 obtained the Effective Pair Interactions (EPI) between the several neighbors in the alloy. The results can be used to model the alloy in the context of electronic theory of alloy phase stability, including an evaluation of the potentially important aspect of charge transfer and ionicity.

  6. Short range atomic migration in amorphous silicon

    NASA Astrophysics Data System (ADS)

    Strauß, F.; Jerliu, B.; Geue, T.; Stahn, J.; Schmidt, H.

    2016-05-01

    Experiments on self-diffusion in amorphous silicon between 400 and 500 °C are presented, which were carried out by neutron reflectometry in combination with 29Si/natSi isotope multilayers. Short range diffusion is detected on a length scale of about 2 nm, while long range diffusion is absent. Diffusivities are in the order of 10-19-10-20 m2/s and decrease with increasing annealing time, reaching an undetectable low value for long annealing times. This behavior is strongly correlated to structural relaxation and can be explained as a result of point defect annihilation. Diffusivities for short annealing times of 60 s follow the Arrhenius law with an activation enthalpy of (0.74 ± 0.21) eV, which is interpreted as the activation enthalpy of Si migration.

  7. Short-Range Order in Ferroelectric Triglycine Sulphate

    NASA Astrophysics Data System (ADS)

    Hudspeth, J. M.

    The short-range order in triglycine sulphate (TGS) was investigated using x-ray and neutron diffraction techniques. Complete deuteration of TGS was required for the neutron diffraction experiments and a new method was developed to grow single crystals of fully deuterated TGS by vapour diffusion crystallisation. The long-range structure of fully deuterated TGS was refined at several temperatures from single crystal neutron diffraction data and found to be consistent with the published structure of hydrogenous TGS. The phase transition temperature was found to increase from about 322 K to about 334 K with complete deuteration. The evolution of the long-range structure with temperature was investigated using x-ray and neutron powder diffraction. All of the lattice parameters had a single cusp at the phase transition, except for the b lattice parameter, which also had a second cusp about 34 K below TC. In contrast to the lattice parameter behaviour, the unit cell volume was found to increase monotonically with temperature. The length of the hydrogen bonds between the disordered N atom on glycine 1 (G1) and the surrounding molecules was found to increase with temperature, whereas the length of the short hydrogen bond between G2 and G3 decreased slightly with temperature. This supports the suggestion that weakening of the hydrogen bonds decouples G1 from G2 and G3, allowing the system to become disordered. Except around the ferroelectric to paraelectric phase transition temperature, no abnormalities in the behaviour of any of the refined parameters were observed, suggesting that TGS only has a single phase transition. The short-range order in TGS was investigated by collecting single crystal x-ray and neutron diffuse scattering at several temperatures from well below to well above TC. Well below TC, the diffuse scattering was purely thermal diffuse scattering due to correlations of the atomic displacements. Close to the phase transition, diffuse streaks perpendicular to

  8. 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.

  9. a Study of Short-Range Order in Disordered Alloys

    NASA Astrophysics Data System (ADS)

    Clark, John

    In this thesis, I present a study of the short -range order in disordered binary metallic alloys. The objective is to determine the electronic origins of the particular ordering mechanism of each alloy studied. I analyze my calculations of the linear response to spatial variations, in terms of the disordered alloys' electronic structure, which can indicate a specific ordering mechanism of the system. Therefore, calculations of the short-range order parameters in the disordered state, which are related to the correlation functions, can reflect the alloys' propensity to order into a specific crystal structure. The ab initio calculations, based on a concentration wave approach, is formulated in terms of the electronic grand potential of the random alloy. A mean-field, density functional description, incorporated into multiple scattering theory (the Korringa -Kohn-Rostoker Coherent-Potential-Approximation), is employed to describe the derivatives of the electronic grand potential necessary to define the correlation functions. The disordered alloys studied were CuPt, CuPd, CuNi, NiPt, CuAu and Cu_3Au. All of these alloys are face-centered-cubic in the disordered state. Calculations of the response function of disordered CuPt are reported. The unique Ll_1 ordering mechanism of this binary alloy was traced to a novel Fermi-surface nesting feature in its electronic structure. Similar calculations of disordered CuAu confirm experimental evidence of the Ll_0 ordering mechanism involved in CuAu. Results are also presented on calculations of Cu_3Au, CuPd, CuNi, and NiPt that illustrate the different experimentally seen ordering and clustering phenomena.

  10. Short-range order in iron alloys studied by 57Fe Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Idczak, R.; Konieczny, R.; Chojcan, J.

    2013-04-01

    The room temperature Mössbauer spectra of 57Fe were measured for dilute iron-based solid solutions FeD (D=Co, Cr, Mn, Mo, Ni, Pt, Re, Ti). Analysis of the obtained spectra gave clear evidence that the distribution of impurity atoms in the two first coordination shells of 57Fe nuclei is not homogenous and it cannot be described in terms of binomial distribution. Quantitatively, the effects were described in terms of the short-range order parameters.

  11. Short-range order and near-field effects on optical scattering and structural coloration

    SciTech Connect

    Liew, S.F.; Forster, J.; Noh, H.; Schreck, C.F.; Saranathan, V.; Lu, X.; Yang, L.; Prum, Richard O.; O’Hern, C.S.; Dufresne, E.R.; Cao, H.

    2012-03-26

    We have investigated wavelength-dependent light scattering in biomimetic structures with short-range order. Coherent backscattering experiments are performed to measure the transport mean free path over a wide wavelength range. Overall scattering strength is reduced significantly due to short-range order and near-field effects. Our analysis explains why single scattering of light is dominant over multiple scattering in similar biological structures and is responsible for color generation.

  12. Short-range Order and Near-field Effects on Optical Scattering and Structural Coloration

    SciTech Connect

    S Liew; J Forster; H Noh; C Schreck; V Saranathan; X Lu; L Yang; E Dufresne; H Cao; et al.

    2011-12-31

    We have investigated wavelength-dependent light scattering in biomimetic structures with short-range order. Coherent backscattering experiments are performed to measure the transport mean free path over a wide wavelength range. Overall scattering strength is reduced significantly due to short-range order and near-field effects. Our analysis explains why single scattering of light is dominant over multiple scattering in similar biological structures and is responsible for color generation.

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

    DOE PAGESBeta

    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 ofmore » Fe but also the short-range antiferromagnetic order of Dy.« less

  14. 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.

  15. High Resolution Imaging by Atomic Force Microscopy: Contribution of short-range force to the imaging

    NASA Astrophysics Data System (ADS)

    Eguchi, Toyoaki; Kotone, Akiyama; Masanori, Ono; Toshio, Sakurai; Yukio, Hasegawa

    2003-03-01

    Recent developments in force detection technique have made us possible to obtain atomically resolved images of the Si(111)-(7x7) surface by AFM. Compared with STM, however, its spatial resolution remains limited. In this presentation, we demonstrate that with careful pretreatment and appropriate experimental parameters, the structure of the rest-atom layer can be imaged using AFM by detecting the short-range force due to the single chemical bonding. The detection of the short-range force is verified by analysis of the frequency-shift versus distance curve (force curve). This unprecedented high resolution is achieved by reducing background forces due to the long-range interactions with small oscillation amplitude of the cantilever and an atomically sharp tip. The high temperature annealing of the cantilever assists in obtaining a bare silicon tip on the cantilever without unwanted tip-blunting, and improving the Q-factor of the cantilever. This study implies that characterization of the AFM tip in nanometer scale, not only on the apex atoms but also its shape near the apex, is important and critical for AFM high resolution imaging.

  16. 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.

  17. Nuclear-Spin-Independent Short-Range Three-Body Physics in Ultracold Atoms

    SciTech Connect

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

    2010-09-03

    We investigate three-body recombination loss across a Feshbach resonance in a gas of ultracold {sup 7}Li atoms prepared in the absolute ground state and perform a comparison with previously reported results of a different nuclear-spin state [N. Gross et al., 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.

  18. Majorana modes in single channel cold atomic gases with short-ranged attractive interactions

    NASA Astrophysics Data System (ADS)

    Sau, Jay; Li, Xiaopeng

    2015-03-01

    Majorana modes have been predicted to exist in topological superfluids that generated by a combination of spin-orbit coupling and short-ranged attractive interactions. One dimensional superfluids with intrinsic interactions, however, present a precarious competition between phase fluctuations and topological superfluidity. Previously, it has been argued that the Majorana nature survives with some modification in multi-channel and proximity-induced superfluidity in systems of ultra-cold atoms. This discussion is more subtle in the single channel case because the universal properties of one dimensional fermions with attractive interactions are known to be described by a simple Luttinger liquid in the low-energy limit. In this talk, we will discuss the properties of Galilean invariant one dimensional fermi gases with attractive interactions and show how they display properties consistent with both being a topological (or non-topological) superfluid and a Luttinger liquid. Condensed Matter Theory Center and Joint Quantum Institute at the University of Maryland.

  19. Effect of smectic short-range order on the discontinuous anchoring transition in nematic liquid crystals

    NASA Astrophysics Data System (ADS)

    Sai, D. Venkata; Kumar, T. Arun; Haase, W.; Roy, Arun; Dhara, Surajit

    2014-07-01

    We report studies on the temperature dependent alignment behavior of a homologous series of trans, trans- 4, 4'-dialkyl-(1α,1' α-bicyclohexyl)-4β-carbonitrile (CCNs) on a perfluoropolymer coated cells. Among six compounds in the series, one (CCN-35) has only nematic phase and the remaining five have either smectic-A or smectic-B in addition to the nematic phase. We simultaneously performed temperature dependent dielectric measurements and optical polarising microscope observation. It is found that except for CCN-35 and CCN-73, the remaining four compounds exhibit discontinuous anchoring transition from planar to homeotropic and vice versa with increasing thermal hysteresis. We developed a simple theory taking into account the effect of smectic short-range order at the substrates to explain the experimental observations.

  20. Effect of smectic short-range order on the discontinuous anchoring transition in nematic liquid crystals.

    PubMed

    Sai, D Venkata; Kumar, T Arun; Haase, W; Roy, Arun; Dhara, Surajit

    2014-07-28

    We report studies on the temperature dependent alignment behavior of a homologous series of trans, trans- 4, 4'-dialkyl-(1α,1' α-bicyclohexyl)-4β-carbonitrile (CCNs) on a perfluoropolymer coated cells. Among six compounds in the series, one (CCN-35) has only nematic phase and the remaining five have either smectic-A or smectic-B in addition to the nematic phase. We simultaneously performed temperature dependent dielectric measurements and optical polarising microscope observation. It is found that except for CCN-35 and CCN-73, the remaining four compounds exhibit discontinuous anchoring transition from planar to homeotropic and vice versa with increasing thermal hysteresis. We developed a simple theory taking into account the effect of smectic short-range order at the substrates to explain the experimental observations. PMID:25084936

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

    DOE PAGESBeta

    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.

  2. 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

  3. Directional short range order in L10 FeMnPt magnetic thin films

    NASA Astrophysics Data System (ADS)

    Sun, Cheng-Jun; Xu, Dongbin; Heald, Steve M.; Chen, Jingsheng; Chow, Gan-Moog

    2011-10-01

    A method for investigating the directional short range order (DSRO) of an element of interest in L10 FeMnPt thin films using polarization-dependent x-ray absorption near edge structure (XANES) spectroscopy is described. The XANES calculations for both L10 FePt and L10 MnPt phases indicate that the height of the low-energy shoulder of the polarization-dependent XANES is proportional to the degree of DSRO of the element of interest in the case of L10 FePt and MnPt systems. The experimentally observed DSROs of Fe and Mn in L10 FeMnPt magnetic thin films are consistent with a decrease of ordering parameter with increasing Mn doping. We demonstrate theoretically and experimentally that the heights of the low-energy shoulder in the FeK- and MnK-edge polarization-dependent XANES are proportional to the DSROs of Fe and Mn, respectively.

  4. Recent studies of short-range order in alloys: The Cowley theory revisited

    SciTech Connect

    Reinhard, L.; Moss, S.C.

    1993-02-08

    We present comparisons of various statistical theories for effective pair interactions (EPI) in alloys. We then evaluate these EPI`s using the Cowley theory, the Krivoglaz-Clapp-Moss (KCM) approximation, the {gamma}-expansion method (GEM) of Tokar, Masanskii and coworkers, and the exact inverse Monte Carlo (IMC) method, introduced by Gerold and Kern. Via a series of model calculations on a hypothetical bcc alloy with a single nearest-neighbor interaction we show that the Cowley theory is successful in evaluating the EPI`s in more dilute alloys but tends to overestimate the magnitude of the nearest neighbor energy at higher concentrations, whereas the KCM expression becomes increasingly inaccurate at lower concentrations. In general, however, the approximate mean field theories are most accurate at higher concentrations and higher temperatures. Recent studies of short-range order in single crystals are discussed in which these EPI`s have been evaluated using the IMC, KCM, GEM and Cowley theories. Examples include the bcc alloy Fe{sub 0.53}Cr{sub 0.47} and the fcc alloys Cu{sub 3} Au, CU{sub 0.69}Zn{sub 0.31} and Ni{sub 0.89}BgCr{sub 0.11}. In all cases the approximate expressions do quite well, especially the GEM.

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

    PubMed

    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

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

    NASA Astrophysics Data System (ADS)

    Li, Congling; Wei, Yujie; Shi, Xinghua

    2015-07-01

    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.

  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. 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.

  9. Thermal evolution of short-range order in Cu-Hf-based amorphous alloys

    NASA Astrophysics Data System (ADS)

    Damonte, L. C.; Pasquevich, A. F.; Mendoza-Zélis, L.

    2010-04-01

    A Perturbed Angular Correlation study on melt-spun Cu60Hf20Ti20 and Cu60Hf40 is presented. The influence of Ti addition on thermal stability and crystallization mechanism is followed by differential scanning calorimetry. The evolution of quadrupole parameters with measurement temperature is analyzed in both alloys in order to get insight into the crystallization process. Although an intricate crystallization mechanism is observed for the Ti containing alloy, the final stage is similar, irrespective of minority atom.

  10. Chemical short range order and magnetic correction in liquid manganese-gallium zero alloy

    NASA Astrophysics Data System (ADS)

    Grosdidier, B.; Ben Abdellah, A.; Osman, S. M.; Ataati, J.; Gasser, J. G.

    2015-12-01

    The Mn66Ga34 alloy at this particular composition is known to be zero alloy in which the linear combination of the two neutron scattering lengths weighted by the atomic compositions vanish. Thus for this specific concentration, the effect of the partial structure factors SNN and SNC is cancelled by a weighted term, which value is zero. Then the measured total structure factor S(q) gives directly the concentration-concentration structure factor SCC(q). We present here the first experimental results of neutron diffraction on the Mn66Ga34 "null matrix alloy" at 1050 °C. The main peak of the experimental SCC(q) gives a strong evidence of a hetero-atomic chemical order in this coordinated alloy. This order also appears in real space radial distribution function which is calculated by the Fourier transform of the structure factor. The degree of hetero-coordination is discussed together with other manganese-polyvalent alloys. However manganese also shows abnormal magnetic scattering in the alloy structure factor which must be corrected. This correction gives an experimental information on the mean effective spin of manganese in this liquid alloy. We present the first critical theoretical calculations of the magnetic correction factor in Mn-Ga zero-alloy based on our accurate experimental measurements of SCC(q).

  11. Icosahedral short-range order in amorphous Cu80Si20 by ab initio molecular dynamics simulation study

    SciTech Connect

    Wu, S.; Kramer, Matthew J.; Fang, Xiaowei; Wang, Shy-Guey; Wang, Cai-Zhuang; Ho, Kai-Ming; Ding, Z.J.; Chen, L.Y.

    2012-04-26

    Short-range order in liquid and amorphous structures of Cu80Si20 is studied by ab initio molecular dynamics simulations. We performed the simulations at 1140 and 300 K respectively to investigate the local structure change from liquid to amorphous. The result of structure factor in comparison with experimental data indicates that our simulation of amorphous Cu80Si20 is reliable. By using the bond-angle distribution function, Honeycutt–Andersen index, Voronoi tessellation method, and the atomistic cluster alignment method, the icosahedral short-range order in the system is revealed. Strong Cu–Si interaction was also observed.

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

    PubMed

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

    2016-07-29

    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. PMID:27517772

  14. 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

  15. 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.

  16. 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.

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

    PubMed

    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. PMID:27269809

  18. 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.

  19. Short-Range Order of Mesomorphic Phase of a Semi-crystalline Polymer by Solid-State NMR: Isotactic Polypropylene

    NASA Astrophysics Data System (ADS)

    Yuan, Shichen; Miyoshi, Toshikazu

    2015-03-01

    Mesophase is intermediate phase between crystalline and melt state. Characterization of short-range structures of disordered mesomorphic phase without long-range order is challenging issue in polymer characterization. The short range order was considered same as α or β i PP, or neither. In this work, a new strategy using 13C-13C through space interactions as well as molecular dynamics based on chemical shift anisotropy (CSA) re-orientation is proposed for evaluating short-range order of mesophase of isotactic-polypropylene (iPP). 13C-13C double quantum (DQ) build up curves of 13C 15 percent CH3 selectively labeled iPP and spin dynamics simulations elucidate that local packing structures in mesophase is very close to that in β phase. Moreover, exchange NMR proves that the crystalline chains perform large amplitude motions in all α, β, and mesophase. The correlation time of overall dynamics of stems in mesophase follows the same Arrhenius line with that of β phase but is largely deviated from the Arrhenius line of the α phase. Through the obtained results, it is concluded that short-range order in mesophase is exceedingly close or same to those in β phase. This work was financially supported by the National Science Foundation (Grant No. DMR-1105829) and by UA startup funds.

  20. The impact of short-range forces on high-energy atom collisions in displacement cascades

    NASA Astrophysics Data System (ADS)

    Samolyuk, German; Stoller, Roger; Tamm, Artur; Beland, Laurent; Stocks, G. Malcolm; Caro, Alfredo; Slipchenko4, Lyudmila; Osetskiy, Yury; Aabloo, Alvo; Klintenberg, Mattias; Wang, Yang

    Simulation of primary radiation damage formation in solid materials involves collisions between atoms with a few hundred keV of kinetic energy. As a result, during these collisions, the distance between two colliding atoms can approach 0.05 nm. For such small atomic separations, interatomic potentials significantly underestimate the potential energy. The common practice involves using a screened Coulomb pair potential to describe the high-energy interactions and to smoothly join this to the equilibrium potential. However, there is no standard method for choosing the joining parameters and defect production during cascade evolution has been shown to be sensitive to how the joining is done. We developed a new procedure, which includes the use of ab initio, calculations to determine the pair interactions at intermediate distances, together with systematic criteria for choosing the joining parameters. Results are presented for the case of nickel. Research at the Oak Ridge National Laboratory and Los Alamos National Laboratory sponsored by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, ``Center for Energy Dissipation to Defect Evolution''.

  1. Short-range order of compressed amorphous GeSe2.

    PubMed

    Properzi, L; Di Cicco, A; Nataf, L; Baudelet, F; Irifune, T

    2015-01-01

    The structure of amorphous GeSe2 (a-GeSe2) has been studied by means of a combination of two-edges X-ray absorption spectroscopy (XAS) and angle-dispersive X-ray diffraction under pressures up to about 30 GPa. Multiple-edge XAS data-analysis of a-GeSe2 at ambient conditions allowed us to reconstruct and compare the first-neighbor distribution function with previous results obtained by neutron diffraction with isotopic substitution. GeSe2 is found to remain amorphous up to the highest pressures attained, and a reversible 1.5 eV red-shift of the Ge K-edge energy indicating metallization, occurs between 10 GPa and 15 GPa. Two compression stages are identified by XAS structure refinement. First, a decrease of the first-neighbor distances up to about 10 GPa, in the same pressure region of a previously observed breakdown of the intermediate-range order. Second, an increase of the Ge-Se distances, bond disorder, and of the coordination number. This stage is related to a reversible non-isostructural transition involving a gradual conversion from tetra- to octa-hedral geometry which is not yet fully completed at 30 GPa. PMID:25973778

  2. Short-range order of compressed amorphous GeSe2

    PubMed Central

    Properzi, L.; Di Cicco, A.; Nataf, L.; Baudelet, F.; Irifune, T.

    2015-01-01

    The structure of amorphous GeSe2 (a-GeSe2) has been studied by means of a combination of two-edges X-ray absorption spectroscopy (XAS) and angle-dispersive X-ray diffraction under pressures up to about 30 GPa. Multiple-edge XAS data-analysis of a-GeSe2 at ambient conditions allowed us to reconstruct and compare the first-neighbor distribution function with previous results obtained by neutron diffraction with isotopic substitution. GeSe2 is found to remain amorphous up to the highest pressures attained, and a reversible 1.5 eV red-shift of the Ge K-edge energy indicating metallization, occurs between 10 GPa and 15 GPa. Two compression stages are identified by XAS structure refinement. First, a decrease of the first-neighbor distances up to about 10 GPa, in the same pressure region of a previously observed breakdown of the intermediate-range order. Second, an increase of the Ge-Se distances, bond disorder, and of the coordination number. This stage is related to a reversible non-isostructural transition involving a gradual conversion from tetra- to octa-hedral geometry which is not yet fully completed at 30 GPa. PMID:25973778

  3. 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.

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

    PubMed

    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]Zn(1~6) 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 1(st)-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

  5. 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

  6. Enhanced refractive index sensitivity of elevated short-range ordered nanohole arrays in optically thin plasmonic Au films.

    PubMed

    Bochenkov, Vladimir E; Frederiksen, Maj; Sutherland, Duncan S

    2013-06-17

    A simple development of the colloidal lithography technique is demonstrated for fabrication of perforated plasmonic metal films elevated above the substrate surface. The bulk refractive index sensitivity of short-range ordered nanohole arrays in 20 nm thick Au films exhibits an increase of up to 37% due to reduction of substrate effect caused by lifting with a 40 nm silica layer. Analysis of the local electric field distribution suggests that the sensitivity increase is due to revealing of the enhanced field near the holes. PMID:23787663

  7. Static and dynamic X Y -like short-range order in a frustrated magnet with exchange disorder

    NASA Astrophysics Data System (ADS)

    Ross, K. A.; Krizan, J. W.; Rodriguez-Rivera, J. A.; Cava, R. J.; Broholm, C. L.

    2016-01-01

    A single crystal of the Co2 +-based pyrochlore NaCaCo2F7 was studied by inelastic neutron scattering. This frustrated magnet with quenched exchange disorder remains in a strongly correlated paramagnetic state down to 1/60th of the Curie-Weiss temperature. Below Tf=2.4 K, diffuse elastic scattering develops and comprises 30 ±10 % of the total magnetic scattering, as expected for Jeff=1 /2 moments frozen on a time scale that exceeds ℏ /δ E =3.8 ps. The diffuse scattering is consistent with short range X Y antiferromagnetism with a correlation length of 16 Å. The momentum (Q ) dependence of the inelastic intensity indicates relaxing X Y -like antiferromagnetic clusters at energies below ˜5.5 meV, and collinear antiferromagnetic fluctuations above this energy. The relevant X Y configurations form a continuous manifold of symmetry-related states. Contrary to well-known models that produce this continuous manifold, order-by-disorder does not select an ordered state in NaCaCo2F7 despite evidence for weak (˜12 % ) exchange disorder. Instead, NaCaCo2F7 freezes into short range ordered clusters that span this manifold.

  8. {sup 29}Si MAS-NMR study of the short-range order in potassium borosilicate glasses

    SciTech Connect

    Martin, S.W.; Bhatnagar, A.; Parameswar, C.; Feller, S.; MacKenzie, J.

    1995-04-01

    Potassium borosilicate glasses were prepared in families having the general formula of RK{sub 2}O{center_dot}B{sub 2}O{sub 3}{center_dot}NSiO{sub 2}, where R is the ratio of potassium oxide to boron oxide and N is the ratio of silicon dioxide to boron oxide. The glasses were prepared for values of R ranging from 0 to 7.0 in the families N = 0.5, 1.0, 2.0, and 4.0. {sup 29}Si MAS-NMR measurements were performed on these glasses to determine the short-range order around the silicon atom. A model of proportional sharing of the added potassium oxide between the silicate and the borate groups was suggested. This model was tested against other suggested models where proportional sharing begins after a minimum amount of potassium oxide, R{sub 0}, and was observed to provide a better fit to the {sup 29}Si chemical shifts obtained. As was observed in the {sup 29}Si MAS-NMR studies of the RLi{sub 2}O{center_dot}B{sub 2}O{sub 3}{center_dot}NSiO{sub 2} glasses, the proportional sharing model with R{sub 0} = 0 is in stark disagreement with that proposed by the {sup 11}B NMR studies of the alkali borosilicate glasses. This problem is as yet not understood. Since K{sub 2}CO{sub 3} was used as the starting material for K{sub 2}O, it was observed that at large R values, R > R{sub CO{sub 2}}, where R{sub CO{sub 2}} = 2.3 for N = 1, R{sub CO{sub 2}} = 4.0 for N = 2, and R{sub CO{sub 2}} = 5.0 for N = 4, CO{sub 2} was retained in the melt in the fashion similar to that observed for other high-alkali borate and silicate glasses. The N = 0.5 family did not exhibit retention at the compositions studied. {sup 29}Si MAS-NMR could be used to determine where CO{sub 2} retention began in composition and the proportion of K{sub 2}O/K{sub 2}CO{sub 3} in the melt (glass).

  9. 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.

  10. Chemical and topological short-range orders in the ternary Ni-Zr-Al metallic glasses studied by Monte Carlo simulations.

    PubMed

    Zhao, S Z; Li, J H; Liu, B X

    2013-03-01

    Based on the recently constructed Ni-Zr-Al n-body potential, Monte Carlo simulations are performed to study the glass formation and associated structural evolutions in the system. The micro-chemical inhomogeneity (MCI) parameter and Honeycutt and Anderson (HA) pair analysis are employed to investigate both the chemical short-range orders and topological short-range orders for the ternary Ni-Zr-Al metallic glasses. Results reveal that remarkable chemical short-range orders (CSROs) exist in the ternary Ni-Zr-Al metallic glasses and are strongly influenced by the chemical interactions among the constituent elements. Moreover, topological short-range orders are clearly formed in the ternary Ni-Zr-Al metallic glasses, with the most remarkable characteristic being the icosahedral local packing. Similarly to CSRO, the extent of icosahedral short-range orders formed in the Ni-Zr-Al system varies distinctly with the chemical composition. In addition, simulation results reveal that chemical short-range orders and topological short-range orders turn out to be influenced by different factors. Unlike CSRO, both chemical interactions and geometrical constraints play important roles in forming the topological short-range orders. PMID:23334440

  11. Chemical and topological short-range orders in the ternary Ni-Zr-Al metallic glasses studied by Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Zhao, S. Z.; Li, J. H.; Liu, B. X.

    2013-03-01

    Based on the recently constructed Ni-Zr-Al n-body potential, Monte Carlo simulations are performed to study the glass formation and associated structural evolutions in the system. The micro-chemical inhomogeneity (MCI) parameter and Honeycutt and Anderson (HA) pair analysis are employed to investigate both the chemical short-range orders and topological short-range orders for the ternary Ni-Zr-Al metallic glasses. Results reveal that remarkable chemical short-range orders (CSROs) exist in the ternary Ni-Zr-Al metallic glasses and are strongly influenced by the chemical interactions among the constituent elements. Moreover, topological short-range orders are clearly formed in the ternary Ni-Zr-Al metallic glasses, with the most remarkable characteristic being the icosahedral local packing. Similarly to CSRO, the extent of icosahedral short-range orders formed in the Ni-Zr-Al system varies distinctly with the chemical composition. In addition, simulation results reveal that chemical short-range orders and topological short-range orders turn out to be influenced by different factors. Unlike CSRO, both chemical interactions and geometrical constraints play important roles in forming the topological short-range orders.

  12. A short-range ordering in soft magnetic Fe-based metallic glasses studied by Mössbauer spectroscopy and Reverse Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Babilas, Rafał; Mariola, Kądziołka-Gaweł; Burian, Andrzej; Temleitner, László

    2016-05-01

    Selected soft magnetic amorphous alloys Fe80B20, Fe70Nb10B20 and Fe62Nb8B30 were produced by the melt-spinning and characterized by X-ray diffraction (XRD), transmission Mössbauer spectroscopy (MS), Reverse Monte Carlo modeling (RMC) and relative magnetic permeability measurements. The Mössbauer spectroscopy allowed to study the local environments of the Fe-centered atoms in the amorphous structure of binary and ternary glassy alloys. The MS provided also information about the changes in the amorphous structure due to the modification of chemical composition by various boron and niobium content. The RMC simulation based on the structure factors determined by synchrotron XRD measurements was also used in modeling of the atomic arrangements and short-range order in Fe-based model alloys. Addition of boron and niobium in the ternary model alloys affected the disorder in as-cast state and also influenced on the number of nearest neighbor Fe-Fe atoms, consequently. The distributions of Fe- and B-centered coordination numbers showed that N=10, 9 and 8 are dominated around Fe atoms and N=9, 8 and 7 had the largest population around B atoms in the examined amorphous alloys. Moreover, the relationship between the content of the alloying elements, the local atomic ordering and the magnetic permeability (magnetic after-effects) was mentioned.

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

    DOE PAGESBeta

    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 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

  14. 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.

  15. 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

  16. 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

  17. Peculiarity of interrelation between electronic and magnetic properties of HTSC cuprates associated with short-range antiferromagnetic order

    SciTech Connect

    Ovchinnikov, S. G. Korshunov, M. M.; Kozeeva, L. P.; Lavrov, A. N.

    2010-07-15

    We report on the results of measurements of anisotropic resistivity of RBa{sub 2}Cu{sub 3}O{sub 6+x} (R = Tm, Lu) high-temperature superconducting single crystals in a wide range of doping levels, indicating a nontrivial effect of magnetic order on the electronic properties of cuprates. In particular, our results visually demonstrate the crossover from the state with moderate anisotropy of resistivity {rho}{sub c}/{rho}{sub ab} {approx} 30 to a strongly anisotropic state with {rho}{sub c}/{rho}{sub ab} {approx} 7 x 10{sup 3} upon cooling as well as upon a decrease in the hole concentration in the CuO{sub 2} planes. It is also shown that anisotropy is sensitive to the magnetic state of CuO{sub 2} planes and attains its maximum value after the establishment of the long-range antiferromagnetic order. The results are discussed in the framework of the theory based on the t-t'-t''-J model of CuO{sub 2} layers taking into account strong electron correlations and short-range magnetic order. In this theory, anomalies of spin correlators and Fermi surface topology for a critical hole concentration of p* {approx} 0.24 are demonstrated. The concentration dependence of the charge carrier energy indicates partial suppression of energy due to the emergence of a pseudogap at p < p*. This theory explains both the experimentally observed sensitivity of anisotropy in conductivity to the establishment of the antiferromagnetic order and the absence of anomalies in the temperature dependence of resistivity {rho}{sub ab}(T) in the vicinity of the Neel temperature.

  18. 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

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

    PubMed

    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/m(3) vs. an experimental value of 2940 kg/m(3)) and for electrical conductivity (5.3-233 S/m within a temperature range of 1273.15-2273.15 K). PMID:27455915

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    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).

  1. Intricate short-range ordering and strongly anisotropic transport properties of Li(1-x)Sn(2+x)As₂.

    PubMed

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

    2015-03-18

    A new ternary compound, Li(1-x)Sn(2+x)As2, 0.2 < x < 0.4, was synthesized via solid-state reaction of elements. The compound crystallizes in a layered structure in the R3̅m space group (No. 166) with Sn-As layers separated by layers of jointly occupied Li/Sn atoms. 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 investigation by synchrotron X-ray and neutron powder diffraction indicate no long-range Li/Sn ordering. In contrast, the local Li/Sn ordering was revealed by synergistic investigations via solid-state (6,7)Li NMR spectroscopy, HRTEM, STEM, 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. The inhomogeneous local structure has a high impact on the physical properties of the synthesized compounds: the local Li/Sn ordering and multiple nanoscale interfaces result in unexpectedly low thermal conductivity and highly anisotropic resistivity in Li(1-x)Sn(2+x)As2. PMID:25702752

  2. 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.

  3. 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.

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

    DOE PAGESBeta

    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 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

  5. 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.

  6. Compositional short-range ordering in metallic alloys: Band-filling, charge-transfer, and size effects from a first-principles all-electron Landau-type theory

    NASA Astrophysics Data System (ADS)

    Staunton, J. B.; Johnson, D. D.; Pinski, F. J.

    1994-07-01

    Using a mean-field statistical description, we derive a general formalism to investigate atomic short-range order in alloys based on a density-functional description of the finite-temperature, grand potential of the random alloy. This ``first-principles,'' Landau-type approach attempts to treat several contributions (electronic structure, Fermi surface, electrostatics, magnetism, etc.) to the electronic energy on an equal footing. An important ingredient for the statistical averaging is the replacement of the molecular mean fields (Weiss fields) with Onsager cavity fields, which forces the diagonal part of the fluctuation-dissipation theorem to be obeyed. To show its general applicability and usefulness, we apply the theory to three fcc alloy systems. In Cu0.75Pd0.25, the incommensurate atomic short-range order is driven by a Fermi-surface effect, in agreement with earlier work. In contrast, Pd0.5Rh0.5 exhibits clustering tendencies, with both band-filling and charge-rearrangement effects being important in setting the spinodal temperature at 1150 K, in good agreement with experiment. In the final examples of three nickel-rich NiCr alloys, previously ignored electrostatic effects are found to play a significant role in determining the atomic short-range order.

  7. Short-range order in crystalline, amorphous, liquid, and supercooled germanium probed by x-ray-absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Filipponi, A.; di Cicco, A.

    1995-05-01

    A detailed experimental investigation of the short-range structural properties in condensed phases of germanium is presented. X-ray-absorption measurements at the Ge K edge have been collected in a wide temperature range for different samples. Polycrystalline c-Ge was measured at 77, 296, 450, 620, 782, 920, and 1110 K, close to the Ge melting-point temperature Tm=1210.4 K. Evaporated amorphous Ge was measured at 297 K. Eight independent measurements for liquid germanium have been collected from about 950 K in highly supercooled conditions up to about 1600 K. The spectra show a remarkable temperature trend. By comparison, previous diffraction measurements on l-Ge were limited to two narrow temperature regions only, either above Tm or around 1500 K, and no measurements in the supercooled liquid region existed. Data analysis has been performed with the GNXAS approach and account has been taken for the presence of double-excitation channels involving 3d and 3p electrons in addition to the 1s. The c-Ge structural results are found in excellent agreement with the known properties. The expansion of the average bond length R is in agreement with thermal expansion data. Mean-square vibrational amplitudes are in excellent agreement with both previous measurements and calculations in the harmonic approximation. The analysis of the signal in liquid Ge has been performed using a technique that allows to extract information on the radial distribution function g(r) directly comparable with molecular dynamics (MD) simulations or previous diffraction determinations. A regular trend is observed in the intensity of the first g(r) peak that decreases from 2.3 to 950 K to about 1.8 at 1610 K. At the same time a widening of the peak and a shift of the rising short distance edge is clearly detected. The data are in excellent agreement with diffraction measurements and recent ab initio MD results by Kresse and Hafner [Phys. Rev. B 49, 14 251 (1994)]. The general relevance of these

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

    NASA Astrophysics Data System (ADS)

    Babilas, Rafał; Hawełek, Łukasz; Burian, Andrzej

    2014-11-01

    The local atomic structure of the Fe80B20, Fe70Nb10B20 and Fe62Nb8B30 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 Fe3B, Fe23B6 and bcc Fe structures are also discussed.

  9. 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.

  10. Impact of short-range order on transport properties of the two-dimensional metal PdCrO2

    NASA Astrophysics Data System (ADS)

    Daou, Ramzy; Frésard, Raymond; Hébert, Sylvie; Maignan, Antoine

    2015-12-01

    We study the Hall and Nernst effects across the antiferromagnetic transition that reconstructs the quasi-two-dimensional Fermi surface of the metallic local moment antiferromagnet PdCrO2. We show that nonmonotonic temperature dependence in the Hall effect and a sign change in the Nernst effect above the ordering temperature cannot be understood within a simple single-band transport model. The inclusion of coherent scattering by critical antiferromagnetic fluctuations can qualitatively account for these features in the transport coefficients. We discuss the implications of this for the pseudogap phase of the cuprate superconductors, which have a similar Fermi surface and where the same transport signatures are observed.

  11. Crossover scaling of apparent first-order wetting in two-dimensional systems with short-ranged forces.

    PubMed

    Parry, Andrew O; Malijevský, Alexandr

    2016-06-01

    Recent analyses of wetting in the semi-infinite two-dimensional Ising model, extended to include both a surface coupling enhancement and a surface field, have shown that the wetting transition may be effectively first-order and that surprisingly the surface susceptibility develops a divergence described by an anomalous exponent with value γ_{11}^{eff}=3/2. We reproduce these results using an interfacial Hamiltonian model making a connection with previous studies of two-dimensional wetting, and we show that they follow from the simple crossover scaling of the singular contribution to the surface free-energy, which describes the change from apparent first-order to continuous (critical) wetting due to interfacial tunneling. The crossover scaling functions are calculated explicitly within both the strong-fluctuation and intermediate-fluctuation regimes, and they determine uniquely and more generally the value of γ_{11}^{eff}, which is nonuniversal for the latter regime. The location and the rounding of a line of pseudo-prewetting transitions occurring above the wetting temperature and off bulk coexistence, together with the crossover scaling of the parallel correlation length, are also discussed in detail. PMID:27415336

  12. Crossover scaling of apparent first-order wetting in two-dimensional systems with short-ranged forces

    NASA Astrophysics Data System (ADS)

    Parry, Andrew O.; Malijevský, Alexandr

    2016-06-01

    Recent analyses of wetting in the semi-infinite two-dimensional Ising model, extended to include both a surface coupling enhancement and a surface field, have shown that the wetting transition may be effectively first-order and that surprisingly the surface susceptibility develops a divergence described by an anomalous exponent with value γ11eff=3/2 . We reproduce these results using an interfacial Hamiltonian model making a connection with previous studies of two-dimensional wetting, and we show that they follow from the simple crossover scaling of the singular contribution to the surface free-energy, which describes the change from apparent first-order to continuous (critical) wetting due to interfacial tunneling. The crossover scaling functions are calculated explicitly within both the strong-fluctuation and intermediate-fluctuation regimes, and they determine uniquely and more generally the value of γ11eff, which is nonuniversal for the latter regime. The location and the rounding of a line of pseudo-prewetting transitions occurring above the wetting temperature and off bulk coexistence, together with the crossover scaling of the parallel correlation length, are also discussed in detail.

  13. 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.

  14. Statistical analysis of long- and short-range forces involved in bacterial adhesion to substratum surfaces as measured using atomic force microscopy.

    PubMed

    Chen, Yun; Busscher, Henk J; van der Mei, Henny C; Norde, Willem

    2011-08-01

    Surface thermodynamic analyses of microbial adhesion using measured contact angles on solid substrata and microbial cell surfaces are widely employed to determine the nature of the adhesion forces, i.e., the interplay between Lifshitz-van der Waals and acid-base forces. While surface thermodynamic analyses are often viewed critically, atomic force microscopy (AFM) can also provide information on the nature of the adhesion forces by means of Poisson analysis of the measured forces. This review first presents a description of Poisson analysis and its underlying assumptions. The data available from the literature for different combinations of bacterial strains and substrata are then summarized, leading to the conclusion that bacterial adhesion to surfaces is generally dominated by short-range, attractive acid-base interactions, in combination with long-range, weaker Lifshitz-van der Waals forces. This is in line with the findings of surface thermodynamic analyses of bacterial adhesion. Comparison with single-molecule ligand-receptor forces from the literature suggests that the short-range-force contribution from Poisson analysis involves a discrete adhesive bacterial cell surface site rather than a single molecular force. The adhesion force arising from these cell surface sites and the number of sites available may differ from strain to strain. Force spectroscopy, however, involves the tedious task of identifying the minor peaks in the AFM retraction force-distance curve. This step can be avoided by carrying out Poisson analysis on the work of adhesion, which can also be derived from retraction force-distance curves. This newly proposed way of performing Poisson analysis confirms that multiple molecular bonds, rather than a single molecular bond, contribute to a discrete adhesive bacterial cell surface site. PMID:21642399

  15. Thermomagnetic irreversibility and magnetic short range ordering in Mn{sub 2.5}Co{sub 0.5}O{sub 4} tetragonal spinel thin films

    SciTech Connect

    Kuo, K. M.; Chern, G.; Li, Y. Y.; Wang, C. R.

    2010-05-15

    Mn{sub 2.5}Co{sub 0.5}O{sub 4} films are grown on MgO(001) and (011) substrate by molecular beam epitaxy. Detailed structural and magnetic analyses are carried out by x-ray diffraction and magnetization measurements. The reduction of the lattice parameter c/a* ratio and the enhancement of the Curie temperature (from 43 to 66 K), due to the weakening of the Jahn-Teller effect, are observed. In addition, thermomagnetic reversibility is observed at lower temperature and low external filed indicating the existence of local canting states. The randomness of Co cation and uniaxial anisotropy further enhance the local canting effect. An H-T phase diagram is mapped out, which indicates a short rang order state in the temperature 66-85 K separating the ferrimagentic and paramagnetic phases.

  16. Short-range incommensurate d-wave charge order from a two-loop renormalization group calculation of the ferm-ionic hot spot model

    NASA Astrophysics Data System (ADS)

    Freire, Hermann; de Carvalho, Vanuildo

    2015-03-01

    The two-loop renormalization group (RG) calculation is considerably extended here for a 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' 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 incommensurate d-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. We acknowledge financial support from CNPq under Grant No. 245919/2012-0 and FAPEG under Grant No. 201200550050248 for this project.

  17. Structure of short-range-ordered iron(III)-precipitates formed by iron(II) oxidation in water containing phosphate, silicate, and calcium

    NASA Astrophysics Data System (ADS)

    Voegelin, A.; Frommer, J.; Vantelon, D.; Kaegi, R.; Hug, S. J.

    2009-04-01

    The oxidation of Fe(II) in water leads to the formation of Fe(III)-precipitates that strongly affect the fate of nutrients and contaminants in natural and engineered systems. Examples include the cycling of As in rice fields irrigated with As-rich groundwater or the treatment of drinking water for As removal. Knowledge of the types of Fe(III)-precipitates forming in such systems is essential for the quantitative modeling of nutrient and contaminant dynamics and for the optimization of water purification techniques on the basis of a mechanistic understanding of the relevant biogeochemical processes. In this study, we investigated the local coordination of Fe, P, and Ca in Fe(III)-precipitates formed by aeration of synthetic Fe(II)-containing groundwater with variable composition (pH 7, 2-30 mg/L Fe(II), 2-20 mg/L phosphate-P, 2-20 mg/L silicate-Si, 8 mM Na-bicarbonate or 2.5 mM Ca-&1.5 mM Mg-bicarbonate). After 4 hours of oxidation, Fe(III)-precipitates were collected on 0.2 µm nylon filters and dried. The precipitates were analyzed by Fe K-edge EXAFS (XAS beamline, ANKA, Germany) and by P and Ca K-edge XANES spectroscopy (LUCIA beamline, SLS, Switzerland). The Fe K-edge EXAFS spectra indicated that local Fe coordination in the precipitates systematically shifted with water composition. As long as water contained P, mainly short-range-ordered Fe(III)-phosphate formed (with molar P/Fe ~0.5). In the absence of P, Fe(III) precipitated as hydrous ferric oxide at high Si/Fe>0.5, as ferrihydrite at intermediate Si/Fe, and mainly as lepidocrocite at Si/Fe<0.2. Analysis of the EXAFS by shell-fitting indicated that Fe(III)-phosphates mainly contained mono- or oligomeric (edge- or corner-sharing) Fe and that the linkage between neighboring Fe(III)-octahedra changed from predominantly edge-sharing in Si-rich hydrous ferric oxide to edge- and corner-sharing in ferrihydrite. Electron microscopic data showed that changes in local precipitate structure were systematically

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

    SciTech Connect

    Du, Yingzhou; Lograsso, Thomas A.; McQueeney, Robert 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.

  19. Spin wave dispersion and magnons from short range order in tapiolite (FeTa2O6); a quasi-two-dimensional antiferromagnet

    NASA Astrophysics Data System (ADS)

    Hague, J. P.; Chung, E. M. L.; Visser, D.; Balakrishnan, G.; Clementyev, E.; Paul, D. MK; Lees, M. R.

    2005-11-01

    We describe neutron inelastic scattering measurements of spin waves in the quasi-two-dimensional antiferromagnet FeTa2O6. The intrinsic spin wave dispersion for a single domain is deduced from linear spin wave theory and used to determine the intra-plane exchange coefficients. Almost dispersion-free excitations are observed along the c* direction perpendicular to the magnetic planes. This justifies the neglect of inter-plane coupling, which merely stabilizes the ordered configuration below TN. Spin wave theory yields values for the nearest neighbour and next nearest neighbour exchange constants on perpendicular diagonals of J = -0.040(9) meV, J'/J = 0.20(0), J''/J = 0.23(9), and the anisotropy parameter D = 0.31(8) meV. The large value of D shows an Ising-like spin configuration to be consistent with the experimental data. Measurements of the temperature dependence of the scattering show that magnetic excitations persist to at least 20 K (over two times TN) due to the extensive 2D short range order. This is a highly unusual result, and has consequences for the understanding of two-dimensional spin systems.

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

    PubMed

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

    2016-03-01

    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 [Formula: see text] is dominant, and in the Cu-rich one the distorted icosahedral orders, especially [Formula: see text] and [Formula: see text], are prominent. And the [Formula: see text] polyhedra in Cu50Zr45Al5 MG mainly originate from Al-centered clusters, while the [Formula: see text] 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. 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. PMID:26828778

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    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. 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.

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

    DOE PAGESBeta

    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 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

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

    DOE PAGESBeta

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

    2016-02-01

    In this study, 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-centeredmore » 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. 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

  4. Long- and short-range order in the Pd6B monoclinic superstructure and M6X5 and M6X allied superstructures

    NASA Astrophysics Data System (ADS)

    Gusev, A. I.

    2011-07-01

    Symmetry analysis of the Pd6B monoclinic superstructure (space group C2/ c) formed in the cubic (with the B1 structure) solid solution of boron in palladium (PdB y ) has been carried out. The formation of this superstructure proceeds as a first-order phase transition via the disorder-order channel including nine nonequivalent superstructure vectors of four stars { k 10}, { k 4}, { k 3}, and { k 0}. For the Pd6B monoclinic super-structure (space group C2/ c), the distribution function for boron atoms is calculated and the interval of admissible values of the long-range order parameters is defined. It is shown that the transition channel determined in this way coincides with the channel in which the M6X monoclinic superstructure (space group C2) is formed; therefore, the Pd6B superstructure can also be described in space group C2 to the same degree of accuracy. The higher symmetry of the monoclinic model (space group C2/ c) suggests that it describes the structure of the Pd6B phase (Pd6B□5), as well as of mutually inverse phases M6X□5 and M6X5□, more adequately than the model with space group C2. It is shown that superstructures of the M6X□5 type (space groups C2/ c, C2, C2/ m, and P31) and inverse superstructures of the M6X5□ type with the same space groups have the positions of the nearest surrounding of metal atoms by two types of nonmetallic sublattice sites located in the first and second coordination spheres.

  5. Intentionally Short Range Communications (ISRC)

    NASA Astrophysics Data System (ADS)

    Yen, J.; Poirier, P.; Obrien, M. E.; Gibeson, L.

    1993-05-01

    This document details the feasibility studies conducted for the Intentionally Short Range Communications (ISRC) project. The short-range limitation arises from the need for low probability of intercept (LPI), low probability of detection (LPD) communication links. The detection of an undecipherable transmission would still provide an enemy with information regarding transmitter location. The technologies being studied are ultraviolet (UV) lamps, UV lasers, infrared (IR) lasers, millimeter waves (MMW), and direct sequence spread spectrum.

  6. LETTER TO THE EDITOR: Simultaneous analysis of changes in long-range and short-range structural order at the displacive phase transition in quartz

    NASA Astrophysics Data System (ADS)

    Tucker, Matthew G.; Dove, Martin T.; Keen, David A.

    2000-12-01

    A new look at the displacive phase transition in quartz is reported, using neutron total diffraction experiments and a new implementation of the Reverse Monte Carlo method in which explicit account is taken of the Bragg peak intensities. This approach yields information about short-range and long-range details of the phase transition simultaneously, and reproduces both aspects of the structure correctly and self-consistently. This study gives, for the first time, a visualization of what actually happens at the phase transition. The picture which emerges is that the symmetry-change associated with the phase transition allows the excitation of many low-frequency high-amplitude modes of vibration which create considerable orientational disorder of the SiO4 tetrahedra.

  7. 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.

  8. Short Range Correlations in Nuclei

    SciTech Connect

    L. B. Weinstein

    2006-11-01

    Short range correlations (SRC) are an extremely important part of nuclear structure. They are responsible for the high momentum part of the nuclear wavefunction. Instantaneous densities can significantly exceed the average neutron star density. Recent (e,e[prime]) measurements at Jefferson Lab have shown that SRC are universal in nuclei from deuterium to gold, that the probability of two-nucleon SRC is 5-25%, and that the probability of three-nucleon SRC is less than 1%. Recent (e,e[prime]pn) measurements have measured the SRC probabilities as a function of proton momentum and have measured the joint NN momentum distributions.

  9. Crystal fields, disorder, and antiferromagnetic short-range order in (Yb{sub 0.24}Sn{sub 0.76})Ru

    SciTech Connect

    Klimczuk, T; Wang, C H; Lawrence, J M; Xu, Q; Durakiewicz, T; Ronning, F; Llobet, A; Trouw, F; Kurita, N; Tokiwa, Y; Lee, Han-oh; Booth, C H; Gardner, J S; Bauer, E D; Joyce, J J; Zandbergen, H W; Movshovich, R; Cava, R J; Thompson, J D

    2011-07-18

    We report extensive measurements on a new compound (Yb{sub 0.24}Sn{sub 0.76})Ru that crystallizes in the cubic CsCl structure. Valence band photoemission and L{sub 3} x-ray absorption show no divalent component in the 4f configuration of Yb. Inelastic neutron scattering (INS) indicates that the eight-fold degenerate J-multiplet of Yb{sup 3+} is split by the crystalline electric field (CEF) into a Γ{sub 7} doublet ground state and a Γ{sub 8} quartet at an excitation energy 20 meV. The magnetic susceptibility can be fit very well by this CEF scheme under the assumption that a Γ{sub 6} excited state resides at 32 meV; however, the Γ{sub 8}/Γ{sub 6} transition expected at 12 meV was not observed in the INS. The resistivity follows a Bloch-Grüneisen law shunted by a parallel resistor, as is typical of systems subject to phonon scattering with no apparent magnetic scattering. All of these properties can be understood as representing simple local moment behavior of the trivalent Yb ion. At 1 K, there is a peak in specific heat that is too broad to represent a magnetic phase transition, consistent with absence of magnetic reflections in neutron diffraction. On the other hand, this peak also is too narrow to represent the Kondo effect in the Γ{sub 7} ground state doublet. On the basis of the field-dependence of the specific heat, we argue that antiferromagnetic shortrange order (possibly co-existing with Kondo physics) occurs at low temperatures. The long-range magnetic order is suppressed because the Yb site occupancy is below the percolation threshold for this disordered compound.

  10. 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 .

  11. 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.

  12. Short-Range Nucleon-Nucleon Correlations

    SciTech Connect

    Douglas Higinbotham

    2011-10-01

    Valence-shell nucleon knock-out experiments, such as 12C(e,e'p)11B, measure less strength then is predicted by independent particle shell model calculations. The theoretical solution to this problem is to include the correlations between the nucleons in the nucleus in the calculations. Motivated by these results, many electron scattering experiments have tried to directly observe these correlations in order to gain new insight into the short-range part of the nucleon-nucleon potential. Unfortunately, many competing mechanisms can cause the same observable final-state as an initial-state correlation, making truly isolating the signal extremely challenging. This paper reviews the recent experimental evidence for short-range correlations, as well as explores the possibility that such correlations are responsible for the EMC effect in the 0.3 < xB < 0.7 deep inelastic scattering ratios.

  13. Short range order in amorphous polycondensates

    SciTech Connect

    Lamers, C.; Richter, D.; Schweika, W.; Batoulis, J.; Sommer, K.; Cable, J.W.; Shapiro, S.M.

    1992-12-01

    The static coherent structure factors S(Q) of the polymer glass Bisphenol-A-Polycarbonate and its chemical variation Bisphenol-A- Polyctherkctone- both in differently deuterated versions- have been measured by spin polarized neutron scattering. The method of spin polarization analysis provided an experimental separation of coherent and incoherent scattering and a reliable intensity calibration. Results are compared to structure factors calculated for model structures which were obtained by ``amorphous cell`` computer simulations. In general reasonable agreement is found between experiment and simulation; however, certain discrepancies hint at an insufficient structural relaxation in the amorphous cell method. 15 refs, 1 fig, 1 tab.

  14. 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.

  15. Short range gravity and T-Violation

    NASA Astrophysics Data System (ADS)

    Tanaka, Saki

    2014-09-01

    A torsion balance experiment Newton-IVh at Rikkyo University, aiming to test gravitational inverse square law at millimeter scale, and the MTV-G experiment searching a strong gravity at around nuclei utilizing detector setup for a T-Violation (the MTV) experiment at TRIUMF will be introduced. In addition, comparison with the LHC results on search for the large extra dimension and the sensitivity of the short range gravity experiments will be discussed on the contexts of conventional Yukawa and power law parameterizations. The experimental constraints obtained from atomic spectroscopy including anti-protonic helium atom, together with our results at Rikkyo University on the test of universality of free fall in centimeter scale, will also be discussed as a test of inverse square law and composition depending gravity, which can be investigated at antimatter gravity experiments.

  16. Examination of carbon associated with metal-humus complexes, short-range-order Al and Fe oxides, and crystalline Al and Fe oxides: Differences in carbon abundance and mean residence time

    NASA Astrophysics Data System (ADS)

    Heckman, K. A.; Lawrence, C. R.

    2012-12-01

    Transport of SOM (soil organic matter) between soils and aquatic systems is regulated in part by sorption and desorption reactions happening at mineral surfaces, as well as precipitation and dissolution of metal-humus complexes. Fe and Al hydroxides play a particularly significant role in SOM stabilization in soils due to their ubiquitous distribution and their highly reactive surface properties. Fe and Al hydroxides exist in soils across a wide spectrum of crystallinity, ranging from dissolved Fe and Al cations which combine with organics to form metal-humus precipitates to the more crystalline end members, goethite and gibbsite, which sorb SOM through a variety of molecular interactions. Though the importance of these sorption and precipitation reactions has long been recognized, the distribution of SOM among Fe and Al hydroxides of differing crystallinity has not been well quantified, nor has the timescales over which these stabilization mechanisms operate. In an attempt to measure the distribution of organic C among i) Al- and Fe-humus complexes ii) short-range-order Al and Fe oxide surfaces and iii) crystalline Al and Fe oxide surfaces, a suite of selective dissolutions were applied to soils of four different geneses (a tropical forest andosol, a temperate basaltic mollisol, a grassland alfisol, and a northern pine spodosol. The traditional reactants used in selective dissolutions were replaced with carbon-free analogues so that the carbon released along with the Fe and Al at each stage of the selective dissolution process could be examined. Selective dissolutions were performed sequentially: Na-pyrophosphate (Al- and Fe-humus complexes) followed by hydroxyl-amine (short-range-order Al and Fe hydroxides) followed by dithionite/HCl (crystalline Al and Fe hydroxides). Carbon concentration, δ13C, and Δ14C were measured for the solutions yielded by each stage of the selective dissolution process. Δ14C were used to estimate a MRT (mean residence time) for SOM

  17. 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.

  18. 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.

  19. Relaxor-like ferroelectric behaviour favoured by short-range B-site ordering in 10% Ba{sup 2+} substituted MgFe{sub 2}O{sub 4}

    SciTech Connect

    Chithra Lekha, P.; Ramesh, G.; Revathi, V.; Subramanian, V.

    2014-05-01

    Graphical abstract: - Highlights: • Mechanism driving polarization in MgFe{sub 2}O{sub 4} is the Maxwell–Wagner polarization. • But Raman studies confirm the existence of local P4{sub 1}22/P4{sub 3}22 symmetry in MgFe{sub 2}O{sub 4}. • Ba{sup 2+} substitution increases ferroelectric ordering, ΔT{sub m} span, and masks electronic contribution. - Abstract: Using the molten salt method, pristine and Ba{sup 2+} substituted MgFe{sub 2}O{sub 4} are prepared. The relaxor-like behaviour observed in the dielectric dispersion indicates the existence of B-site short-range ordering with the local P4{sub 1}22/P4{sub 3}22 symmetry which is confirmed by the Raman spectroscopy. The paper further analyses the origin of polarization using Maxwell–Wagner fit and Nyquist plot. This work suggests a possible way to increase the relaxor-like ferroelectric ordering, larger span of relaxation temperature (ΔT{sub m}) and the effective masking of electronic contribution by the substitution of Ba{sup 2+} ion.

  20. Quantification of the abundance and mean residence time of carbon associated with metal-humus complexes, short-range-order Al and Fe hydroxides, and crystalline Fe oxyhydroxides across a suite of ecosystems

    NASA Astrophysics Data System (ADS)

    Heckman, K. A.; Lawrence, C. R.

    2013-12-01

    Stabilization of SOM (soil organic matter) is regulated in part by sorption and desorption reactions happening at mineral surfaces, as well as precipitation and dissolution of metal-humus complexes. Fe and Al hydroxides play a particularly significant role in SOM stabilization in soils due to their ubiquitous distribution and their highly reactive surface properties. Fe and Al hydroxides exist in soils across a wide spectrum of crystallinity, ranging from dissolved Fe and Al cations which combine with organics to form metal-humus precipitates to the more crystalline end members, goethite and gibbsite, which sorb SOM through a variety of molecular interactions. Though the importance of these sorption and precipitation reactions has long been recognized, the distribution of SOM among Fe and Al hydroxides of differing crystallinity has not been well quantified, nor has the timescales over which these stabilization mechanisms operate. In an attempt to measure the distribution of organic C among i) Al- and Fe-humus complexes ii) short-range-order Al and Fe hydroxide surfaces and iii) crystalline Fe oxyhydroxide surfaces, a suite of selective dissolutions were applied to soils of four different geneses (a tropical forest Andisol, a temperate forest basaltic Mollisol, a mediterranean coastal prairie Mollisol, and a northern mixed hardwood forest Spodosol. The traditional reactants used in selective dissolutions were replaced with carbon-free analogues so that the carbon released along with the Fe and Al at each stage of the selective dissolution process could be examined. Selective dissolutions were performed sequentially: Na-pyrophosphate (Al- and Fe-humus complexes) followed by hydroxylamine (short-range-order Al and Fe hydroxides) followed by dithionite/HCl (crystalline Fe hydroxides). C, Al, and Fe concentrations, as well as Δ14C were measured for the solutions yielded by each stage of the selective dissolution process. Δ14C data were used to estimate a MRT (mean

  1. Structural modulations in the rare-earth metal digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between long- and short-range vacancy ordering.

    PubMed

    Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen

    2015-02-01

    Rare-earth metal aluminum germanides with the general formula REAl(1-x)Ge(2) (RE = Gd, Tb, Dy, Ho, Er, Tm, Lu, and Y) have been synthesized by direct fusion of the corresponding elements. The structures have been studied by single-crystal X-ray diffraction and selected-area electron diffraction (SAED). The average structure represents a randomly "stuffed" variant of the orthorhombic ZrSi(2) structure type, also known as the CeNi(1-x)Si(2) type (Pearson symbol oC16; space group Cmcm). The SAED patterns for selected members of the family suggest the coexistence of commensurate and incommensurate structural modulations. The most prominent model for long-range vacancy ordering is the Tb(4)FeGe(8) type (Pearson symbol mP26; space group P21/n), which is the commensurate 4-fold superstructure of CeNi(1-x)Si(2) (x = (3)/4). Short-range correlations cause additional deviations in the 4-fold superlattice. These results shed more light on the structural complexity as a function of the aluminum vacancies and size of the rare-earth metal. Magnetic susceptibility measurements are presented and discussed. The measured ordering temperatures and calculated ones based on empirical rules and Ruderman-Kittel-Kasuya-Yosida interactions are shown to be in close agreement. PMID:24964140

  2. Gapped and gapless short-range-ordered magnetic states with (1/2 ,1/2 ,1/2 ) wave vectors in the pyrochlore magnet Tb2 +xTi2 -xO7 +δ

    NASA Astrophysics Data System (ADS)

    Kermarrec, E.; Maharaj, D. D.; Gaudet, J.; Fritsch, K.; Pomaranski, D.; Kycia, J. B.; Qiu, Y.; Copley, J. R. D.; Couchman, M. M. P.; Morningstar, A. O. R.; Dabkowska, H. A.; Gaulin, B. D.

    2015-12-01

    Recent low-temperature heat capacity (CP) measurements on polycrystalline samples of the pyrochlore antiferromagnet Tb2 +xTi2 -xO7 +δ have shown a strong sensitivity to the precise Tb concentration x , with a large anomaly exhibited for x ˜0.005 at TC˜0.5 K and no such anomaly and corresponding phase transition for x ≤0 . We have grown single-crystal samples of Tb2 +xTi2 -xO7 +δ , with approximate composition x =-0.001 ,+0.0042 , and +0.0147 , where the x =0.0042 single crystal exhibits a large CP anomaly at TC=0.45 K, but neither the x =-0.001 nor the x =+0.0147 single crystals display any such anomaly. We present new time-of-flight neutron scattering measurements on the x =-0.001 and the x =+0.0147 samples which show strong (1/2 ,1/2 ,1/2 )">1/2 ,1/2 ,1/2 quasi-Bragg peaks at low temperatures characteristic of short-range antiferromagnetic spin ice (AFSI) order at zero magnetic field but only under field-cooled conditions, as was previously observed in our x =0.0042 single crystal. Furthermore, the frozen AFSI state displays a gapped spin excitation spectrum around (1/2 ,1/2 ,1/2 ) quasi-Bragg peaks and gapped AFSI state at low temperatures under field-cooled conditions are robust features of Tb2Ti2O7 , and are not correlated with the presence or absence of the CP anomaly and phase transition at low temperatures. Further, these results show that the ordered state giving rise to the CP anomaly is confined to 0 ≤x ≤0.01 for Tb2 +xTi2 -xO7 +δ , and is not obviously connected with conventional order of magnetic dipole degrees of freedom.

  3. Intentionally Short-Range Communications (ISRC)

    NASA Astrophysics Data System (ADS)

    Yen, J.; Poirier, P.; Obrien, M.

    1994-02-01

    The U.S. Marine Corps (USMC) desired to develop short-range communications links whose ranges are intentionally limited to very short distances. These links support tactical missions such as LAN Backbone, Wideband Data Link, and Company Radio. The short-range limitation arises from the need for low probability of detection and intercept (LPD/LPI). Since the detection of an undecipherable transmission would still provide an enemy with information regarding transmitter location and allow him to take countermeasures, the Marine Corps Systems Command (MARCORSYSCOM) is sponsoring the development of technologies that can be LPD by their very nature. The Intentionally Short-Range Communications (ISRC) project at the Naval Command, Control and Ocean Surveillance Center (NCCOSC) RDT&E Division (NRaD) is pursuing feasibility studies for these USMC missions based on such technologies as ultraviolet (LTV) lamps, UV lasers, infrared (IR) lasers, millimeter waves and direct sequence spread spectrum (DSSS) at radio frequencies.

  4. 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.

  5. 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.

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

    NASA Astrophysics Data System (ADS)

    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

    2016-08-01

    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 m2 , improving by an order of magnitude the sensitivity to numerous types of Lorentz violation involving quadratic curvature derivatives and curvature couplings.

  7. 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. PMID:27563946

  8. 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

  9. 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.

  10. 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.

  11. 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., Jr.; 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.

  12. An artificial boundary approach for short-ranged interactions

    NASA Astrophysics Data System (ADS)

    Jacobs, David M.

    2016-07-01

    Real physical systems are only understood, experimentally or theoretically, to a finite resolution so in their analysis there is generally an ignorance of possible short-range phenomena. It is also well-known that the boundary conditions of wavefunctions and fields can be used to model short-range interactions when those interactions are expected, a priori. Here, a real-space approach is described wherein an artificial boundary of ignorance is imposed to explicitly exclude from analysis the region of a system wherein short-distance effects may be obscure. The (artificial) boundary conditions encode those short-distance effects by parameterizing the possible UV completions of the wavefunction. Since measurable quantities, such as spectra and cross sections, must be independent of the position of the artificial boundary, the boundary conditions must evolve with the radius of the boundary in a particular way. As examples of this approach, an analysis is performed of the non-relativistic free particle, harmonic oscillator, and Coulomb potential, and some known results for point-like (contact) interactions are recovered, however from a novel perspective. Generically, observables differ from their canonical values and symmetries are anomalously broken compared to those of idealized models. Connections are made to well-studied physical systems, such as the binding of light nuclei and cold atomic systems. This method is arguably more physically transparent and mathematically easier to use than other techniques that require the regularization and renormalization of delta-function potentials, and may offer further generalizations of practical use.

  13. 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.

  14. 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

  15. Short range magnetic exchange interaction favors ferroelectricity

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    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.

  16. Short range magnetic exchange interaction favors ferroelectricity.

    PubMed

    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

  17. Extracting short-ranged interactions from structure factors

    NASA Astrophysics Data System (ADS)

    Louis, A. A.

    2011-12-01

    Inverting scattering experiments to obtain effective interparticle interactions is generally a poorly conditioned problem. L. Reatto [Phil. Mag. A 58, 37 (1986)] showed that for atomic liquids close to the triple point, inversions are hard because the structure closely resembles that of an equivalent hard-sphere fluid. Here I demonstrate that at low concentrations and for particles with short-ranged attractive potentials, S(k) also exhibits a very weak dependence on potential shape. Instead, different potentials all generate an S(k) that closely resembles that of the Baxter model with a similar second-virial coefficient. By contrast, in this energetic fluid regime, the inversion of an attractive interaction from real-space correlations such as the radial distribution function g(r) is well conditioned. Nevertheless, one may extract further information from S(k) by measuring isosbestic points, values of k where the scattering intensity I(k) or the structure factor S(k) is invariant to changes in interaction-potential well depth. These points suggest a new extended corresponding states principle for particles in solution based on the packing fraction, the second osmotic virial coefficient, and a new measure of effective potential range.

  18. 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.

  19. Effect of anisotropic exchange interactions and short-range phenomena on superfluidity in a homogeneous dipolar Fermi gas

    NASA Astrophysics Data System (ADS)

    Corro, I.; Martin, A. M.

    2016-08-01

    We develop a simple numerical method that allows us to calculate the BCS superfluid transition temperature Tc precisely for any interaction potential. We apply it to a polarized, ultracold Fermi gas with long-range, anisotropic, dipolar interactions and include the effects of anisotropic exchange interactions. We pay particular attention to the short-range behavior of dipolar gases and reexamine current renormalization methods. In particular, we find that dimerization of both atoms and molecules significantly hampers the formation of a superfluid. The end result is that at high density or interaction strengths, we find Tc is orders of magnitude lower than previous calculations.

  20. Short-range correlations control the G/K and Poisson ratios of amorphous solids and metallic glasses

    SciTech Connect

    Zaccone, Alessio; Terentjev, Eugene M.

    2014-01-21

    The bulk modulus of many amorphous materials, such as metallic glasses, behaves nearly in agreement with the assumption of affine deformation, namely that the atoms are displaced just by the amount prescribed by the applied strain. In contrast, the shear modulus behaves as for nonaffine deformations, with additional displacements due to the structural disorder which induce a marked material softening to shear. The consequence is an anomalously large ratio of the bulk modulus to the shear modulus for disordered materials characterized by dense atomic packing, but not for random networks with point atoms. We explain this phenomenon with a microscopic derivation of the elastic moduli of amorphous solids accounting for the interplay of nonaffinity and short-range particle correlations due to excluded volume. Short-range order is responsible for a reduction of the nonaffinity which is much stronger under compression, where the geometric coupling between nonaffinity and the deformation field is strong, whilst under shear this coupling is weak. Predictions of the Poisson ratio based on this model allow us to rationalize the trends as a function of coordination and atomic packing observed with many amorphous materials.

  1. 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.

  2. Contrast inversion in nc-AFM on Si(111)7×7 due to short-range electrostatic interactions

    NASA Astrophysics Data System (ADS)

    Guggisberg, M.; Pfeiffer, O.; Schär, S.; Barwich, V.; Bammerlin, M.; Loppacher, C.; Bennewitz, R.; Baratoff, A.; Meyer, E.

    Contrast inversion in nc-AFM on Si(111)7×7 is observed at positive sample bias. Corner holes appear as protrusions and adatoms as holes. The application of negative bias voltages causes drastic changes in the atomic constrast. Frequency shift vs distance curves show evidence of short-range, voltage-dependent forces. These observations indicate that short-range electrostatic forces are important for atomic-scale contrast in nc-AFM.

  3. Short range prediction and monitoring of downbursts over Indian region

    NASA Astrophysics Data System (ADS)

    Johny, C. J.; Prasad, V. S.; Singh, S. K.; Basu, Swati

    2016-05-01

    Convective downdraft motions and related outflow wind considered as an eventual source of potential damage which can be more severe in the aviation sector. A great variety of atmospheric environments can produce these downdraft motions. These events are not easily detectable using conventional weather radar or wind shear alert systems, while Doppler radars are useful for identifying these Downbursts. In order to identify the situations that can cause these downdraft events different diagnostic tools are designed. Recently launched Indian satellite INSAT-3D, with atmospheric sounder and imager on board, is capable of identifying regions of downburst occurrence and can help in monitoring them in real time. Some Downburst events reported over different parts of India, during January-April period is investigated using Microburst Wind Speed Potential Index (MWPI) and thermodynamic characteristics derived from the NCMRWF GFS (NGFS) model. An attempt is made to make a short range prediction of these events using MWPI computed from NGFS model forecasts. The results are validated with in-situ observations and also by employing INSAT-3D data and it is shown that the method has a reasonable success. All the investigated downdraft events are associated with the hybrid Microburst environment.

  4. Folding of polymer chains with short-range binormal interactions

    NASA Astrophysics Data System (ADS)

    Craig, A.; Terentjev, E. M.

    2006-05-01

    We study the structure of chains which have anisotropic short-range contact interactions that depend on the alignment of the binormal vectors of chain segments. This represents a crude model of hydrogen bonding or 'stacking' interactions out of the plane of curvature. The polymers are treated as ribbon-like semi-flexible chains, where the plane of the ribbon is determined by the local binormal. We show that with dipole-dipole interactions between the binormals of contacting chain segments, mean-field theory predicts a first-order transition to a binormally aligned state. We describe the onset of this transition as a function of the temperature-dependent parameters that govern the chain stiffness and the strength of the binormal interaction, as well as the binormal alignment's coupling to chain collapse. We also examine a metastable state governing the folding kinetics. Finally, we discuss the possible mesoscopic structure of the aligned phase, and application of our model to secondary structure motifs like β-sheets and α-helices, as well as composite structures like β-(amyloid) fibrils.

  5. Effective interactions and atomic ordering in Ni-rich Ni-Re alloys

    NASA Astrophysics Data System (ADS)

    He, Shuang; Peng, Ping; Gorbatov, Oleg I.; Ruban, Andrei V.

    2016-07-01

    Interatomic interactions and ordering in fcc Ni-rich Ni-Re alloys are studied by means of first-principles methods combined with statistical mechanics simulations based on the Ising Hamiltonian. First-principles calculations are employed to obtain effective chemical and strain-induced interactions, as well as ordering energies and enthalpies of formation of random and ordered Ni-Re alloys. Based on the nonmagnetic enthalpies of formation, we speculate that the type of ordering can be different in alloys with Re content less than 10 at.%. We demonstrate that effective chemical interactions in this system are quite sensitive to the alloy composition, atomic volume, and magnetic state. In statistical thermodynamic simulations, we have used renormalized interactions, which correctly reproduce ordering energies obtained in the direct total energy calculations. Monte Carlo simulations for Ni0.91Re0.09 alloy show that there exists a strong ordering tendency of the (1 1/2 0 ) type leading to precipitation of the D1 a ordered structure at about 940 K. Our results for the atomic short-range order indicate, however, that the presently applied theory overestimates the strength of the ordering tendency compared to that observed in the experiment.

  6. 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.

  7. 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.

  8. All-order approach to high-precision atomic calculation

    NASA Astrophysics Data System (ADS)

    Iskrenova-Tchoukova, Eugeniya

    High-precision atomic calculations combined with experiments of matching accuracy provide an excellent opportunity to test our understanding of atomic structure and properties as well as the many-body atomic theories. The relativistic all-order method, which is a linearized version of the coupled-cluster singles-doubles method, has proven to yield high precision results for a variety of atomic properties. In this thesis, we study the atomic properties of neutral atoms and ions by means of the relativistic all-order method. The lifetimes and ground state static polarizabilities of a singly ionized barium atom are studied in comparison with the isoelectronic neutral cesium atom and with a singly ionized calcium atom. The lifetimes of a number of excited states in atomic potassium, rubidium, and francium are theoretically calculated and compared with the available experimental data. The magnetic dipole hyperfine constant of the 9S1/2 state in 210Fr is calculated and the result is combined with the experimental one to extract the value of the 210Fr nuclear magnetic moment. Another part of the thesis work focuses on the development and implementation of an extension of the currently used all-order singles-doubles (SD) method to include all valence triple excitations in an iterative way, all-order SD+vT approximation. Some of the ideas and results presented in Chapters 4, 5, and 6 have been published and are subject to copyright laws. These publications are cited accordingly.

  9. 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

  10. Multiscale structural changes of atomic order in severely deformed industrial aluminum

    NASA Astrophysics Data System (ADS)

    Samoilenko, Z. A.; Ivakhnenko, N. N.; Pushenko, E. I.; Pashinskaya, E. G.; Varyukhin, V. N.

    2016-02-01

    The regularities of multiscale structural changes in the atomic order of the aluminum alloy AD-1 after a severe cold plastic deformation by conventional rolling in smooth rolls or in rolls with relief recesses favorable for shear deformation have been investigated. It has been found that there are four types of structural fractions that differ in scale and perfection of atomic order: crystallographic planes with a long-range order; nanoscale fragments of the planes ( D = 100-300 Å) with an incipient long-range order; smaller groups of atoms ( D = 20-30 Å) of amorphized structure; and the least ordered structural fraction of intercluster medium, keeping only a short-range atomic order (2-3 interatomic distances, 10 Å). The presence of diffuse halo bands in the region of intense Debye lines indicates phase transitions of the order → disorder type with the formation of one to three groups of amorphous clusters with the dominance, in the nanometer scale, of the atomic order characteristic of the family of planes (111), (220), and (311) of crystalline aluminum. We have found a dynamic phase transition with the changing crystallographic order of aluminum, with the matrix structure of a face-centered cubic (FCC) lattice, in the form of nanosized local groups of atoms, that is, the deformation clusters of aluminum with a simple cubic K6 lattice. In the case of conventional rolling, the development of large clusters 50-500 Å in size is observed; however, in the use of rolls with relief recesses, the difference in the sizes of the clusters is one half as much: 50-250 Å. Based on the analysis of the integrated intensity of incoherent X-ray scattering by the samples, we have elucidated the nature of the lowest measured density for the sample subjected to conventional rolling, which consists in the volume concentration of disorderly arranged atoms, the highest of the compared structures, which indicates the formation therein of the greatest amount of fluctuation "voids."

  11. 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.

  12. 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.

  13. 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.

  14. Short-range mechanical properties of skeletal and cardiac muscles.

    PubMed

    Campbell, Kenneth S

    2010-01-01

    Striated muscles are disproportionately stiff for small movements. This facet of their behavior can be demonstrated by measuring the force produced when the muscle is stretched more than about 1% of its initial length. When this is done, it can be seen that force rises rapidly during the initial phases of the movement and much less rapidly during the latter stages of the stretch. Experiments performed using chemically permeabilized skeletal and cardiac muscles show that the initial stiffness of the preparations increases in proportion with isometric force as the free Ca²(+) concentration in the bathing solution is raised from a minimal to a saturating value. This is strong evidence that the short-range mechanical properties of activated muscle result from stretching myosin cross-bridges that are attached between the thick and thin filaments. Relaxed intact muscles also exhibit short-range mechanical properties but the molecular mechanisms underlying this behavior are less clear. This chapter summarizes some of the interesting features of short-range mechanical properties in different types of muscle preparation, describes some of the likely underlying mechanisms and discusses the potential physiological significance of the behavior. PMID:20824529

  15. 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.

  16. First-principles study of atomic ordering in fcc Ni-Cr alloys

    NASA Astrophysics Data System (ADS)

    Rahaman, Moshiour; Johansson, B.; Ruban, A. V.

    2014-02-01

    We investigate atomic ordering in fcc Ni-rich Ni-Cr alloys using first-principles techniques and statistical mechanics simulations based on the Ising Hamiltonian with effective cluster interactions computed by the screened generalized perturbation method (SGPM) and projector augmented wave (PAW) method. We demonstrate that effective chemical interactions in this system are quite sensitive to alloy composition and in fact to the specific configurational state. The chemical interactions for the high-temperature random state produce the atomic short-range order (SRO) with intensity maximum close to the (2/32/30) point of the reciprocal space in agreement with the previous first-principles investigation. A consistent with diffuse neutron scattering data maximum at the (11/20) position is obtained only when we take into consideration relatively small strain-induced interactions, which solves a long-standing inconsistency between theory and experiment in this system. The calculated transition temperature of order-disorder transition of Ni2Cr alloy, 880 K, is in good agreement with the experimental value of 863 K.

  17. 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

  18. Beyond Born-Mayer: Improved Models for Short-Range Repulsion in ab Initio Force Fields.

    PubMed

    Van Vleet, Mary J; Misquitta, Alston J; Stone, Anthony J; Schmidt, J R

    2016-08-01

    Short-range repulsion within intermolecular force fields is conventionally described by either Lennard-Jones (A/r(12)) or Born-Mayer (A exp(-Br)) forms. Despite their widespread use, these simple functional forms are often unable to describe the interaction energy accurately over a broad range of intermolecular distances, thus creating challenges in the development of ab initio force fields and potentially leading to decreased accuracy and transferability. Herein, we derive a novel short-range functional form based on a simple Slater-like model of overlapping atomic densities and an iterated stockholder atom (ISA) partitioning of the molecular electron density. We demonstrate that this Slater-ISA methodology yields a more accurate, transferable, and robust description of the short-range interactions at minimal additional computational cost compared to standard Lennard-Jones or Born-Mayer approaches. Finally, we show how this methodology can be adapted to yield the standard Born-Mayer functional form while still retaining many of the advantages of the Slater-ISA approach. PMID:27337546

  19. Beyond Born-Mayer: Improved models for short-range repulsion in ab initio force fields

    DOE PAGESBeta

    Van Vleet, Mary J.; Misquitta, Alston J.; Stone, Anthony J.; Schmidt, Jordan R.

    2016-06-23

    Short-range repulsion within inter-molecular force fields is conventionally described by either Lennard-Jones or Born-Mayer forms. Despite their widespread use, these simple functional forms are often unable to describe the interaction energy accurately over a broad range of inter-molecular distances, thus creating challenges in the development of ab initio force fields and potentially leading to decreased accuracy and transferability. Herein, we derive a novel short-range functional form based on a simple Slater-like model of overlapping atomic densities and an iterated stockholder atom (ISA) partitioning of the molecular electron density. We demonstrate that this Slater-ISA methodology yields a more accurate, transferable, andmore » robust description of the short-range interactions at minimal additional computational cost compared to standard Lennard-Jones or Born-Mayer approaches. Lastly, we show how this methodology can be adapted to yield the standard Born-Mayer functional form while still retaining many of the advantages of the Slater-ISA approach.« less

  20. RF propagation in short-range sensor communications

    NASA Astrophysics Data System (ADS)

    Dapper, Mark; Wells, Jeffrey S.; Schwallie, Tony; Huon, Leak

    2003-09-01

    Short-range RF propagation models with antenna elements placed at or near the earth's surface often fail to accurately predict path loss. Adequate mathematical models can be developed and validated to ensure deployed communication systems maintain link closure. Specifically, Unattended Ground Sensor (UGS) systems are deployed to be physically undetected, that is, the units are frequently buried with the antenna extended above earth's surface. This paper reviews the physical effects that determine propagation loss and synthesizes a mathematical model to predict this loss. These predictions are compared to real world propagation measurements in both open fields and in dense foliage for ranges up to 500m.

  1. 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.

  2. 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

  3. 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.

  4. Predictability of short-range forecasting: a multimodel approach

    NASA Astrophysics Data System (ADS)

    García-Moya, Jose-Antonio; Callado, Alfons; Escribà, Pau; Santos, Carlos; Santos-Muñoz, Daniel; Simarro, Juan

    2011-05-01

    Numerical weather prediction (NWP) models (including mesoscale) have limitations when it comes to dealing with severe weather events because extreme weather is highly unpredictable, even in the short range. A probabilistic forecast based on an ensemble of slightly different model runs may help to address this issue. Among other ensemble techniques, Multimodel ensemble prediction systems (EPSs) are proving to be useful for adding probabilistic value to mesoscale deterministic models. A Multimodel Short Range Ensemble Prediction System (SREPS) focused on forecasting the weather up to 72 h has been developed at the Spanish Meteorological Service (AEMET). The system uses five different limited area models (LAMs), namely HIRLAM (HIRLAM Consortium), HRM (DWD), the UM (UKMO), MM5 (PSU/NCAR) and COSMO (COSMO Consortium). These models run with initial and boundary conditions provided by five different global deterministic models, namely IFS (ECMWF), UM (UKMO), GME (DWD), GFS (NCEP) and CMC (MSC). AEMET-SREPS (AE) validation on the large-scale flow, using ECMWF analysis, shows a consistent and slightly underdispersive system. For surface parameters, the system shows high skill forecasting binary events. 24-h precipitation probabilistic forecasts are verified using an up-scaling grid of observations from European high-resolution precipitation networks, and compared with ECMWF-EPS (EC).

  5. 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.

  6. Effect of the short-range interaction on critical phenomena in elastic interaction systems

    NASA Astrophysics Data System (ADS)

    Nishino, Masamichi; Miyashita, Seiji

    2013-07-01

    The elastic interaction, induced by the lattice distortion due to the difference of the molecular size, causes an effective long-range interaction. In spin-crossover (SC) compounds, local bistable states, i.e., high-spin and low-spin states, have different molecular sizes, and the elastic interaction is important. In bipartite lattices, e.g., the square lattice, the ground state can be two types of phases: ferromagneticlike and antiferromagneticlike phases. In systems like SC compounds, the former phase consists of all small or large molecules, and the latter phase has the configuration of alternating small and large molecules. In fact, both cases are observed in SC systems. In this paper we have studied the effect of the short-range interaction in the elastic system on the properties of those order-disorder phase transitions. We have obtained a phase diagram in the coordinates of the temperature and the strength of the short-range interaction, including the metastable structures. We show that effects of the short-range interaction are essentially different for ferromagneticlike and antiferromagneticlike phase transitions. In the ferromagneticlike transition, the long-range interaction of elasticity is relevant, and the system exhibits a phase transition in the mean-filed universality class. In this case, the long-range interaction strongly enhances the ferromagneticlike order, and it works cooperatively with the short-range interaction. In contrast, in the antiferromagneticlike transition, the elastic interaction slightly enhances the antiferromagneticlike order, but essentially it does not contribute to the ordering, and the system shows a transition in the Ising universality class. We have found that in the border region between ferromagneticlike and antiferromagneticlike phases, the antiferromagneticlike phase has an advantage at finite temperatures. We discuss the critical properties of two-step SC transitions with comparison between the elastic interaction

  7. 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. PMID:19292545

  8. 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.

  9. Short range correlations in the weak decay of {Lambda} hypernuclei

    SciTech Connect

    Parreno, A.; Ramos, A.; Oset, E.

    1995-05-01

    The differences found in the relativistic and nonrelativistic methods used in the literature to account for short range nuclear correlations in the decay of {Lambda} hypernuclei are analyzed. By means of a schematic microscopic model for the origin of correlations, the appropriate method to include them in nuclear processes is derived and is found to be the same one used in the nonrelativistic approach. The differences do not stem from relativistic effects but from the improper implementation of the correlations in the relativistic approach, which leads to several pathologies as shown in the paper. General formulas are given to evaluate the nonmesonic decay width of finite hypernuclei and results are obtained for {sub {Lambda}}{sup 5}He and {sub {Lambda}}{sup 12}C.

  10. Fluctuating arrivals of short-range acoustic data.

    PubMed

    Park, Cheolsoo; Seong, Woojae; Gerstoft, Peter; Hodgkiss, William S

    2011-01-01

    Geoacoustic inversion using fluctuating signal observations can be challenging. The origin of these fluctuations needs to be understood so the signals can be used appropriately. A set of experiments [Tang et al., Oceanogr. 20(4), 156-167 (2007)] was carried out in shallow water near the New Jersey shelf break in summer 2006. Significant fluctuations in the direct path and surface-reflected arrivals of short-range chirp transmissions (1.1-2.9 kHz) were observed on a vertical line array. This paper explains the origin of these signal fluctuations through analysis of the arrival amplitudes. It is shown that the strong thermocline combined with an oscillating source motion due to ocean surface waves results in the signal fluctuations. PMID:21302991

  11. 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.

  12. Overlap populations, bond orders and valences for 'fuzzy' atoms

    NASA Astrophysics Data System (ADS)

    Mayer, I.; Salvador, P.

    2004-01-01

    Proper definitions are proposed to calculate interatomic overlap populations, bond order (multiplicity) indices and actual atomic valences from the results of ab initio quantum chemical calculations, in terms of 'fuzzy' atoms, i.e., such divisions of the three-dimensional physical space into atomic regions in which the regions assigned to the individual atoms have no sharp boundaries but exhibit a continuous transition from one to another. The results of test calculations are in agreement with the classical chemical notions, exhibit unexpectedly small basis sensitivity and do not depend too much on the selection of the weight function defining the actual division of the space into 'fuzzy' atomic regions. The scheme is applicable on both SCF and correlated levels of theory. A free program is available.

  13. 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

  14. Coexistence of long-range antiferromagnetism and short-range inhomogeneous superstructures in an insulating YBCO compound.

    SciTech Connect

    Islam, Z.; Liu, X.; Sinha, S. K.; Srajer, G.; Veal, B. W.; X-Ray Science Division; Univ. of Illinois

    2006-01-01

    Numerous experiments indicate that high-T{sub c} cuprate superconductors are intrinsically inhomogeneous even in their superconducting state. These inhomogeneities appear to have various length scales ranging from a nanometer to tens of nanometers, associated with, for example, atomic-scale electronic disorder as in BSCCO and lattice modulations as in the yttrium-barium-copper oxide (YBa{sub 2}Cu{sub 3}O{sub 6+x}, YBCO) superconductors. As a parent Mott insulator is doped with charge carriers, the long-range antiferromagnetic (AF) state is destroyed, and superconducting ground state emerges above a certain critical doping level. Although the presence of inhomogeneities have been observed in the superconducting part of the phase diagram, it is not clear if the parent insulating compound itself is intrinsically inhomogeneous. In this work, we present unambiguous x-ray scattering results suggesting the coexistence of short-range-ordered incommensurate lattice modulations and long-range ordered AF phase in a high-quality single crystal of YBCO insulator (x = 0.14, T{sub N} {approx} 405K; tetragonal). Nonresonant magnetic (7.848 keV) and high-energy (36 keV) diffuse x-ray scattering techniques were used on the XOR 4-ID-D beamline to determine the long-range AF order and to search for short-range ordering in a single-crystal sample of YBCO. For the chosen composition, YBCO is a Mott insulator deep within the AF part of the phase diagram. A tandem analyzer-polarizer setup was employed for the polarization analysis in the magnetic scattering part of the work. Figure 1 shows H-scans for different values of K collected far away from Bragg points. Strong asymmetric peaks characterized by a single wavevector ({approx}0.1, 0, 0) appear on either side of Brillouin zone centers (integer H values). When H and K are of mixed parity, satellites are strong near odd integer H and become weak for same parity. Correlation lengths of the modulations in the Cu-O basal plane are only a few

  15. 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.

  16. 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.

  17. 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.

  18. Bosonic short-range entangled states beyond group cohomology classification

    NASA Astrophysics Data System (ADS)

    Xu, Cenke; You, Yi-Zhuang

    2015-02-01

    We explore and construct a class of bosonic short-range entangled (BSRE) states in all 4 k +2 spatial dimensions, which are higher dimensional generalizations of the well-known Kitaev's E8 state in 2 d [Ann. Phys. (N.Y.) 321, 2 (2006), 10.1016/j.aop.2005.10.005; http://online.kitp.ucsb.edu/online/topomat11/kitaev]. These BSRE states share the following properties: (1) their bulk is fully gapped and nondegenerate; (2) their (4 k +1 )d boundary is described by a "self-dual" rank-2 k antisymmetric tensor gauge field, and it is guaranteed to be gapless without assuming any symmetry; (3) their (4 k +1 )d boundary has intrinsic gravitational anomaly once coupled to the gravitational field; (4) their bulk is described by an effective Chern-Simons field theory with rank-(2 k +1 ) antisymmetric tensor fields, whose KI J matrix is identical to that of the E8 state in 2 d ; (5) the existence of these BSRE states leads to various bosonic symmetry protected topological (BSPT) states as their descendants in other dimensions; (6) these BSRE states can be constructed by confining fermionic degrees of freedom from eight copies of (4 k +2 )d SRE states with fermionic 2 k -branes ; (7) after compactifying the (4 k +2 )d BSRE state on a closed 4 k dimensional manifold, depending on the topology of the compact 4 k manifold, the system could reduce to nontrivial 2 d BSRE states.

  19. Hybrid gesture recognition system for short-range use

    NASA Astrophysics Data System (ADS)

    Minagawa, Akihiro; Fan, Wei; Katsuyama, Yutaka; Takebe, Hiroaki; Ozawa, Noriaki; Hotta, Yoshinobu; Sun, Jun

    2012-03-01

    In recent years, various gesture recognition systems have been studied for use in television and video games[1]. In such systems, motion areas ranging from 1 to 3 meters deep have been evaluated[2]. However, with the burgeoning popularity of small mobile displays, gesture recognition systems capable of operating at much shorter ranges have become necessary. The problems related to such systems are exacerbated by the fact that the camera's field of view is unknown to the user during operation, which imposes several restrictions on his/her actions. To overcome the restrictions generated from such mobile camera devices, and to create a more flexible gesture recognition interface, we propose a hybrid hand gesture system, in which two types of gesture recognition modules are prepared and with which the most appropriate recognition module is selected by a dedicated switching module. The two recognition modules of this system are shape analysis using a boosting approach (detection-based approach)[3] and motion analysis using image frame differences (motion-based approach)(for example, see[4]). We evaluated this system using sample users and classified the resulting errors into three categories: errors that depend on the recognition module, errors caused by incorrect module identification, and errors resulting from user actions. In this paper, we show the results of our investigations and explain the problems related to short-range gesture recognition systems.

  20. In-medium short-range dynamics of nucleons: Recent theoretical and experimental advances

    NASA Astrophysics Data System (ADS)

    Atti, Claudio Ciofi degli

    2015-08-01

    The investigation of in-medium short-range dynamics of nucleons, usually referred to as the study of short-range correlations (SRCs), is a key issue in nuclear and hadronic physics. As a matter of fact, even in the simplified assumption that the nucleus could be described as a system of protons and neutrons interacting via effective nucleon-nucleon (NN) interactions, several non trivial problems arise concerning the description of in-medium (NN short-range dynamics, namely: (i) the behavior of the NN interaction at short inter-nucleon distances in medium cannot be uniquely constrained by the experimental NN scattering phase shifts due to off-shell effects; (ii) by rigorous renormalization group (RG) techniques entire families of phase equivalent interactions differing in the short-range part can be derived; (iii) the in-medium NN interaction may be, in principle, different from the free one; (iv) when the short inter-nucleon separation is of the order of the nucleon size, the question arises of possible effects from quark and gluon degrees of freedom. For more than fifty years, experimental evidence of SRCs has been searched by means of various kinds of nuclear reactions, without however convincing results, mainly because the effects of SRCs arise from non observable quantities, like, e.g., the momentum distributions, and have been extracted from observable cross sections where short- and long-range effects, effects from nucleonic and non nucleonic degrees of freedom, and effects from final state interaction, could not be unambiguously separated out. Recent years, however, were witness of new progress in the field: from one side, theoretical and computational progress has allowed one to solve ab initio the many-nucleon non relativistic Schrödinger equation in terms of realistic NN interactions, obtaining realistic microscopic wave functions, unless the case of parametrized wave functions used frequently in the past, moreover the development of advanced treatments

  1. Spontaneous atomic ordering in MOVPE grown gallium arsenide antimonide

    NASA Astrophysics Data System (ADS)

    Jiang, Weiyang

    Spontaneous atomic ordering of semiconductor alloys is of great practical and fundamental interest. Atomic ordering of III-V alloys such as InGaP has been extensively studied experimentally and theoretically. In this thesis, we investigate a little-studied, atomic-ordering phenomenon, the so-called CuAu structure in the III-V material GaAsSb, grown by the technique of metalorganic vapor-phase epitaxy (MOVPE). Despite being first observed in 1986 in this material, there is as yet no detailed microscopic model for its formation mechanism. A key part of the thesis involves the study of surfactant effects on the ordering process in GaAsSb. Surfactants are elements which modify the growth surface without incorporation in the bulk. Nevertheless, they influence the incorporation of the bulk elements. We first explored the surfactant behavior of Bi on GaAs in order to understand how Bi incorporates at the surface and in the bulk in a related III-V material. For GaAs (001), Bi surface layers are stable at temperatures below 500°C but rapidly desorb at temperatures of 550°C and higher. Bi coverages of over 1 ML induce the formation of Bi islands, whose sizes increase with increasing Bi exposure. Bulk incorporation of Bi remains essentially zero at typical MOVPE growth temperatures. In the case of GaAsSb alloys, Bi surfactant was found to induce CuAu ordering, with no measurable Bi incorporation in the bulk. High resolution TEM was used to study the detailed microstructural features for ordered and disordered samples. The domain sizes of the ordered regions are from 5 nm to 20 nm under all growth conditions. In contrast to orderings in other alloys such as InGaP, CuAu ordering had no observable effect on the bandgap. CuAu ordering in GaAsSb was studied in a function of growth conditions, including Bi surfactant concentration, growth temperature, growth rate, and substrate miscut. All of these experiments confirm that bulk CuAu ordering is a surface driven, rather than bulk

  2. Detecting magnetic ordering with atomic size electron probes

    DOE PAGESBeta

    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 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

  3. Critical thickness of atomically ordered III-V alloys

    SciTech Connect

    France, R. M.; McMahon, W. E.; Guthrey, H. L.

    2015-10-12

    The critical thickness model is modified with a general boundary energy that describes the change in bulk energy as a dislocation regularly alters the atomic structure of an ordered material. The model is evaluated for dislocations gliding through CuPt-ordered GaInP and GaInAs, where the boundary energy is negative and the boundary is stable. With ordering present, the critical thickness is significantly lowered and remains finite as the mismatch strain approaches zero. The reduction in critical thickness is most significant when the order parameter is greatest and the amount of misfit energy is low. The modified model is experimentally validated for low-misfit GaInP epilayers with varying order parameters using in situ wafer curvature and ex situ cathodoluminescence. With strong ordering, relaxation begins at a lower thickness and occurs at a greater rate, which is consistent with a lower critical thickness and increased glide force. Thus, atomic ordering is an important consideration for the stability of lattice-mismatched devices.

  4. Experimental First Order Pairing Phase Transition in Atomic Nuclei

    NASA Astrophysics Data System (ADS)

    Moretto, L. G.; Larsen, A. C.; Giacoppo, F.; Guttormsen, M.; Siem, S.

    2015-02-01

    The natural log of experimental nuclear level densities at low energy is linear with energy. This can be interpreted in terms of a nearly 1st order phase transition from a superfluid to an ideal gas of quasi particles. The transition temperature coincides with the BCS critical temperature and yields gap parameters in good agreement with the values extracted from even- odd mass differences from rotational states. This converging evidence supports the relevance of the BCS theory to atomic nuclei.

  5. Laser-induced short-range disorder in aluminum revealed by ultrafast electron diffuse scattering

    SciTech Connect

    Zhu, Pengfei; Chen, Jie; Li, Runze; Chen, Long; Cao, Jianming; Sheng, Zhengming; Zhang, Jie

    2013-12-02

    We report ultrafast electron diffuse scattering intensity (DSI) measurement in order to study the structural response of aluminum to femtosecond laser excitation. In this measurement, the evolutions of DSI and Bragg peak intensities after the laser excitation are measured and compared in the time domain. Their differences suggest that two kinds of lattice disorder, short-range and long-range, are triggered simultaneously. The former, induced by electron excitation, arises and decays with a faster rate than the latter which is subject to lattice heating. The results presented show that the time-resolved DSI measurements provide complementary insights to the ultrafast diffraction measurements.

  6. Effect of the short-range interaction on low-energy collisions of ultracold dipoles

    NASA Astrophysics Data System (ADS)

    Zhang, Peng; Jie, Jianwen

    2014-12-01

    We consider the low-energy scattering of two ultracold polarized dipoles with both a short-range interaction (SRI) and a weak dipole-dipole interaction (DDI), which is far away from shape resonances. In previous analytical studies, the scattering amplitude in this system was often calculated via the first-order Born approximation (FBA). Our results show that significant derivations from this approximation can arise in some cases. In these cases, the SRI can significantly modify the interdipole scattering amplitudes even if the scattering amplitudes for the SRI alone are much smaller than the dipolar length of the DDI. We further obtain approximate analytical expressions for these interdipole scattering amplitudes.

  7. The short range of the electronic promoter effect of potassium

    NASA Astrophysics Data System (ADS)

    Markert, K.; Wandelt, K.

    1985-08-01

    Photoemission of Adsorbed Xenon atoms (PAX) as a local work function probe is used to investigate the range of the electronic promoter effect of potassium submonolayers on a Ru(001) surface. Three Xe states on these bimetallic K/Ru surfaces are clearly distinguishable by their 5p photoemission and are associated with Xe probe atoms at basically unmodified Ru sites, at "mixed" K.Ru sites next to K ions, and on top of potassium, respectively. From the relative intensities of these three states as well as from their 5p electron binding energies as a function of potassium coverage it is concluded that the radius of the "sphere" of modified charge density around one K ion is ˜ 6 Å.

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

    PubMed

    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. PMID:25353419

  9. Roughness of undoped graphene and its short-range induced gauge field

    NASA Astrophysics Data System (ADS)

    Abedpour, N.; Neek-Amal, M.; Asgari, Reza; Shahbazi, F.; Nafari, N.; Tabar, M. Reza Rahimi

    2007-11-01

    We present both numerical and analytical studies of graphene roughness with a crystal structure including 500×500 atoms. The roughness can effectively result in a random gauge field and has important consequences for its electronic structure. Our results show that its height fluctuations in small scales have a scaling behavior with a temperature dependent roughness exponent in the interval of 0.6<χ<0.7 . The correlation function of height fluctuations depends on temperature with a characteristic length scale of ≈90Å (at room temperature). We show that the correlation function of the induced gauge field has a short-range nature with a correlation length of about ≃2-3Å . We also treat the problem analytically by using the Martin-Siggia-Rose method. The renormalization group flows did not yield any delocalized-localized transition arising from the graphene roughness. Our results are in good agreement with recent experimental observations.

  10. String order via Floquet interactions in atomic systems

    NASA Astrophysics Data System (ADS)

    Lee, Tony E.; Joglekar, Yogesh N.; Richerme, Philip

    2016-08-01

    We study the transverse-field Ising model with interactions that are modulated in time. In a rotating frame, the system is described by a time-independent Hamiltonian with many-body interactions, similar to the cluster Hamiltonians of measurement-based quantum computing. In one dimension, there is a three-body interaction, which leads to string order instead of conventional magnetic order. We show that the string order is robust to power-law interactions that decay with the cube of distance. In two and three dimensions, there are five- and seven-body interactions. We discuss adiabatic preparation of the ground state as well as experimental implementation with trapped ions, Rydberg atoms, and polar molecules.

  11. Short-range magnetic correlations and spin dynamics in the paramagnetic regime of (Mn,Fe)2(P,Si)

    NASA Astrophysics Data System (ADS)

    Miao, X. F.; Caron, L.; Cedervall, J.; Gubbens, P. C. M.; Dalmas de Réotier, P.; Yaouanc, A.; Qian, F.; Wildes, A. R.; Luetkens, H.; Amato, A.; van Dijk, N. H.; Brück, E.

    2016-07-01

    The spatial and temporal correlations of magnetic moments in the paramagnetic regime of (Mn,Fe ) 2(P ,Si ) have been investigated by means of polarized neutron diffraction and muon-spin relaxation techniques. Short-range magnetic correlations are present at temperatures far above the ferromagnetic transition temperature (TC). This leads to deviations of paramagnetic susceptibility from Curie-Weiss behavior. These short-range magnetic correlations extend in space, slow down with decreasing temperature, and finally develop into long-range magnetic order at TC.

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

    PubMed

    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

  13. 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.

  14. 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

  15. Picosecond short-range disordering in isochorically heated aluminum at solid density.

    PubMed

    Mancić, A; Lévy, A; Harmand, M; Nakatsutsumi, M; Antici, P; Audebert, P; Combis, P; Fourmaux, S; Mazevet, S; Peyrusse, O; Recoules, V; Renaudin, P; Robiche, J; Dorchies, F; Fuchs, J

    2010-01-22

    Using ultrafast x-ray probing, we experimentally observed a progressive loss of ordering within solid-density aluminum as the temperature raises from 300 K to >10{4} K. The Al sample was isochorically heated by a short ( approximately ps), laser-accelerated proton beam and probed by a short broadband x-ray source around the Al K edge. The loss of short-range ordering is detected through the progressive smoothing of the time-resolved x-ray absorption near-edge spectroscopy (XANES) structure. The results are compared with two different theoretical models of warm dense matter and allow us to put an upper bound on the onset of ion lattice disorder within the heated solid-density medium of approximately 10 ps. PMID:20366651

  16. An approximate analytical method for short-range impulsive orbit rendezvous using relative Lambert solutions

    NASA Astrophysics Data System (ADS)

    Zhang, Gang; Zhou, Di; Mortari, Daniele

    2012-12-01

    A new approximate analytical method for the two-body impulsive orbit rendezvous problem with short range is presented. The classical analytical approach derives the initial relative velocity from the state transition matrix of linear relative motion equations. This paper proposes a different analytical approach based on the relative Lambert solutions. An approximate expression for the transfer time is obtained as a function of chaser's and target's semi-major axes difference. This results in first and second order estimates of the chaser's semi-major axis. Singularity points of rendezvous time for the classical and proposed new methods are both analyzed. As compared with the classical method, the new solution is simpler, more accurate, and has fewer singularity points. Moreover, the proposed method can be easily expanded to higher order solutions. A numerical example quantifies the accuracy gain for multiple-revolution cases.

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

    DOE PAGESBeta

    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 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

  18. 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.

  19. 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.

  20. Coarse-grained modeling of protein second osmotic virial coefficients: sterics and short-ranged attractions.

    PubMed

    Grünberger, Alexander; Lai, Pin-Kuang; Blanco, Marco A; Roberts, Christopher J

    2013-01-24

    A series of coarse-grained models, with different levels of structural resolution, were tested to calculate the steric contributions to protein osmotic second virial coefficients (B(22,S)) for proteins ranging from small single-domain molecules to large multidomain molecules, using the recently developed Mayer sampling method. B(22,S) was compared for different levels of coarse-graining: four-beads-per-amino-acid (4bAA), one-bead-per-amino-acid (1bAA), one-sphere-per-domain (1sD), and one-sphere-per-protein (1sP). Values for the 1bAA and 4bAA models were quantitatively indistinguishable for both spherical and nonspherical proteins, and the agreement with values from all-atom models improved with increasing protein size, making the CG approach attractive for large proteins of biotechnological interest. Interestingly, in the absence of detailed structural information, the hydrodynamic radius (R(h)) along with a simple 1sP approximation provided reasonably accurate values for B(22,S) for both globular and highly asymmetric protein structures, while other 1sP approximations gave poorer agreement; this helps to justify the currently empirical practice of estimating B(22,S) from R(h) for large proteins such as antibodies. The results also indicate that either 1bAA or 4bAA CG models may be good starting points for incorporating short-range attractions. Comparison of gD-crystallin B(22) values including both sterics and short-range attractions shows that 1bAA and 4bAA models give equivalent results when properly scaled to account for differences in the number of surface beads in the two CG descriptions. This provides a basis for future work that will also incorporate long-ranged electrostatic attractions and repulsions. PMID:23245189

  1. Short-range Cut-Off of the Summed-Up van der Waals Series

    NASA Astrophysics Data System (ADS)

    Patra, Abhirup; Perdew, John P.

    2015-03-01

    van der Waals interactions are important in typical van der Waals-bound systems such as noble-gas, hydrocarbon, alkali and alkaline-earth dimers. The summed-up van der Waals series works well and gives an accurate result at large separation between two atoms. But it has a strong singularity at short non-zero separation, where the two atoms touch. In this work we remove that singularity with a reasonable and physical choice of the cut-off distance. Only one fitting parameter has been introduced for the short-range cut off. The parameter in our model has been optimized for each system, and a system-averaged value has been used to get the final binding energy curves. When this correction is added to the binding energy curve from the semilocal density functional meta-GGA-MS2, we get vdW- corrected binding energy curve. These curves are compared with the results of other vdW-corrected methods such as PBE-D2 and vdW-DF2 .Binding energy curves are in reasonable agreement with those from experiment. These curves also predict reasonably good equilibrium bond length. Supported by NSF (DMR).

  2. 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.

  3. Short-Range Gravity Experiment Newton-IVh at millimeter scale

    NASA Astrophysics Data System (ADS)

    Sakuta, Tomomi; Hatori, Mirei; Kishi, Reiko; Murakami, Haruna; Ninomiya, Kazufumi; Nishio, Hironori; Saiba, Shuntaro; Murata, Jiro; Newton Collaboration

    2014-09-01

    A large extra dimensional model predicts deviations from the Newtonian gravity at short distances below millimeters. Present NEWTON project at Rikkyo University aims an experimental test to Newton's inverse-square law at the millimeter scale. In order to examine the gravitational force at short range scale around millimeter, we have developed a new apparatus NEWTON-IVh using a torsion pendulum with a pico-precision displacement sensor using digital image analysis system, which was originally developed for a high energy collider experiment at RHIC. We determine the gravitational force by measuring the twisting angle of the torsion pendulum when the gravitational sources are moved around the torsion pendulum. In this presentation, the development status and the results of the NEWTON-IVh experiment will be reported.

  4. Short-range quantum magnetism of ultracold fermions in an optical lattice.

    PubMed

    Greif, Daniel; Uehlinger, Thomas; Jotzu, Gregor; Tarruell, Leticia; Esslinger, Tilman

    2013-06-14

    Quantum magnetism originates from the exchange coupling between quantum mechanical spins. Here, we report on the observation of nearest-neighbor magnetic correlations emerging in the many-body state of a thermalized Fermi gas in an optical lattice. The key to obtaining short-range magnetic order is a local redistribution of entropy, which allows temperatures below the exchange energy for a subset of lattice bonds. When loading a repulsively interacting gas into either dimerized or anisotropic simple cubic configurations of a tunable-geometry lattice, we observe an excess of singlets as compared with triplets consisting of two opposite spins. For the anisotropic lattice, the transverse spin correlator reveals antiferromagnetic correlations along one spatial axis. Our work facilitates addressing open problems in quantum magnetism through the use of quantum simulation. PMID:23704375

  5. Ultrafast short-range disordering of femtosecond-laser-heated warm dense aluminum.

    PubMed

    Leguay, P M; Lévy, A; Chimier, B; Deneuville, F; Descamps, D; Fourment, C; Goyon, C; Hulin, S; Petit, S; Peyrusse, O; Santos, J J; Combis, P; Holst, B; Recoules, V; Renaudin, P; Videau, L; Dorchies, F

    2013-12-13

    We have probed, with time-resolved x-ray absorption near-edge spectroscopy (XANES), a femtosecond-laser-heated aluminum foil with fluences up to 1  J/cm2. The spectra reveal a loss of the short-range order in a few picoseconds. This time scale is compared with the electron-ion equilibration time, calculated with a two-temperature model. Hydrodynamic simulations shed light on complex features that affect the foil dynamics, including progressive density change from solid to liquid (∼10  ps). In this density range, quantum molecular dynamics simulations indicate that XANES is a relevant probe of the ionic temperature. PMID:24483671

  6. 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.

  7. 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.

  8. 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.

  9. Magnetic frustration, short-range correlations and the role of the paramagnetic Fermi surface of PdCrO2

    PubMed Central

    Billington, David; Ernsting, David; Millichamp, Thomas E.; Lester, Christopher; Dugdale, Stephen B.; Kersh, David; Duffy, Jonathan A.; Giblin, Sean R.; Taylor, Jonathan W.; Manuel, Pascal; Khalyavin, Dmitry D.; Takatsu, Hiroshi

    2015-01-01

    Frustrated interactions exist throughout nature, with examples ranging from protein folding through to frustrated magnetic interactions. Whilst magnetic frustration is observed in numerous electrically insulating systems, in metals it is a rare phenomenon. The interplay of itinerant conduction electrons mediating interactions between localised magnetic moments with strong spin-orbit coupling is likely fundamental to these systems. Therefore, knowledge of the precise shape and topology of the Fermi surface is important in any explanation of the magnetic behaviour. PdCrO2, a frustrated metallic magnet, offers the opportunity to examine the relationship between magnetic frustration, short-range magnetic order and Fermi surface topology. By mapping the short-range order in reciprocal space and experimentally determining the electronic structure, we have identified the dual role played by the Cr electrons in which the itinerant ones on the nested paramagnetic Fermi surface mediate the frustrated magnetic interactions between local moments. PMID:26206589

  10. Magnetic frustration, short-range correlations and the role of the paramagnetic Fermi surface of PdCrO2.

    PubMed

    Billington, David; Ernsting, David; Millichamp, Thomas E; Lester, Christopher; Dugdale, Stephen B; Kersh, David; Duffy, Jonathan A; Giblin, Sean R; Taylor, Jonathan W; Manuel, Pascal; Khalyavin, Dmitry D; Takatsu, Hiroshi

    2015-01-01

    Frustrated interactions exist throughout nature, with examples ranging from protein folding through to frustrated magnetic interactions. Whilst magnetic frustration is observed in numerous electrically insulating systems, in metals it is a rare phenomenon. The interplay of itinerant conduction electrons mediating interactions between localised magnetic moments with strong spin-orbit coupling is likely fundamental to these systems. Therefore, knowledge of the precise shape and topology of the Fermi surface is important in any explanation of the magnetic behaviour. PdCrO2, a frustrated metallic magnet, offers the opportunity to examine the relationship between magnetic frustration, short-range magnetic order and Fermi surface topology. By mapping the short-range order in reciprocal space and experimentally determining the electronic structure, we have identified the dual role played by the Cr electrons in which the itinerant ones on the nested paramagnetic Fermi surface mediate the frustrated magnetic interactions between local moments. PMID:26206589

  11. 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.

  12. 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

    2015-12-01

    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). PMID:26574913

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

    PubMed Central

    2016-01-01

    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 (PiquemalJ.-P.; J. Phys. Chem. A2003, 107, 1035326313624) 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 (ParkerT. M.; J. Chem. Phys.2014, 140, 09410624606352). 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. PMID:26413036

  14. 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.

  15. Paramagnetic short-range order in MnF 2 beyond the critical region

    NASA Astrophysics Data System (ADS)

    Hohlwein, Dietmar; Zeiske, Thomas

    2000-03-01

    Measurements of paramagnetic diffuse scattering in a single crystal of MnF 2 were done in complete ( h k 0) and ( h 0 l) planes at the Flat-cone diffractometer E2 of the Berlin reactor. The data have been evaluated with an extended molecular field theory up to a temperature of 170 K ( TN=67.4 K). Good agreement with the experiment could be achieved by introducing a renormalized temperature as parameter. This parameter describes the transition between the critical and the molecular field region.

  16. Short-range order and phase diagram of a three-dimensional granular superconductor

    SciTech Connect

    Fazio, R.; Giaquinta, G.

    1986-10-01

    The phase diagram of a three-dimensional granular superconductor is explored by calculation of the charge-charge correlation function in the Oguchi approximation. A charge-fluctuation--dominated regime is found, not previously accounted for into the literature. The relevance of phase and/or charge fluctuations is discussed.

  17. RDFTools: a software tool for quantifying short-range ordering in amorphous materials.

    PubMed

    Mitchell, D R G; Petersen, T C

    2012-02-01

    A software package for computing radial distribution functions and other pair correlation functions from electron diffraction patterns of disordered solids is presented. The package, called RDFTools, is freely available via the internet and allows rapid in situ measurements of such quantities as interatomic nearest neighbor distances, average bond angles and coordination numbers. The software runs under DigitalMicrograph™ (Pleasanton, California, Gatan), a very widely used program in transmission electron microscopy. All implemented algorithms have been designed to compute diffraction integrals and data-processing averages in a fast and efficient manner to enable quick processing of publication ready, quantitative pair distribution function information. In the development of RDFTools, significant attention was paid to provide a robust and intuitive user-interface for deriving reliable semiquantitative information. For example, RDFTools enables accurate pair separation distances to be revealed upon immediate interrogation at the microscope; even for potentially thick specimens and/or regions of unknown elemental composition. PMID:21761497

  18. 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.

  19. Short-range effect at the semi-coherent metal/its native oxide interface

    NASA Astrophysics Data System (ADS)

    Yin, Deqiang; Wu, Mingxia; Cen, Wanglai; Li, Hongping; Yang, Yi; Fang, Hui

    2016-08-01

    Fundamentally understanding the variations of atomistic and electronic properties at the interface of metal/its native oxide systems plays a critical role in many important technological processes and applications, such as oxidization, corrosion, chemical catalysis, fuel reactions, and thin-film process. Here, we have adopted the representatively semi-coherent Cu2O(111)/Cu(100) interface and demonstrated, by first-principles calculations on energetic and electronic structures of a total 9 candidate interfacial models, that the preferred geometries (i.e., that having the largest adhesion energy) are those possess the shortest interfacial distance between O terminated Cu2O and substrate Cu. Using several analytic methods, we have thoroughly characterized the variation of electronic states from the interface to Cu2O constituent, and determined that the large degree of charge accumulation at the interface is at the expense of depletion of charge in both substrate Cu and neighboring Cu (Cu2O) to the interfacial O atoms. Strikingly, in Cu2O the conducting states appear only in monolayer proximal to Cu2O/Cu interface, as well, the second layer remains in semi-conducting state as its bulk, indicating a short-range effect in electronic properties induced by Cu substrate. The theoretical calculations provide insight into the complex electronic properties of the functional Cu2O/Cu interface, which was quite difficult to observe by experimental methods alone. The unique properties are of practical importance for further understanding and improvement of such a promising class of metal/native oxide interface at the atomic scale.

  20. Study of short-range motion of atomic hydrogen in amorphous silicon by neutron reflectometry

    SciTech Connect

    Dozier, W.D.; Herwig, K.W.; Shinar, R.; Jia, H.; Shinar, J.

    1992-05-01

    Preliminary results of neutron reflectometry (NR) measurements on rf sputter-deposited a-Si:H/a-Si:D bilayers indicate that this technique may be used to monitor H and D motions over distances of {approx} 10 to 200 {Angstrom} with a nominal resolution of 5--10 {Angstrom}. In studying rf sputter-deposited thin films containing a high density of microvoids annealed at 270 C, we found that the hydrogen diffused a distance of only {approx} 100 {Angstrom}. Further annealing at 270 and 280 C produced no additional motion. This result is consistent with a model of this system in which the hydrogen is trapped in microvoids after moving a relatively short distance.

  1. 77 FR 36302 - Yankee Atomic Electric Company, Yankee Nuclear Power Station, Confirmatory Order Modifying...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-18

    ... entities participating under 10 CFR 2.315(c), must be filed in accordance with the NRC E-Filing rule (72 FR... COMMISSION Yankee Atomic Electric Company, Yankee Nuclear Power Station, Confirmatory Order Modifying License... (NRC or the Commission) issued a Confirmatory Order to Yankee Atomic Electric Company (Yankee Atomic...

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

    DOE PAGESBeta

    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 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

  3. A model study of short range correlations with a multi determinantal method

    NASA Astrophysics Data System (ADS)

    Puddu, Giovanni

    2006-11-01

    Using a simple model of fermions interacting with a strong short range repulsive potential, we discuss how short range correlations can be described with a linear combination of Slater determinants using variational methods. The many-body wavefunction obtained in this way is used to evaluate the two-particle correlation function which shows the typical depletion at distances between particles comparable with the range of the repulsive potential.

  4. The International Atomic Energy Agency and world nuclear order

    SciTech Connect

    Scheinman, L.

    1987-01-01

    In this book, the author assesses the structure and functions of the International Atomic Energy Agency (IAEA), identifies key issues confronting the agency today, and offers recommendations for dealing with the challenges it faces. The author traces the background and origins of the IAEA from the Baruch Plan, through Atoms for Peace, to negotiations resulting in the establishment of the agency. He also describes special structural characteristics of the agency and their evolution - in particular, the board of governors, the general conference, and the secretariat.

  5. Investigating short-range magnetism in strongly correlated materials via magnetic pair distribution function analysis and ab initio theory

    NASA Astrophysics Data System (ADS)

    Frandsen, Benjamin; Page, Katharine; Brunelli, Michela; Staunton, Julie; Billinge, Simon

    Short-range magnetic correlations are known to exist in a variety of strongly correlated electron systems, but our understanding of the role they play is challenged by the difficulty of experimentally probing such correlations. Magnetic pair distribution function (mPDF) analysis is a newly developed neutron total scattering method that can reveal short-range magnetic correlations directly in real space, and may therefore help ameliorate this difficulty. We present temperature-dependent mPDF measurements of the short-range magnetic correlations in the paramagnetic phase of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. We observe significant correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range-ordered spin arrangement. With no free parameters, ab initio calculations using the self-interaction-corrected local spin density approximation of density functional theory quantitatively reproduce the magnetic correlations to a high degree of accuracy. These results yield valuable insight into the magnetic exchange in MnO and showcase the utility of the mPDF technique for studying magnetic properties of strongly correlated electron systems.

  6. Dynamic Equilibria of Short-Range Electrostatic Interactions at Molecular Interfaces of Protein-DNA Complexes.

    PubMed

    Chen, Chuanying; Esadze, Alexandre; Zandarashvili, Levani; Nguyen, Dan; Montgomery Pettitt, B; Iwahara, Junji

    2015-07-16

    Intermolecular ion pairs (salt bridges) are crucial for protein-DNA association. For two protein-DNA complexes, we demonstrate that the ion pairs of protein side-chain NH3+ and DNA phosphate groups undergo dynamic transitions between distinct states in which the charged moieties are either in direct contact or separated by water. While the crystal structures of the complexes show only the solvent-separated ion pair (SIP) state for some interfacial lysine side chains, our NMR hydrogen-bond scalar coupling data clearly indicate the presence of the contact ion pair (CIP) state for the same residues. The 0.6-μs molecular dynamics (MD) simulations confirm dynamic transitions between the CIP and SIP states. This behavior is consistent with our NMR order parameters and scalar coupling data for the lysine side chains. Using the MD trajectories, we also analyze the free energies of the CIP-SIP equilibria. This work illustrates the dynamic nature of short-range electrostatic interactions in DNA recognition by proteins. PMID:26207171

  7. 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. PMID:19045766

  8. 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.

  9. 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. PMID:12880062

  10. Uncertainty analysis of hydrological ensemble forecasts in a distributed model utilising short-range rainfall prediction

    NASA Astrophysics Data System (ADS)

    Xuan, Y.; Cluckie, I. D.; Wang, Y.

    2009-03-01

    Advances in mesoscale numerical weather predication make it possible to provide rainfall forecasts along with many other data fields at increasingly higher spatial resolutions. It is currently possible to incorporate high-resolution NWPs directly into flood forecasting systems in order to obtain an extended lead time. It is recognised, however, that direct application of rainfall outputs from the NWP model can contribute considerable uncertainty to the final river flow forecasts as the uncertainties inherent in the NWP are propagated into hydrological domains and can also be magnified by the scaling process. As the ensemble weather forecast has become operationally available, it is of particular interest to the hydrologist to investigate both the potential and implication of ensemble rainfall inputs to the hydrological modelling systems in terms of uncertainty propagation. In this paper, we employ a distributed hydrological model to analyse the performance of the ensemble flow forecasts based on the ensemble rainfall inputs from a short-range high-resolution mesoscale weather model. The results show that: (1) The hydrological model driven by QPF can produce forecasts comparable with those from a raingauge-driven one; (2) The ensemble hydrological forecast is able to disseminate abundant information with regard to the nature of the weather system and the confidence of the forecast itself; and (3) the uncertainties as well as systematic biases are sometimes significant and, as such, extra effort needs to be made to improve the quality of such a system.

  11. Uncertainty analysis of hydrological ensemble forecasts in a distributed model utilising short-range rainfall prediction

    NASA Astrophysics Data System (ADS)

    Cluckie, I. D.; Xuan, Y.; Wang, Y.

    2006-10-01

    Advances in meso-scale numerical weather predication make it possible to provide rainfall forecasts along with many other data fields at increasingly higher spatial resolutions. It is currently possible to incorporate high-resolution NWPs directly into flood forecasting systems in order to obtain an extended lead time. It is recognised, however, that direct application of rainfall outputs from the NWP model can contribute considerable uncertainty to the final river flow forecasts as the uncertainties inherent in the NWP are propagated into hydrological domains and can also be magnified by the scaling process. As the ensemble weather forecast has become operationally available, it is of particular interest to the hydrologist to investigate both the potential and implication of ensemble rainfall inputs to the hydrological modelling systems in terms of uncertainty propagation. In this paper, we employ a distributed hydrological model to analyse the performance of the ensemble flow forecasts based on the ensemble rainfall inputs from a short-range high-resolution mesoscale weather model. The results show that: (1) The hydrological model driven by QPF can produce forecasts comparable with those from a raingauge-driven one; (2) The ensemble hydrological forecast is able to disseminate abundant information with regard to the nature of the weather system and the confidence of the forecast itself; and (3) the uncertainties as well as systematic biases are sometimes significant and, as such, extra effort needs to be made to improve the quality of such a system.

  12. Dynamic Equilibria of Short-Range Electrostatic Interactions at Molecular Interfaces of Protein–DNA Complexes

    PubMed Central

    2015-01-01

    Intermolecular ion pairs (salt bridges) are crucial for protein–DNA association. For two protein–DNA complexes, we demonstrate that the ion pairs of protein side-chain NH3+ and DNA phosphate groups undergo dynamic transitions between distinct states in which the charged moieties are either in direct contact or separated by water. While the crystal structures of the complexes show only the solvent-separated ion pair (SIP) state for some interfacial lysine side chains, our NMR hydrogen-bond scalar coupling data clearly indicate the presence of the contact ion pair (CIP) state for the same residues. The 0.6-μs molecular dynamics (MD) simulations confirm dynamic transitions between the CIP and SIP states. This behavior is consistent with our NMR order parameters and scalar coupling data for the lysine side chains. Using the MD trajectories, we also analyze the free energies of the CIP–SIP equilibria. This work illustrates the dynamic nature of short-range electrostatic interactions in DNA recognition by proteins. PMID:26207171

  13. 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.

  14. Demonstration of micro-projection enabled short-range communication system for 5G.

    PubMed

    Chou, Hsi-Hsir; Tsai, Cheng-Yu

    2016-06-13

    A liquid crystal on silicon (LCoS) based polarization modulated image (PMI) system architecture using red-, green- and blue-based light-emitting diodes (LEDs), which offers simultaneous micro-projection and high-speed data transmission at nearly a gigabit, serving as an alternative short-range communication (SRC) approach for personal communication device (PCD) application in 5G, is proposed and experimentally demonstrated. In order to make the proposed system architecture transparent to the future possible wireless data modulation format, baseband modulation schemes such as multilevel pulse amplitude modulation (M-PAM), M-ary phase shift keying modulation (M-PSK) and M-ary quadrature amplitude modulation (M-QAM) which can be further employed by more advanced multicarrier modulation schemes (such as DMT, OFDM and CAP) were used to investigate the highest possible data transmission rate of the proposed system architecture. The results demonstrated that an aggregative data transmission rate of 892 Mb/s and 900 Mb/s at a BER of 10^(-3) can be achieved by using 16-QAM baseband modulation scheme when data transmission were performed with and without micro-projection simultaneously. PMID:27410326

  15. 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.

  16. 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. PMID:27334191

  17. Roles of resonances and recollisions in strong-field atomic phenomena. II. High-order harmonic generation

    SciTech Connect

    Taieeb, Richard; Veniard, Valerie; Wassaf, Joseph; Maquet, Alfred

    2003-09-01

    The theoretical developments presented in a preceding companion paper by Wassaf et al. [Phys. Rev. A 67, 053405 (2003)], for simulating photoelectron spectra, are used to address several issues regarding the harmonic generation process. Both above-threshold Ionization (ATI) and high-order harmonic generation are observed when atoms are submitted to a laser field with intensity around I=10{sup 14} W cm{sup -2}. Here, we demonstrate that the resonances, together with multiple recollisions processes, which have been shown to be at the origin of enhancements of the magnitudes of ATI peaks in the high-energy range, can also play a determining role on the magnitudes of harmonic lines within the plateau. These findings have been obtained via a set of quantum and classical simulations for two classes of one-dimensional model potentials, i.e., either long range (Coulomb-like) or short range (with an exponentially decreasing tail). They are confirmed by following the time evolution of the emission rate of selected harmonics with the help of a (waveletlike) Gabor time-frequency analysis.

  18. Human motor control consequences of thixotropic changes in muscular short-range stiffness

    PubMed Central

    Axelson, H W; Hagbarth, K-E

    2001-01-01

    The primary aim of the present study was to explore whether in healthy subjects the muscle contractions required for unrestrained voluntary wrist dorsiflexions are adjusted in strength to thixotropy-dependent variations in the short-range stiffness encountered in measurements of passive torque resistance to imposed wrist dorsiflexions. After a period of rest, only the first movement in a series of passive wrist dorsiflexions of moderate amplitude exhibited clear signs of short-range stiffness in the torque response. During analogous types of voluntary movements, the extensor EMG during the first movement after rest showed a steep initial rise of activity, which apparently served to compensate for the short-range stiffness. The passive torque resistance to minute repetitive wrist dorsiflexions (within the range of short-range stiffness) was markedly reduced after various types of mechanical agitation. During analogous low-amplitude voluntary wrist dorsiflexions the extensor EMG signals were weaker after than before agitation. Mechanical agitation also led to enhancement of passive dorsiflexion movements induced by weak constant torque pulses. In an analogous way, the movement-generating capacity of weak voluntary extensor activations (as determined by EMG recordings) was greatly enhanced by mechanical agitation. The signals from a force transducer probe pressed against the wrist flexor tendons - during passive wrist dorsiflexions - revealed short-range stiffness responses which highly resembled those observed in the torque measurements, suggesting that the latter to a large extent emanated from the stretched, relaxed flexor muscles. During repetitive stereotyped voluntary wrist dorsiflexions, a close correspondence was observed between the degree of short-range stiffness as sensed by the wrist flexor tension transducer and the strength of the initial extensor activation required for movement generation. The results provide evidence that the central nervous system in

  19. Pseudorapidity dependence of short-range correlations from a multi-phase transport model

    NASA Astrophysics Data System (ADS)

    Mei-Juan, Wang; Gang, Chen; Guo-Liang, Ma; Yuan-Fang, Wu

    2016-03-01

    Using a multi-phase transport model (AMPT) that includes both initial partonic and hadronic interactions, we study neighboring bin multiplicity correlations as a function of pseudorapidity in Au+Au collisions at . It is observed that for Au+Au collisions, the short-range correlations of final particles have a trough at central pseudorapidity, while for AuAu collisions, the short-range correlations of final particles have a peak at central pseudorapidity. Our findings indicate that the pseudorapidity dependence of short-range correlations should contain some new physical information, and are not a simple result of the pseudorapidity distribution of final particles. The AMPT results with and without hadronic scattering are compared. It is found that hadron scattering can only increase the short-range correlations to some level, but is not responsible for the different correlation shapes for different energies. Further study shows that the different pseudorapidity dependence of short-range correlations are mainly due to partonic evolution and the following hadronization scheme. Supported by GBL31512, Major State Basic Research Devolopment Program of China (2014CB845402), NSFC (11475149, 11175232, 11375251, 11421505, 11221504)

  20. 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,

  1. Short-range ammunition--a possible anti-hijacking device.

    PubMed

    Smialek, J E; Spitz, W U

    1976-10-01

    Short-range ammunition was developed for use by law enforcement personnel in congested, enclosed areas and primarily as a hijacking deterrent in commercial airliners. This ammunition was expected to reduce the risk of injury to innocent bystanders and prevent damage to the aircraft walls. Experimentally, short-range ammunition is effective in its wounding capacity at close ranges, and it does not exit from the body. Due to the particular structure of the projectile, injuries due to ricochet are averted. At ranges of 6 ft (1.8 m), the risk of damage to the full thickness of an aircraft wall does exist. Short-range ammunition deserves serious consideration as an alternative to regular ammunition for use in specialized, close-quartered situations, such as hijacking. PMID:972314

  2. Bound States of Spinless Particles in a Short-Range Potential

    NASA Astrophysics Data System (ADS)

    Hassanabadi, Hassan; de Castro, Antonio Soares

    2015-04-01

    With a general mixing of vector and scalar couplings in a two-dimensional world, a short-range potential is used to explore certain features of the bound states of a spinless particle. Bound-state solutions are found in terms of the Gauss hypergeometric series when the potential parameters obey a certain constraint relation limiting the dosage of a vector coupling. The appearance of the Schiff-Snyder-Weinberg effect for a strong vector coupling and a short-range potential as well as its suppression by the addition of a scalar coupling is discussed.

  3. (De)localization and the mobility edges in a disordered double chain with long-range intrachain correlation and short-range interchain correlation

    NASA Astrophysics Data System (ADS)

    Zhao, Yi; Duan, Suqing; Zhang, Wei

    2012-06-01

    Correlation effects and phase transitions are central issues in current studies on disordered systems. In this paper, we study the electronic properties of a disordered double chain with long-range intrachain correlation and short-range interchain correlation. Based on detailed numerical calculations, finite size scaling analysis and empirical analytical calculations, we obtain a phase diagram containing rich physics due to the interplay among the disorder, short-range and long-range correlations. Besides the long-range correlation induced localization-delocalization transitions, we find both first-order and second-order quantum phase transitions on changing the short-range correlation. Interestingly, the localization may be suppressed by increasing the disorder strength in some parameter regime and the ‘anti-correlation’ leads to the most delocalized state. Our studies shine some light on the mechanism of the charge transport in DNA molecules, where both types of correlated disorders are present.

  4. Evaluation and verification of a short-range ensemble precipitation prediction system over Iberia

    NASA Astrophysics Data System (ADS)

    Martin, M. L..; Santos-Muñoz, D.; Valero, F.; Pascual, A.; Sebastian, L. I.

    2009-04-01

    The purpose of this study is the evaluation and verification of a Short-Range Ensemble Prediction System (SREPS) built with five different model physical process parameterization schemes and two different initial conditions from global models, allowing to construct several versions of the non-hydrostatic mesoscale MM5 model for a 1-month period of October 2006. From the SREPS, flow-dependent probabilistic forecasts are provided by means of predictive probability distributions over the Iberian Peninsula down to a 10-km grid spacing. In order to carry out the verification, 25 km grid of observational precipitation records over Spain from the Spanish Climatic Network has been used to evaluate the ensemble accuracy together with the mean model performance and forecast variability by means of comparisons between such records and the ensemble forecasts. This verification has been carried out upscaling the 10 km probabilistic forecast to the observational data grid. Temporal evolution of precipitation forecasts for both mean ensemble members and the ensemble mean is shown, illustrating the consistency of the SREPS. Such evolutions, also named spaghetti diagrams, summarize the SREPS information, showing the different isolines for each of the members as well as the ensemble mean. Additionally, the probabilistic meteogram of the spatial daily mean precipitation values shows the range of forecast values, providing discrete probability information in different quantile intervals. The epsgram shows different daily distributions, indicating the predictability of each day. Moreover, the Talagrand derived from the SREPS results shows underdispersion which indicates some bias behaviour. The ROC curve shows a very outstanding area, indicating potential usefulness of the forecasting system. Additionally, the reliability diagram also depicts a good ensemble system performance, illustrating in general good agreement between forecast probability and the mean observed frequency.

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

    PubMed

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

    2016-08-23

    Dynamic arrest transitions of colloidal suspensions containing nonspherical 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. Ultrasmall 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. 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. PMID:27466883

  6. Tuning short-range attractions in protein solutions: from attractive glasses to equilibrium clusters

    NASA Astrophysics Data System (ADS)

    Stradner, Anna; Thurston, George M.; Schurtenberger, Peter

    2005-08-01

    We report small-angle scattering experiments with two different types of model proteins, lysozyme and the eye lens protein γB-crystallin. We discuss the results in the context of recent suggestions that globular proteins possess a short-ranged attractive potential, and that simple models from colloid science could help to rationalize the best route for obtaining protein crystals and to interpret their complex phase diagrams. The short-range attraction leads to an extremely interesting phase behaviour with a liquid-gas coexistence curve that is metastable with respect to the liquid-solid (crystal) boundary and the occurrence of an attractive glass. We demonstrate that for γB-crystallin, the scattering data are indeed in good agreement with predictions for an interaction potential consisting of short-ranged attraction and hard sphere repulsion, and we also provide evidence of a dynamically arrested glass or gel phase at high concentrations. We also report on a systematic study of the effect of a weak screened Coulomb repulsion in highly concentrated lysozyme solutions. We demonstrate that combining short-range attraction and long-range repulsion results in the formation of small equilibrium clusters, and we discuss the concentration and temperature dependence of the cluster size in view of its analogy to micelle formation.

  7. Quantum correlation dynamics subjected to critical spin environment with short-range anisotropic interaction.

    PubMed

    Guo, J L; Zhang, X Z

    2016-01-01

    Short-range interaction among the spins can not only results in the rich phase diagram but also brings about fascinating phenomenon both in the contexts of quantum computing and information. In this paper, we investigate the quantum correlation of the system coupled to a surrounding environment with short-range anisotropic interaction. It is shown that the decay of quantum correlation of the central spins measured by pairwise entanglement and quantum discord can serve as a signature of quantum phase transition. In addition, we study the decoherence factor of the system when the environment is in the vicinity of the phase transition point. In the strong coupling regime, the decay of the decoherence factor exhibits Gaussian envelop in the time domain. However, in weak coupling limit, the quantum correlation of the system is robust against the disturbance of the magnetic field through optimal control of the anisotropic short-range interaction strength. Based on this, the effects of the short-range anisotropic interaction on the sudden transition from classical to quantum decoherence are also presented. PMID:27596050

  8. 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.

  9. 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.

  10. Quantum correlation dynamics subjected to critical spin environment with short-range anisotropic interaction

    PubMed Central

    Guo, J. L.; Zhang, X. Z.

    2016-01-01

    Short-range interaction among the spins can not only results in the rich phase diagram but also brings about fascinating phenomenon both in the contexts of quantum computing and information. In this paper, we investigate the quantum correlation of the system coupled to a surrounding environment with short-range anisotropic interaction. It is shown that the decay of quantum correlation of the central spins measured by pairwise entanglement and quantum discord can serve as a signature of quantum phase transition. In addition, we study the decoherence factor of the system when the environment is in the vicinity of the phase transition point. In the strong coupling regime, the decay of the decoherence factor exhibits Gaussian envelop in the time domain. However, in weak coupling limit, the quantum correlation of the system is robust against the disturbance of the magnetic field through optimal control of the anisotropic short-range interaction strength. Based on this, the effects of the short-range anisotropic interaction on the sudden transition from classical to quantum decoherence are also presented. PMID:27596050

  11. Computing The No-Escape Envelope Of A Short-Range Missile

    NASA Technical Reports Server (NTRS)

    Neuman, Frank

    1991-01-01

    Method for computing no-escape envelope of short-range air-to-air missile devised. Useful for analysis of both strategies for avoidance and strategies for attack. With modifications, also useful in analysis of control strategies for one-on-one air-to-air combat, or wherever multiple control strategies considered.

  12. Short-range correlations in nuclei with similarity renormalization group transformations

    NASA Astrophysics Data System (ADS)

    Neff, T.; Feldmeier, H.; Horiuchi, W.

    2015-08-01

    Background: Realistic nucleon-nucleon interactions induce short-range correlations in nuclei. To solve the many-body problem unitary transformations like the similarity renormalization group (SRG) are often used to soften the interactions. Purpose: Two-body densities can be used to illustrate how the SRG eliminates short-range correlations in the wave function. The short-range information can however be recovered by transforming the density operators. Method: The many-body problem is solved for 4He in the no core shell model (NCSM) with SRG transformed AV 8 ' and chiral N3LO interactions. The NCSM wave functions are used to calculate two-body densities with bare and SRG transformed density operators in two-body approximation. Results: The two-body momentum distributions for AV 8 ' and N3LO have similar high-momentum components up to relative momenta of about 2.5 fm-1 , dominated by tensor correlations, but differ in their behavior at higher relative momenta. The contributions of many-body correlations are small for pairs with vanishing pair momentum but not negligible for the momentum distributions integrated over all pair momenta. Many-body correlations are induced by the strong tensor force and lead to a reshuffling of pairs between different spin-isospin channels. Conclusions: When using the SRG it is essential to use transformed operators for observables sensitive to short-range physics. Back-to-back pairs with vanishing pair momentum are the best tool to study short-range correlations.

  13. Strong atomic ordering in Gd-doped GaN

    SciTech Connect

    Ishimaru, Manabu; Higashi, Kotaro; Hasegawa, Shigehiko; Asahi, Hajime; Sato, Kazuhisa; Konno, Toyohiko J.

    2012-09-03

    Gd-doped GaN (Ga{sub 1-x}Gd{sub x}N) thin films were grown on a GaN(001) template by radio frequency plasma-assisted molecular beam epitaxy and characterized by means of x-ray diffraction (XRD) and transmission electron microscopy (TEM). Three samples with a different Gd composition were prepared in this study: x = 0.02, 0.05, and 0.08. XRD and TEM results revealed that the low Gd concentration GaN possesses the wurtzite structure. On the other hand, it was found that an ordered phase with a quadruple-periodicity along the [001] direction in the wurtzite structure is formed throughout the film with x = 0.08. We proposed the atomistic model for the superlattice structure observed here.

  14. Phase-sensitive measurements of order parameters for ultracold atoms through two-particle interferometry.

    PubMed

    Kitagawa, Takuya; Aspect, Alain; Greiner, Markus; Demler, Eugene

    2011-03-18

    Nontrivial symmetry of order parameters is crucial in some of the most interesting quantum many-body states of ultracold atoms as well as condensed matter systems. Examples in cold atoms include p-wave Feshbach molecules and d-wave paired states of fermions that could be realized in optical lattices in the Hubbard regime. Identifying these states in experiments requires measurements of the relative phase of different components of the entangled pair wave function. We propose and discuss two schemes for such phase-sensitive measurements, based on two-particle interference revealed in atom-atom or atomic density correlations. Our schemes can also be used for relative phase measurements for nontrivial particle-hole order parameters, such as d-density wave order. PMID:21469872

  15. Short-range Ising spin glasses: the metastate interpretation of replica symmetry breaking.

    PubMed

    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 W(d-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)≠∫(0)(1)dxq(x), then the

  16. A nonlinear statistical ensemble model for short-range rainfall prediction

    NASA Astrophysics Data System (ADS)

    Jin, Long; Zhu, Jieshun; Huang, Ying; Zhao, Hua-sheng; Lin, Kai-ping; Jin, Jian

    2015-02-01

    Following the practice of the numerical weather ensemble prediction, a nonlinear statistical ensemble prediction model has been developed based on a neural network technique with a Particle Swarm Optimization (PSO) algorithm. The model is validated by short-range climate forecasts of monthly mean rainfall at 37 stations in Guangxi, China during the first rainy season (April, May, and June). Independent prediction results show that the Particle Swarm Optimization Neural Network ensemble prediction model is clearly better than the traditional linear statistical method, such as the multiple regression method and the stepwise regression method. It is also suggested that by applying multiple ensemble members with each member objectively determined by the PSO algorithm, the generalization capacity of the ensemble prediction model is enhanced, demonstrating a vast range of possibilities for operational short-range climate prediction.

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

    PubMed

    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

  18. Suppression of extreme orbital evolution in triple systems with short-range forces

    NASA Astrophysics Data System (ADS)

    Liu, Bin; Muñoz, Diego J.; Lai, Dong

    2015-02-01

    The Lidov-Kozai (LK) mechanism plays an important role in the secular evolution of many hierarchical triple systems. The standard LK mechanism consists of large-amplitude oscillations in eccentricity and inclination of a binary subject to the quadrupole potential from an outer perturber. Recent work has shown that when the octupole terms are included in the potential, the inner binary can reach more extreme eccentricities as well as undergo orientation flips. It is known that pericentre precessions due to short-range effects, such as General Relativity and tidal and rotational distortions, can limit the growth of eccentricity and even suppress standard (quadrupolar) LK oscillations, but their effect on the octupole-level LK mechanism has not been fully explored. In this paper, we systematically study how these short-range forces affect the extreme orbital behaviour found in octupole LK cycles. In general, the influence of the octupole potential is confined to a range of initial mutual inclinations itot centred around 90° (when the inner binary mass ratio is ≪1), with this range expanding with increasing octupole strength. We find that, while the short-range forces do not change the width and location of this `window of influence', they impose a strict upper limit on the maximum achievable eccentricity. This limiting eccentricity can be calculated analytically, and its value holds even for strong octupole potential and for the general case of three comparable masses. Short-range forces also affect orbital flips, progressively reducing the range of itot within which flips are possible as the intensity of these forces increases.

  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. Soviet short-range nuclear forces: flexible response or flexible aggression. Student essay

    SciTech Connect

    Smith, T.R.

    1987-03-23

    This essay takes a critical look at Soviet short-range nuclear forces in an effort to identify Soviet capabilities to fight a limited nuclear war with NATO. From an analysis of Soviet military art, weapon-system capabilities and tactics, the author concludes that the Soviets have developed a viable limited-nuclear-attack option. Unless NATO reacts to this option, the limited nuclear attack may become favored Soviet option and result in the rapid defeat of NATO.

  1. Performance of short-range non-line-of-sight LED-based ultraviolet communication receivers.

    PubMed

    He, Qunfeng; Xu, Zhengyuan; Sadler, Brian M

    2010-06-01

    Utilizing an empirical path loss model proposed in the first paper of a two-part series, the bit error rate performance of short-range non-line-of-sight ultraviolet communication receivers is analyzed. Typical photodetector models and modulation formats are considered. Our results provide semi-analytical prediction of the achievable communication performance as a function of system and channel parameters, and serve as a basis for system design. PMID:20588347

  2. Short-range guiding can result in the formation of circular aggregates in myxobacteria populations.

    PubMed

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

    2015-04-01

    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

  3. Short range and proximity sensor for autonomous rendez-vous and docking

    NASA Astrophysics Data System (ADS)

    Flamenbaum, S.; Bomer, T.; Jamet, J.; Turon, P.; Krebs, J. P.

    1986-10-01

    Rendezvous and docking (RVD) sensors have currently been the subject of investigation on the part of MATRA and SODERN. The paper presents the 'future flight sensor' together with estimates of accuracy, mass, power, and reliability. The imager sensor for the short range and proximity phases of RVD appears to be the most suitable and promising in terms of performance capability. Moreover, this concept conforms to the present-day Columbus and Hermes specifications.

  4. Double Chooz and the search for short range anti-neutrino oscillations

    NASA Astrophysics Data System (ADS)

    Hartmann, Francis X.

    2009-06-01

    The Double Chooz Experiment seeks to search for short range antineutrino oscillations from the nuclear reactors at the Chooz Nuclear Power Station operated by Electricite de France in Northeastern France. The measurements are of interest to constraining the value for θ13 in current neutrino oscillation models. New scintillator types based on beta-diketone and pH stabilized carboxylic acid chemistry are described. New results from the study of these scintillators in the context of the detector design are reported.

  5. Explicit Design of FPGA-Based Coprocessors for Short-Range Force Computations in Molecular Dynamics Simulations *†

    PubMed Central

    Gu, Yongfeng; VanCourt, Tom; Herbordt, Martin C.

    2008-01-01

    FPGA-based acceleration of molecular dynamics simulations (MD) has been the subject of several recent studies. The short-range force computation, which dominates the execution time, is the primary focus. Here we combine: a high level of FPGA-specific design including cell lists, systematically determined interpolation and precision, handling of exclusion, and support for MD simulations of up to 256K particles. The target system consists of a standard PC with a 2004-era COTS FPGA board. There are several innovations: new microarchitectures for several major components, including the cell list processor and the off-chip memory controller; and a novel arithmetic mode. Extensive experimentation was required to optimize precision, interpolation order, interpolation mode, table sizes, and simulation quality. We obtain a substantial speed-up over a highly tuned production MD code. PMID:19412319

  6. 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

  7. 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.

  8. 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. PMID:19277090

  9. 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. PMID:21513403

  10. On the validity of the Boltzmann equation for short range potentials

    NASA Astrophysics Data System (ADS)

    Pulvirenti, M.; Saffirio, C.; Simonella, S.

    2014-02-01

    We consider a classical system of point particles interacting by means of a short range potential. We prove that, in the low-density (Boltzmann-Grad) limit, the system behaves, for short times, as predicted by the associated Boltzmann equation. This is a revisitation and an extension of the thesis of King [9] (that appeared after the well-known result of Lanford [10] for hard spheres) and of a recent paper by Gallagher et al. [5]. Our analysis applies to any stable and smooth potential. In the case of repulsive potentials (with no attractive parts), we estimate explicitly the rate of convergence.

  11. Numerology, hydrogenic levels, and the ordering of excited states in one-electron atoms

    NASA Astrophysics Data System (ADS)

    Armstrong, Lloyd, Jr.

    1982-03-01

    We show that the observed ordering of Rydberg states of one-electron atoms can be understood by assuming that these states are basically hydrogenic in nature. Much of the confusion concerning this point is shown to arise from the failure to differentiate between hydrogenic ordering as the nuclear charge approaches infinity, and hydrogenic ordering for an effective charge of one. The origin of κ ordering of Rydberg levels suggested by Sternheimer is considered within this picture, and the predictions of κ ordering are compared with those obtained by assuming hydrogenic ordering.

  12. 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

  13. Higher-order effects on the precision of clocks of neutral atoms in optical lattices

    NASA Astrophysics Data System (ADS)

    Ovsiannikov, V. D.; Marmo, S. I.; Palchikov, V. G.; Katori, H.

    2016-04-01

    The recent progress in designing optical lattice clocks with fractional uncertainties below 10-17 requires unprecedented precision in estimating the role of higher-order effects of atom-lattice interactions. In this paper, we present results of systematic theoretical evaluations of the multipole, nonlinear, and anharmonic effects on the optical-lattice-based clocks of alkaline-earth-like atoms. Modifications of the model-potential approach are introduced to minimize discrepancies of theoretical evaluations from the most reliable experimental data. Dipole polarizabilities, hyperpolarizabilities, and multipolar polarizabilities for neutral Ca, Sr, Yb, Zn, Cd, and Hg atoms are calculated in the modified approach.

  14. Atomic-scale wavefunctions and dynamics inside the hidden order compound URu2 Si2

    NASA Astrophysics Data System (ADS)

    Wray, L. Andrew; Denlinger, Jonathan; Huang, Shih-Wen; Butch, Nicholas; Maple, M. Brian; Hussain, Zahid; Chuang, Yi-De

    2015-03-01

    Understanding the emergent wavefunctions of correlated electron systems requires experimental probes that can resolve electronic states on an atomic scale. However, imaging techniques such as STM that resolve single atoms do not provide a good way to distinguish the entangled symmetries of nearby electrons. I will talk about how energy-resolved scattering measurements performed with resonance-tuned X-rays can open a unique window into many-body entangled states on an atomic length scale and femtosecond time scale. The presentation will focus on data that unveil low temperature wavefunction symmetries and energetics of uranium electrons in the ``hidden order'' compound URu2Si2.

  15. 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.

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

    DOE PAGESBeta

    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 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

  17. 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.

  18. Spatial concentration distribution model for short-range continuous gas leakage of small amount

    NASA Astrophysics Data System (ADS)

    Wang, Meirong; Wang, Lingxue; Li, Jiakun; Long, Yunting; Gao, Yue

    2012-06-01

    Passive infrared gas imaging systems have been utilized in the equipment leak detection and repair in chemical manufacturers and petroleum refineries. The detection performance mainly relates to the sensitivity of infrared detector, optical depth of gas, atmospheric transmission, wind speed, and so on. Based on our knowledge, the spatial concentration distribution of continuously leaking gas plays an important part in leak detection. Several computational model of gas diffusion were proposed by researchers, such as Gaussian model, BM model, Sutton model and FEM3 model. But these models focus on calculating a large scale gas concentration distribution for a great amount of gas leaks above over 100- meter height, and not applicable to assess detection limit of a gas imaging system in short range. In this paper, a wind tunnel experiment is designed. Under different leaking rate and wind speed, concentration in different spatial positions is measured by portable gas detectors. Through analyzing the experimental data, the two parameters σy(x) and σz (x) that determine the plume dispersion in Gaussian model are adjusted to produce the best curve fit to the gas concentration data. Then a concentration distribution model for small mount gas leakage in short range is established. Various gases, ethylene and methane are used to testify this model.

  19. Searching for Short Range Correlations Using (e,e'NN) Reactions

    SciTech Connect

    Bin Zhang

    2003-02-01

    Electron induced two nucleon knockout reactions (e,e'pp) and (e,e'np) were performed for {sup 3}He, {sup 4}He, and {sup 12}C nuclei with incident energies of 2.261 GeV and 4.461 GeV using the CLAS detector at Jefferson Lab. Events with missing momenta lower than the Fermi level and missing energies smaller than the pion threshold were studied. The residual system was assumed to be a spectator and the process was considered as a quasi-free knockout of an NN pair. The data showed that the initial momentum extends up to 800 MeV/c with considerable strength. The cross sections for {sup 3}He(e,e'pp)n were compared to the calculations of J.M. Laget. It was found that the final state interactions (FSI) and the meson exchange currents (MEC) dominate the cross sections and the short range properties of the NN pair were substantially undermined. However, the node of the S state wave function of the pp pair at around 400 MeV/c initial momentum starts to be recognizable in the 4.461 GeV data. The data and the theory suggest that with higher momentum transfers, especially in the region x{sub Bj} > 1, the competing processes such as FSI and MEC will be less important and the detailed study of the short-range properties of nucleons inside nuclei will be more desirable.

  20. Short-range correlations and the 3 s1 /2 wave function in 206Pb

    NASA Astrophysics Data System (ADS)

    Anders, M. R.; Shlomo, S.; Talmi, I.

    2015-09-01

    The charge-density difference between 206Pb and 205Tl , measured by elastic electron scattering, offers a unique opportunity to look for effects of short-range correlations on a shell-model wave function of a single proton. The measured difference is very similar to the charge density due to a proton in a 3 s1 /2 orbit. If there is a potential whose 3 s1 /2 wave function yields the measured difference between the charge distributions, no effect of short-range correlations is evident. To check this point, we look for a potential whose 3 s1 /2 wave function yields the measured data. We developed a novel method to obtain the potential directly from the density and its first and second derivatives. Fits to parametrized potentials were also carried out. The 3 s1 /2 wave functions of the potentials determined here reproduce fairly well the experimental data within the quoted errors. To detect possible effects of two-body correlations on the 3 s1 /2 shell-model wave function, more accurate measurements are required.

  1. Short-range interactions and scaling near integer quantum Hall transitions

    SciTech Connect

    Wang, Ziqiang; Fisher, Matthew P. A.; Girvin, S. M.; Chalker, J. T.

    2000-03-15

    We study the influence of short-range electron-electron interactions on scaling behavior near the integer quantum Hall plateau transitions. Short-range interactions are known to be irrelevant at the renormalization group fixed point which represents the transition in the noninteracting system. We find, nevertheless, that transport properties change discontinuously when interactions are introduced. Most importantly, in the thermodynamic limit the conductivity at finite temperature is zero without interactions, but nonzero in the presence of arbitrarily weak interactions. In addition, scaling as a function of frequency {omega} and temperature T is determined by the scaling variable {omega}/T{sup p} (where p is the exponent for the temperature dependence of the inelastic scattering rate) and not by {omega}/T, as it would be at a conventional quantum phase transition described by an interacting fixed point. We express the inelastic exponent p and the thermal exponent z{sub T} in terms of the scaling dimension -{alpha}<0 of the interaction strength and the dynamical exponent z (which has the value z=2), obtaining p=1+2{alpha}/z and z{sub T}=2/p. (c) 2000 The American Physical Society.

  2. Implementing Molecular Dynamics for Hybrid High Performance Computers - 1. Short Range Forces

    SciTech Connect

    Brown, W Michael; Wang, Peng; Plimpton, Steven J; Tharrington, Arnold N

    2011-01-01

    The use of accelerators such as general-purpose graphics processing units (GPGPUs) have become popular in scientific computing applications due to their low cost, impressive floating-point capabilities, high memory bandwidth, and low electrical power requirements. Hybrid high performance computers, machines with more than one type of floating-point processor, are now becoming more prevalent due to these advantages. In this work, we discuss several important issues in porting a large molecular dynamics code for use on parallel hybrid machines - 1) choosing a hybrid parallel decomposition that works on central processing units (CPUs) with distributed memory and accelerator cores with shared memory, 2) minimizing the amount of code that must be ported for efficient acceleration, 3) utilizing the available processing power from both many-core CPUs and accelerators, and 4) choosing a programming model for acceleration. We present our solution to each of these issues for short-range force calculation in the molecular dynamics package LAMMPS. We describe algorithms for efficient short range force calculation on hybrid high performance machines. We describe a new approach for dynamic load balancing of work between CPU and accelerator cores. We describe the Geryon library that allows a single code to compile with both CUDA and OpenCL for use on a variety of accelerators. Finally, we present results on a parallel test cluster containing 32 Fermi GPGPUs and 180 CPU cores.

  3. 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).

  4. 77 FR 55466 - Environmental Impact Statement for Short Range-Projects and Update of the Real Property Master...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-09-10

    ... Department of the Army Environmental Impact Statement for Short Range-Projects and Update of the Real... proposed short-range improvement projects and the proposed update of the Real Property Master Plan (RPMP) for Fort Belvoir, VA. The EIS will analyze environmental impacts associated with the proposed...

  5. 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.

  6. Long-Ranged and Short-Ranged Electrostatic Interaction Between Modified Silicon Surfaces and Recombinant Ferritin Molecules

    NASA Astrophysics Data System (ADS)

    Hayashi, Tomohiro; Hara, Masahiko

    2005-07-01

    Atomic force microscopy (AFM) was employed to probe the interaction between recombinant ferritin molecules immobilized on an AFM tip and surface-modified silicon substrates. Force-distance curve profiles demonstrated for the first time the controllability of long-ranged ferritin-substrate interactions and the amount of ferritin molecules adsorbed on a substrate by modifying the amino acid sequence in the N-terminal domains. In addition, we proposed that the decoration of substrate surface with self-assembled monolayers (SAMs) also helped in controlling the ferritin-substrate interaction and the resulting adsorption amount. Our important finding is that the amount of ferritin adsorbed cannot be predicted simply from the zeta potentials of a ferritin molecule and substrate, and that the flexibility of the surface polar groups on a Si substrate is an important factor that governs the amount of the adsorption. Based on the analysis of force-distance profiles, we discuss what kind of force dominates the long-ranged and short-ranged interactions between ferritin and silicon substrates. These provide insights and lead to a deeper understanding of the factors to govern the adsorption of ferritins onto solid substrates.

  7. Comparison between millimetre waves and infra-red for short-range surveillance

    NASA Astrophysics Data System (ADS)

    Denniss, P.

    The system characteristics of short-range surveillance by millimeter waves and by infrared are described and contrasted. The basic advantages of IR are its passivity, day and night detection ranges of at least 5-10 km on aircraft targets, the elimination of mutual interference problems, and typical angular accuracy of 1 mR resolution in two planes. Some of the disadvantages are that no range or velocity is intrinsically available, that the performance depends on weather conditions, and that a considerable burden is placed on the data processing system in trying to reject all signals except the target. In some ways, the pros and cons of mm radar are the antithesis of those for IR. A hybrid system combining both systems is deemed a very attractive possibility.

  8. Short-range remote detection of liquid surface contamination by active imaging Fourier transform spectrometry.

    PubMed

    Harig, Roland; Braun, René; Dyer, Chris; Howle, Chris; Truscott, Benjamin

    2008-04-14

    An imaging Fourier transform spectrometer developed at TUHH was used for short-range remote detection and identification of liquids on surfaces. The method is based on the measurement of infrared radiation emitted and reflected by the surface and the liquid. A radiative transfer model that takes both the real and imaginary parts of the refractive index of the materials into account has been developed. The model is applied for the detection and identification of potentially hazardous liquids. Measurements of various liquids on diverse surfaces were performed. The measured spectra depend on the optical properties of the background surface. However, using the radiative transfer model, automatic remote detection and identification of the liquids is possible. The agreement between measured spectra and spectra calculated using the radiative transfer model is excellent. PMID:18542678

  9. Promoting collective motion of self-propelled agents by discarding short-range interactions

    NASA Astrophysics Data System (ADS)

    Yang, Han-Xin; Rong, Zhihai

    2015-08-01

    We study the collective motion of self-propelled agents with the restricted view. The field of view of each agent is an annulus bounded by the outer radius r and inner radius αr, where α ​is a tunable parameter. We find that there exists an optimal value of α leading to the highest degree of direction consensus. This phenomenon indicates that there exists superfluous communication in the collective motion of self-propelled agents and short-range interactions hinder the direction consensus of the system. The value of optimal α decreases as the absolute velocity increases, while it increases as the outer radius r and the system size increase. For a fixed value of α, direction consensus is enhanced when the absolute velocity is small, the outer radius or the system size is large.

  10. Structure and dynamics of model colloidal clusters with short-range attractions

    NASA Astrophysics Data System (ADS)

    Hoy, Robert S.

    2015-01-01

    We examine the structure and dynamics of small isolated N -particle clusters interacting via short-ranged Morse potentials. "Ideally prepared ensembles" obtained via exact enumeration studies of sticky hard-sphere packings serve as reference states allowing us to identify key statistical-geometrical properties and to quantitatively characterize how nonequilibrium ensembles prepared by thermal quenches at different rates T ˙ differ from their equilibrium counterparts. Studies of equilibrium dynamics show nontrivial temperature dependence: nonexponential relaxation indicates both glassy dynamics and differing stabilities of degenerate clusters with different structures. Our results should be useful for extending recent experimental studies of small colloidal clusters to examine both equilibrium relaxation dynamics at fixed T and a variety of nonequilibrium phenomena.

  11. Long-ranged solvation forces in a fluid with short-ranged interactions

    NASA Astrophysics Data System (ADS)

    Pertsin, Alexander J.; Grunze, Michael

    2003-05-01

    The grand canonical Monte Carlo technique is used to calculate the solvation force and interfacial tension in a simple Lennard-Jones fluid confined between two solid walls. Emphasis is placed on large wall-to-wall separations, where the oscillations of density and solvation force due to layering effects have decayed. Despite the short range of the fluid-fluid and fluid-wall interaction potentials used, the solvation force shows an unsuspectedly long-ranged behavior, remaining quite perceptible up to a separation of 100 molecular diameters. It is also found that the sign of the solvation force at large separations is not uniquely determined by the sign of the interfacial tension: The walls that are "philic" with respect to the constrained fluid may well exhibit both repulsive and attractive solvation forces.

  12. n-p Short-Range Correlations from (p,2p + n) Measurements

    NASA Astrophysics Data System (ADS)

    Watson, J. W.; Tang, A.; Alster, J.; Malki, A.; Navon, I.; Piasetzky, E.; Heppelmann, S.; Leksanov, A.; Minina, E.; Ogawa, A.; Zhalov, D.; Barton, D.; Carroll, A.; Makdisi, Y.; Nicholson, H.; Arsyan, G.; Baturin, V.; Bukhtoyarova, N.; Schetkovsky, A.; Averichev, Y.; Panebratsev, Yu.; Shimanskiy, S.; Kawabata, T.; Yoshida, H.

    2001-10-01

    Recently, a new technique was reported(Aclander et al., Phys. Lett B453, 211 (1999).) for studying N-N short-range correlations in nuclei, with the triple-coincidence (p,2p + n) reaction. We report here results from applying this technique to new data for ^12C(p,2p + n) at 5.9, 8.0 and 9.0 GeV/c beam momenta. For detected neutrons with pn > 0.22 GeV/c (the Fermi momentum for ^12C), the geometrical correlation signal for n-p pairs with nearly equal and opposite momenta is very striking. For neutrons with pn < 0.22 GeV/c, the geometrical correlation is absent.

  13. n-p Short-Range Correlations from (p,2p+n) Measurements

    NASA Astrophysics Data System (ADS)

    Tang, A.; Watson, J. W.; Aclander, J.; Alster, J.; Asryan, G.; Averichev, Y.; Barton, D.; Baturin, V.; Bukhtoyarova, N.; Carroll, A.; Gushue, S.; Heppelmann, S.; Leksanov, A.; Makdisi, Y.; Malki, A.; Minina, E.; Navon, I.; Nicholson, H.; Ogawa, A.; Panebratsev, Yu.; Piasetzky, E.; Schetkovsky, A.; Shimanskiy, S.; Zhalov, D.

    2003-01-01

    We studied the 12C(p,2p+n) reaction at beam momenta of 5.9, 8.0, and 9.0 GeV/c. For quasielastic (p,2p) events pf, the momentum of the knocked-out proton before the reaction, was compared (event by event) with pn, the coincident neutron momentum. For |pn|>kF=0.220 GeV/c (the Fermi momentum) a strong back-to-back directional correlation between pf and pn was observed, indicative of short-range n-p correlations. From pn and pf we constructed the distributions of c.m. and relative motion in the longitudinal direction for correlated pairs. We also determined that 49±13% of events with |pf|>kF had directionally correlated neutrons with |pn|>kF.

  14. Magnetoplasmons bound to short-range impurities in graphene: Symmetries and optics

    SciTech Connect

    Fischer, Andrea M.; Roemer, Rudolf A.; Dzyubenko, Alexander B.

    2011-10-15

    We consider a graphene sheet in the presence of a strong perpendicular magnetic field with a single short-range {delta} impurity situated at one of the carbon sites. We study the neutral inter-Landau level collective excitations, magnetoplasmons, which become localized on the impurity. Some of these excitations involve a pseudospin flip (intervalley transitions), since the impurity can scatter electrons between the two valleys. We propose a classification of states of the excitations in graphene and introduce the appropriate quantum numbers. The energies and optical strengths of collective excitations are calculated for a range of integer filling factors and impurity strengths. We establish a set of symmetries matching the energies and absorption strengths of collective excitations for different sublattice locations of the impurity, filling factors, circular light polarizations, and signs of the impurity potential.

  15. Absolute measurement of thermal noise in a resonant short-range force experiment

    NASA Astrophysics Data System (ADS)

    Yan, H.; Housworth, E. A.; Meyer, H. O.; Visser, G.; Weisman, E.; Long, J. C.

    2014-10-01

    Planar, double-torsional oscillators are especially suitable for short-range macroscopic force search experiments, since they can be operated at the limit of instrumental thermal noise. As a study of this limit, we report a measurement of the noise kinetic energy of a polycrystalline tungsten oscillator in thermal equilibrium at room temperature. The fluctuations of the oscillator in a high-Q torsional mode with a resonance frequency near 1 kHz are detected with capacitive transducers coupled to a sensitive differential amplifier. The electronic processing is calibrated by means of a known electrostatic force and input from a finite-element model. The measured average kinetic energy, Eexp = (2.0 ± 0.3) × 10-21 J, is in agreement with the expected value of 1/2{{k}B}T.

  16. Rapid resolution of crustal motion at short ranges with the global positioning system

    NASA Technical Reports Server (NTRS)

    Genrich, Joachim F.; Bock, Yehuda

    1992-01-01

    An analysis of GPS alignment array data collected in November 1990 and February 1991 are used to assess the temporal resolution of crustal deformation for GPS receiver systems operating as strain meters, and guidelines for achieving millimeter-level precision with short-range, kinematic-type GPS measurements are provided. Baselines between the array endpoints computed from 24 min of static observations on three consecutive days show an rms scatter of about 0.1 nm in the horizontal components and of about 0.3 mm in the vertical. They agree to within 0.2 mm with a solution calculated from measurements collected 3 mo earlier, indicating that this segment of the San Andreas fault appears to be locked at the surface over this period of time. Epoch-by-epoch solutions of array baselines with a six-satellite constellation show a multipath signature with typical amplitudes of several millimeters and periods of a few minutes.

  17. A Low-Cost Cooperative Strategy for Cellular Controlled Short-Range Communication Systems

    NASA Astrophysics Data System (ADS)

    Han, Han; Wang, Hao; Lin, Xiaokang

    This letter is concerned with cellular controlled short-range communication (CCSRC) systems, which can provide a significant performance gain over the traditional cellular systems as shown in the literature. However, to obtain such a gain, CCSRC systems need perfect channel state information (CSI) of all users and the complexity of setting up the optimal cooperative clusters is factorial with respect to the number of potentially cooperative users, which is very unrealistic in practical systems. To solve this problem, we propose a novel cooperative strategy, where CCSRC systems only need the distances between all user pairs and the complexity of setting up the cooperative clusters is relatively low. Simulation results show that the performance of the proposed strategy is close to optimal.

  18. n-p short-range correlations from (p,2p+n) measurements.

    PubMed

    Tang, A; Watson, J W; Aclander, J; Alster, J; Asryan, G; Averichev, Y; Barton, D; Baturin, V; Bukhtoyarova, N; Carroll, A; Gushue, S; Heppelmann, S; Leksanov, A; Makdisi, Y; Malki, A; Minina, E; Navon, I; Nicholson, H; Ogawa, A; Panebratsev, Yu; Piasetzky, E; Schetkovsky, A; Shimanskiy, S; Zhalov, D

    2003-01-31

    We studied the 12C(p,2p+n) reaction at beam momenta of 5.9, 8.0, and 9.0 GeV/c. For quasielastic (p,2p) events p(f), the momentum of the knocked-out proton before the reaction, was compared (event by event) with p(n), the coincident neutron momentum. For |p(n)|>k(F)=0.220 GeV/c (the Fermi momentum) a strong back-to-back directional correlation between p(f) and p(n) was observed, indicative of short-range n-p correlations. From p(n) and p(f) we constructed the distributions of c.m. and relative motion in the longitudinal direction for correlated pairs. We also determined that 49+/-13% of events with |p(f)|>k(F) had directionally correlated neutrons with |p(n)|>k(F). PMID:12570411

  19. Measurement of two- and three-nucleon short-range correlation probabilities in nuclei.

    PubMed

    Egiyan, K S; Dashyan, N B; Sargsian, M M; Strikman, M I; Weinstein, L B; Adams, G; Ambrozewicz, P; Anghinolfi, M; Asavapibhop, B; Asryan, G; Avakian, H; Baghdasaryan, H; Baillie, N; Ball, J P; Baltzell, N A; Batourine, V; Battaglieri, M; Bedlinskiy, I; Bektasoglu, M; Bellis, M; Benmouna, N; Biselli, A S; Bonner, B E; Bouchigny, S; Boiarinov, S; Bradford, R; Branford, D; Brooks, W K; Bültmann, S; Burkert, V D; Bultuceanu, C; Calarco, J R; Careccia, S L; Carman, D S; Carnahan, B; Chen, S; Cole, P L; Coltharp, P; Corvisiero, P; Crabb, D; Crannell, H; Cummings, J P; De Sanctis, E; DeVita, R; Degtyarenko, P V; Denizli, H; Dennis, L; Dharmawardane, K V; Djalali, C; Dodge, G E; Donnelly, J; Doughty, D; Dragovitsch, P; Dugger, M; Dytman, S; Dzyubak, O P; Egiyan, H; Elouadrhiri, L; Empl, A; Eugenio, P; Fatemi, R; Fedotov, G; Feuerbach, R J; Forest, T A; Funsten, H; Gavalian, G; Gevorgyan, N G; Gilfoyle, G P; Giovanetti, K L; Girod, F X; Goetz, J T; Golovatch, E; Gothe, R W; Griffioen, K A; Guidal, M; Guillo, M; Guler, N; Guo, L; Gyurjyan, V; Hadjidakis, C; Hardie, J; Hersman, F W; Hicks, K; Hleiqawi, I; Holtrop, M; Hu, J; Huertas, M; Hyde-Wright, C E; Ilieva, Y; Ireland, D G; Ishkhanov, B S; Ito, M M; Jenkins, D; Jo, H S; Joo, K; Juengst, H G; Kellie, J D; Khandaker, M; Kim, K Y; Kim, K; Kim, W; Klein, A; Klein, F J; Klimenko, A; Klusman, M; Kramer, L H; Kubarovsky, V; Kuhn, J; Kuhn, S E; Kuleshov, S; Lachniet, J; Laget, J M; Langheinrich, J; Lawrence, D; Lee, T; Livingston, K; Maximon, L C; McAleer, S; McKinnon, B; McNabb, J W C; Mecking, B A; Mestayer, M D; Meyer, C A; Mibe, T; Mikhailov, K; Minehart, R; Mirazita, M; Miskimen, R; Mokeev, V; Morrow, S A; Mueller, J; Mutchler, G S; Nadel-Turonski, P; Napolitano, J; Nasseripour, R; Niccolai, S; Niculescu, G; Niculescu, I; Niczyporuk, B B; Niyazov, R A; O'Relly, G V; Osipenko, M; Ostrovidov, A I; Park, K; Pasyuk, E; Peterson, C; Pierce, J; Pivnyuk, N; Pocanic, D; Pogorelko, O; Polli, E; Pozdniakov, S; Preedom, B M; Price, J W; Prok, Y; Protopopescu, D; Qin, L M; Raue, B A; Riccardi, G; Ricco, G; Ripani, M; Ritchie, B G; Ronchetti, F; Rosner, G; Rossi, P; Rowntree, D; Rubin, P D; Sabatié, F; Salgado, C; Santoro, J P; Sapunenko, V; Schumacher, R A; Serov, V S; Sharabian, Y G; Shaw, J; Smith, E S; Smith, L C; Sober, D I; Stavinsky, A; Stepanyan, S; Stokes, B E; Stoler, P; Strauch, S; Suleiman, R; Taiuti, M; Taylor, S; Tedeschi, D J; Thompson, R; Tkabladze, A; Tkachenko, S; Todor, L; Tur, C; Ungaro, M; Vineyard, M F; Vlassov, A V; Weygand, D P; Williams, M; Wolin, E; Wood, M H; Yegneswaran, A; Yun, J; Zana, L; Zhang, J

    2006-03-01

    The ratios of inclusive electron scattering cross sections of 4He, 12C, and 56Fe to 3He have been measured at 1 < xB <. At Q2 > 1.4 GeV2, the ratios exhibit two separate plateaus, at 1.5 < xB < 2 and at xB > 2.25. This pattern is predicted by models that include 2- and 3-nucleon short-range correlations (SRC). Relative to A = 3, the per-nucleon probabilities of 3-nucleon SRC are 2.3, 3.1, and 4.4 times larger for A = 4, 12, and 56. This is the first measurement of 3-nucleon SRC probabilities in nuclei. PMID:16606174

  20. Identification of ordered atomic structures of Ba on the Si(100) surface

    NASA Astrophysics Data System (ADS)

    Fan, W. C.; Ignatiev, A.

    1991-08-01

    Three long-range ordered atomic structures of (2 × 3), (1 × 2) and (2 × 4) phases have been observed by low-energy electron-diffraction (LEED) in the Ba/Si(100) surface at submonolayer Ba coverages (θ < 1 ML). The relationship between the observed phases for Ba on the Si(100) surface have been described as a function of Ba coverage and anneal temperature. Possible models of the surface atomic structures for the ordered phases are proposed by assuming Ba atomic chains in the Ba overlayer. A diffuse c(4 × 4)-like pattern has also been observed in the Ba/Si(100) system at high Ba exposure (> 2 ML), which might result from Ba diffusion and possible formation of a barium suicide.

  1. Technical Developments in the Search for a Short-Range Spin-Dependent Fifth Force Interaction

    NASA Astrophysics Data System (ADS)

    Peters, Michael; Snow, W. Michael; Smith, Erick; Khatiwada, Rakshya; Li, Ke

    2014-09-01

    Theoretical treatments of the possible interactions between two fermions from boson exchange in the nonrelativistic limit include a short-range monopole-dipole interaction proportional to S-> . r-> . This potential would generate an NMR frequency shift in an ensemble of polarized nuclei when an unpolarized mass is brought nearby. Techniques to move the mass as close to the polarized nuclei as possible are needed to access sub-millimeter interaction ranges. We describe the preparation of nonmagnetic test masses and a mechanical system to bring the test mass close to an ensemble of polarized 3He nuclei, which are polarized in a spin-exchange optical pumping cell at Duke University. We describe how the masses are prepared to conform to the slightly asymmetric contours of the 100-micron thick glass cell window by a combination of coordinate measuring machine data and a spring-loaded suspension system that allows the mass to slightly rotate. Theoretical treatments of the possible interactions between two fermions from boson exchange in the nonrelativistic limit include a short-range monopole-dipole interaction proportional to S-> . r-> . This potential would generate an NMR frequency shift in an ensemble of polarized nuclei when an unpolarized mass is brought nearby. Techniques to move the mass as close to the polarized nuclei as possible are needed to access sub-millimeter interaction ranges. We describe the preparation of nonmagnetic test masses and a mechanical system to bring the test mass close to an ensemble of polarized 3He nuclei, which are polarized in a spin-exchange optical pumping cell at Duke University. We describe how the masses are prepared to conform to the slightly asymmetric contours of the 100-micron thick glass cell window by a combination of coordinate measuring machine data and a spring-loaded suspension system that allows the mass to slightly rotate. NSF Grant PHY-1306942

  2. 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.

  3. 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.

  4. Binary short-range colloidal assembly of magnetic iron oxides nanoparticles and fullerene (nC60) in environmental media.

    PubMed

    Ghosh, Saikat; Pradhan, Nihar R; Mashayekhi, Hamid; Dickert, Stefan; Thantirige, Rukshan; Tuominen, Mark T; Tao, Shu; Xing, Baoshan

    2014-10-21

    Colloidal assembly of nC60 fullerene with naturally abundant magnetic iron oxide NPs will affect their fate and transformation in environmental media. In solution, fullerene association to aggregating iron oxide NPs/clusters greatly enhanced the overall colloidal stability. Development of depletion-mediated structured fullerene layers between pure and surface modified γFe2O3 NPs possibly resulted in such stabilization. Here, we also report that on air-water interface, association of fullerene to pure and humic acid (HA7) coated γFe2O3 NPs led to the formation of ordered assemblies, e.g., binary wires and closed-packed "crystalline" and "glassy" structures in the presence and absence of electrolytes suggesting immobilization of the former. The interaction of fullerene to Fe3O4 NPs and clusters also produced ordered assemblies along with amorphous aggregates. Fullerene interaction with Fe3O4 NPs in low concentration of HA1 and Na(+) at pH 6 formed dendritic growth and polycrystalline circular assemblies on air-water interface. HRTEM study further revealed that the monolayer circular assemblies were highly ordered but structural degeneracy was evident in multilayers. Therefore, interfacial assemblies of fullerene with iron oxide NPs resulted in short-range periodic structures with concomitant immobilization and reduction in availability of the former, especially in soils or sediments rich in the latter. PMID:25222921

  5. 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.

  6. High-order harmonic generation on atoms and ions with laser fields of relativistic intensities

    SciTech Connect

    Avetissian, H. K.; Markossian, A. G.; Mkrtchian, G. F.

    2011-07-15

    High-order harmonic generation (HHG) by hydrogenlike atoms or ions in the field of counterpropagating laser beams of standing-wave configuration, with linear polarizations and relativistic intensities, is studied. The relativistic quantum theory of HHG in such field configurations (homogeneous), at which the impeding factor of relativistic magnetic drift of superstrong laser fields can be eliminated, is presented.

  7. Electronic structure of ordered and disordered alloys in the atomic-sphere approximation

    SciTech Connect

    Singh, P.P.; Gonis, A.

    1994-12-31

    Based on the idea of charge-neutral atomic spheres the authors have calculated the electronic structure of ordered and disordered Cu-Zn, Ni-Pt, and Al-Li alloys using the linear muffin-tin orbital (LMTO) method and the Korringa-Kohn-Rostoker coherent potential approximation (KKR CPA) method in the atomic-sphere approximation (ASA), respectively. The equilibrium lattice constants and the formation energies of ordered alloys obtained with the LMTO-ASA method show that the calculations done with charge-neutral atomic spheres are closer to the experimental results than the conventional equivolume atomic-sphere-type calculations. In the case of disordered alloys, the authors find that charge-neutral atomic spheres are essential for the stability of these alloys within the KKR-ASA CPA method where the Madelung type contribution is neglected. Their results clearly indicate that for disordered alloys any future implementation of a full-potential method within the single-site CPA should be carried out with charge-neutral cells rather than the Wigner-Seitz cells.

  8. 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.

  9. 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.

  10. Evidence for short-range transport of atmospheric mercury to a rural, inland site

    NASA Astrophysics Data System (ADS)

    Rothenberg, Sarah E.; McKee, Lester; Gilbreath, Alicia; Yee, Donald; Connor, Mike; Fu, Xuewu

    2010-03-01

    Atmospheric mercury (Hg) species, including gaseous elemental mercury (GEM), reactive gaseous mercury (RGM) and particulate-bound mercury (Hg p), were monitored near three sites, including a cement plant (monitored in 2007 and 2008), an urban site and a rural site (both monitored in 2005 and 2008). Although the cement plant was a significant source of Hg emissions (for 2008, GEM: 2.20 ± 1.39 ng m -3, RGM: 25.2 ± 52.8 pg m -3, Hg p 80.8 ± 283 pg m -3), average GEM levels and daytime average dry depositional RGM flux were highest at the rural site, when all three sites were monitored sequentially in 2008 (rural site, GEM: 2.37 ± 1.26 ng m -3, daytime RGM flux: 29 ± 40 ng m -2 day -1). Photochemical conversion of GEM was not the primary RGM source, as highest net RGM gains (75.9 pg m -3, 99.0 pg m -3, 149 m -3) occurred within 3.0-5.3 h, while the theoretical time required was 14-23 h. Instead, simultaneous peaks in RGM, Hg p, ozone (O 3), nitrogen oxides, and sulfur dioxide in the late afternoon suggested short-range transport of RGM from the urban center to the rural site. The rural site was located more inland, where the average water vapor mixing ratio was lower compared to the other two sites (in 2008, rural: 5.6 ± 1.4 g kg -1, urban: 9.0 ± 1.1 g kg -1, cement plant: 8.3 ± 2.2 g kg -1). Together, these findings suggested short-range transport of O 3 from an urban area contributed to higher RGM deposition at the rural site, while drier conditions helped sustain elevated RGM levels. Results suggested less urbanized environments may be equally or perhaps more impacted by industrial atmospheric Hg emissions, compared to the urban areas from where Hg emissions originated.

  11. Short-range stabilizing potential for computing energies and lifetimes of temporary anions with extrapolation methods

    SciTech Connect

    Sommerfeld, Thomas; Ehara, Masahiro

    2015-01-21

    The energy of a temporary anion can be computed by adding a stabilizing potential to the molecular Hamiltonian, increasing the stabilization until the temporary state is turned into a bound state, and then further increasing the stabilization until enough bound state energies have been collected so that these can be extrapolated back to vanishing stabilization. The lifetime can be obtained from the same data, but only if the extrapolation is done through analytic continuation of the momentum as a function of the square root of a shifted stabilizing parameter. This method is known as analytic continuation of the coupling constant, and it requires—at least in principle—that the bound-state input data are computed with a short-range stabilizing potential. In the context of molecules and ab initio packages, long-range Coulomb stabilizing potentials are, however, far more convenient and have been used in the past with some success, although the error introduced by the long-rang nature of the stabilizing potential remains unknown. Here, we introduce a soft-Voronoi box potential that can serve as a short-range stabilizing potential. The difference between a Coulomb and the new stabilization is analyzed in detail for a one-dimensional model system as well as for the {sup 2}Π{sub u} resonance of CO{sub 2}{sup −}, and in both cases, the extrapolation results are compared to independently computed resonance parameters, from complex scaling for the model, and from complex absorbing potential calculations for CO{sub 2}{sup −}. It is important to emphasize that for both the model and for CO{sub 2}{sup −}, all three sets of results have, respectively, been obtained with the same electronic structure method and basis set so that the theoretical description of the continuum can be directly compared. The new soft-Voronoi-box-based extrapolation is then used to study the influence of the size of diffuse and the valence basis sets on the computed resonance parameters.

  12. 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...

  13. 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...

  14. 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.

  15. Many-atom interactions in the theory of higher order elastic moduli: A general theory

    NASA Astrophysics Data System (ADS)

    Osipenko, I. A.; Kukin, O. V.; Gufan, A. Yu.; Gufan, Yu. M.

    2013-12-01

    The total potential energy of a crystal U({ r ik }) as a function of the vectors r ik connecting centers of equilibrium positions of the ith and kth atoms is assumed to be represented as a sum of irreducible interaction energies in clusters containing pairs, triples, and quadruples of atoms located in sites of the crystal lattice A2: U({ r ik }) ≡ Σ{/N=1 4} E N ({ r ik }). The curly brackets denote the "entire set." A complete set of invariants { I j ({ r ik })} N , which determine the energy of each individual cluster as a function of the vectors connecting centers of equilibrium positions of atoms in the cluster E N ({ r ik }) ≡ E N ({ I j ({ r ik })} N ), is obtained from symmetry considerations. The vectors r ik are represented in the form of an expansion in the basis of the Bravais lattice. This makes it possible to represent the invariants { I j ({ r ik })} N in the form of polynomials of integers multiplied by τ{2/ m }. Here, τ2 is one-half of the edge of the unit cell in the A2 structure and m is a constant determined by the model of interaction energy in pairs, triples, and quadruples of atoms. The model interaction potential between atoms in the form of a sum of the Lennard-Jones interaction potential and similarly constructed interaction potentials of triples and quadruples of atoms is considered as an example. Within this model, analytical expressions for second-order and third-order elastic moduli of crystals with the A2 structure are obtained.

  16. 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. PMID:27058733

  17. Short-range interactions versus long-range correlations in bird flocks.

    PubMed

    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. PMID:26274201

  18. 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.

  19. An Energy-Harvesting Wireless-Interface SoC for Short-Range Data Communication

    NASA Astrophysics Data System (ADS)

    Mikami, Shinji; Matsuno, Tetsuro; Miyama, Masayuki; Kawaguchi, Hiroshi; Yoshimoto, Masahiko; Ono, Hiroaki

    This paper describes design and verification of a wireless-interface SoC (system-on-a-chip) for a wireless battery-less mouse with short-range data-communication capability. The SoC comprises an RF transmitter and microcontroller. The SoC, which is powered by an electric generator that exploits gyration energy by dragging the mouse, was fabricated using a TSMC 0.18-um CMOS process. The features of the SoC are the adoption of a simple FSK modulation scheme, single-end configuration on the RF transmitter, and specific microcontroller design for mouse operation. We verified that the RF transmitter can make data communication within a 1-m range at 2.17 mW, and the microcontroller consumes 0.03 mW at 1 MHz, which exhibits that the total power consumption is 2.2 mW. This is sufficiently low for the SoC to operate with energy harvesting.

  20. 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. PMID:26863187

  1. 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.

  2. Meta-heuristic CRPS minimization for the calibration of short-range probabilistic forecasts

    NASA Astrophysics Data System (ADS)

    Mohammadi, Seyedeh Atefeh; Rahmani, Morteza; Azadi, Majid

    2016-01-01

    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.

  3. Multicomponent adhesive hard sphere models and short-ranged attractive interactions in colloidal or micellar solutions

    NASA Astrophysics Data System (ADS)

    Gazzillo, Domenico; Giacometti, Achille; Fantoni, Riccardo; Sollich, Peter

    2006-11-01

    We investigate the dependence of the stickiness parameters tij=1/(12τij) —where the τij are the conventional Baxter parameters—on the solute diameters σi and σj in multicomponent sticky hard sphere (SHS) models for fluid mixtures of mesoscopic neutral particles. A variety of simple but realistic interaction potentials, utilized in the literature to model short-ranged attractions present in real solutions of colloids or reverse micelles, is reviewed. We consider: (i) van der Waals attractions, (ii) hard-sphere-depletion forces, (iii) polymer-coated colloids, and (iv) solvation effects (in particular hydrophobic bonding and attractions between reverse micelles of water-in-oil microemulsions). We map each of these potentials onto an equivalent SHS model by requiring the equality of the second virial coefficients. The main finding is that, for most of the potentials considered, the size-dependence of tij(T,σi,σj) can be approximated by essentially the same expression, i.e., a simple polynomial in the variable σiσj/σij2 , with coefficients depending on the temperature T , or—for depletion interactions—on the packing fraction η0 of the depletant particles.

  4. The equilibria of vesicles adhered to substrates by short-ranged potentials.

    PubMed

    Blount, Maurice J; Miksis, Michael J; Davis, Stephen H

    2013-05-01

    In equilibrium, a vesicle that is adhered to a horizontal substrate by a long-range attractive, short-range repulsive force traps a thin layer of fluid beneath it. In the asymptotic limit that this layer is very thin, there are quasi-two-dimensional boundary-layer structures near the edges of the vesicle, where the membrane's shape is governed by a balance between bending and adhesive stresses. These boundary layers are analysed to obtain corrections to simpler models that instead represent the adhesive interaction by a contact potential, thereby resolving apparent discontinuities that arise when such models are used. Composite expansions of the shapes of two-dimensional vesicles are derived. When, in addition, the adhesive interaction is very strong, there is a nested boundary-layer structure for which the adhesive boundary layers match towards sharp corners where bending stresses remain important but adhesive stresses are negligible. Outside these corners, bending stresses are negligible and the vesicle's shape is given approximately by the arc of a circle. Simple composite expansions of the vesicle's shape are derived that account for the shape of the membrane inside these corners. PMID:23653527

  5. Relations between short-range and long-range Ising models

    NASA Astrophysics Data System (ADS)

    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), 10.1103/PhysRevB.8.281], 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.

  6. 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.

  7. 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.

  8. Signal-source trackers on Infrared-based Dedicated Short-Range Communication

    NASA Astrophysics Data System (ADS)

    Lu, Po-Wen; Chen, Rongshun

    2010-03-01

    Location-based ITS applications, especially the applications based on Vehicle-to-Vehicle (V2V) communication, require the absolute or relative location information of the communicating objects. GPS receivers are often used to give the absolute locations of the objects. However, the updating rate and the resolution of GPS receivers are not sufficient for neighboring and highly mobile vehicles. This paper renders two designs, a one-dimensional IR signal-source tracker and a two-dimensional IR signal-source tracker, to estimate the location of a communicating target. By analyzing the strength of the received signal, the relative location of the target is identified once the communication data are received. The realized 1D and 2D IR signal-source tracker can give the precise location, where the repeated tests on the 2D tracker show the given locations with low deviation. Since these two tracker designs are realized with the same IR components in the Dedicated Short-Range Communication (DSRC), the communicating devices, the roadside unit (RSU) and the onboard unit (OBU), can use the 1D or 2D tracker design depending on the application to locate each other, and then to control the radiation direction for saving power, to facilitate the completeness of transactions, and to locate vehicles in V2V applications. In this work, the proposed devices are designed, realized and tested. The experimental results show that these two designs are feasible.

  9. 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.

  10. 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.

  11. Efficient parallelization of short-range molecular dynamics simulations on many-core systems.

    PubMed

    Meyer, R

    2013-11-01

    This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly inhomogeneous systems like nanodevices or nanostructured materials. In the proposed scheme the calculation of the forces and the generation of neighbor lists are divided into small tasks. The tasks are then executed by a thread pool according to a dependent task schedule. This schedule is constructed in such a way that a particle is never accessed by two threads at the same time. Benchmark simulations on a typical 12-core machine show that the described algorithm achieves excellent parallel efficiencies above 80% for different kinds of systems and all numbers of cores. For inhomogeneous systems the speedups are strongly superior to those obtained with spatial decomposition. Further benchmarks were performed on an Intel Xeon Phi coprocessor. These simulations demonstrate that the algorithm scales well to large numbers of cores. PMID:24329381

  12. Efficient parallelization of short-range molecular dynamics simulations on many-core systems

    NASA Astrophysics Data System (ADS)

    Meyer, R.

    2013-11-01

    This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly inhomogeneous systems like nanodevices or nanostructured materials. In the proposed scheme the calculation of the forces and the generation of neighbor lists are divided into small tasks. The tasks are then executed by a thread pool according to a dependent task schedule. This schedule is constructed in such a way that a particle is never accessed by two threads at the same time. Benchmark simulations on a typical 12-core machine show that the described algorithm achieves excellent parallel efficiencies above 80% for different kinds of systems and all numbers of cores. For inhomogeneous systems the speedups are strongly superior to those obtained with spatial decomposition. Further benchmarks were performed on an Intel Xeon Phi coprocessor. These simulations demonstrate that the algorithm scales well to large numbers of cores.

  13. Long-ranged contributions to solvation free energies from theory and short-ranged models.

    PubMed

    Remsing, Richard C; Liu, Shule; Weeks, John D

    2016-03-15

    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

  14. 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.

  15. Range effect on percolation threshold and structural properties for short-range attractive spheres

    NASA Astrophysics Data System (ADS)

    Wei, Jiachen; Xu, Limei; Song, Fan

    2015-01-01

    Percolation or aggregation in colloidal system is important in many fields of science and technology. Using molecular dynamics simulations, we study the percolation behavior for systems consisting of spheres interacting with short-range square-well (SRSW) which mimic colloidal particles, with different interaction ranges. We specifically focus on how the interaction range affects the percolation thresholds in the supercritical region. We find that the contact percolation boundaries are strongly dependent on the interaction ranges of SRSW, especially away from the liquid-liquid critical point. However, varying the interaction ranges of SRSW does not affect much the structure along percolation boundaries especially for low packing fractions. For instance, along the percolation boundary, distributions of coordination number show convergence, and distributions of cluster size are universal for different interaction ranges considered. In addition, either the bond percolation boundaries or isolines of average bond coordination number collapse to those for Baxter sticky model on phase diagram, which confirms the extended law of corresponding states.

  16. 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.

  17. Controlling Short-Range Interactions by Tuning Surface Chemistry in HDPE/Graphene Nanoribbon Nanocomposites.

    PubMed

    Sadeghi, Soheil; Zehtab Yazdi, Alireza; Sundararaj, Uttandaraman

    2015-09-01

    Unique dispersion states of nanoparticles in polymeric matrices have the potential to create composites with enhanced mechanical, thermal, and electrical properties. The present work aims to determine the state of dispersion from the melt-state rheological behavior of nanocomposites based on carbon nanotube and graphene nanoribbon (GNR) nanomaterials. GNRs were synthesized from nitrogen-doped carbon nanotubes via a chemical route using potassium permanganate and some second acids. High-density polyethylene (HDPE)/GNR nanocomposite samples were then prepared through a solution mixing procedure. Different nanocomposite dispersion states were achieved using different GNR synthesis methods providing different surface chemistry, interparticle interactions, and internal compartments. Prolonged relaxation of flow induced molecular orientation was observed due to the presence of both carbon nanotubes and GNRs. Based on the results of this work, due to relatively weak interactions between the polymer and the nanofillers, it is expected that short-range interactions between nanofillers play the key role in the final dispersion state. PMID:26266528

  18. Novel Tests of Short-range Gravitational Physics at Humboldt State University

    NASA Astrophysics Data System (ADS)

    Leopardi, Holly; Baxley, Brandon; Hoyle, C. D.; Richards, Matthew; Shook, David

    2011-11-01

    Due to the incompatibility of the Standard Model and General Relativity (GR), tests of gravity remain at the forefront of experimental physics. There is yet to be a theory that unifies inconsistencies between GR and quantum mechanics; however, some scenarios of String Theory predict more than three spatial dimensions that could alter the gravitational inverse-square law at short distances. Some models also predict unobserved subatomic particles that may cause short-range violations of the Weak Equivalence Principle. At Humboldt State University, undergraduates and faculty are developing an experiment that will test gravitational interactions below the 50-micron distance scale. The experiment will measure the twist of a torsion pendulum as an attractor mass is oscillated nearby in a parallel-plate configuration, providing a time varying torque on the pendulum. The size and distance dependence of the torque variation will provide means to determine deviations from accepted models of gravity on untested distance scales. To observe the twist of the pendulum inside the vacuum chamber, an optical system with nano-radian precision is required. This talk will focus on the current status of the experiment, and the development of an optical system with the required sensitivity.

  19. 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.

  20. 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.

  1. n-p short-range correlations from (p,2p+n) measurements

    NASA Astrophysics Data System (ADS)

    Tang, A.; Watson, J. W.; Alster, J.; Arsyan, G.; Averichev, Y.; Barton, D.; Baturin, V.; Bukhtoyarova, N.; Carroll, A.; Heppelmann, S.; Kawabata, T.; Leksanov, A.; Makdisi, Y.; Malki, A.; Minina, E.; Navon, I.; Nicholson, H.; Ogawa, A.; Panebratsev, Yu.; Piasetzky, E.; Schetkovsky, A.; Shimanskiy, S.; Yoshida, H.; Zhalov, D.

    2000-12-01

    Recently, a new technique for measuring short-range NN correlations in nuclei (NN SRCs) was reported by the E850 collaboration, using data from the EVA spectrometer at the AGS at Brookhaven National Laboratory In this talk, we will report on a larger set of data from new measurement by the collaboration, utilizing the same technique. This technique is based on a very simple kinematic approach. For quasielastic knockout of protons from a nucleus (12C(p,2p) was used for the current work), we can reconstruct the momentum pf of the struck proton in the nucleus before the reaction, from the three momenta of the two detected protons, p1 and p2 and the three momentum of the incident proton, p0:pf=p1+p2-p0 If there are significant n-p SRCs, then we would expect to find a neutron with momentum -pf in coincidence with the two protons, provided pf is larger than the Fermi momentum kF for the nucleus (˜220 MeV/c for 12C). Our results reported here confirm the earlier results from the E850 collaboration.

  2. 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. PMID:27063193

  3. 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. PMID:25019738

  4. Evaluation of 'GLAMEPS'—a proposed multimodel EPS for short range forecasting

    NASA Astrophysics Data System (ADS)

    Iversen, Trond; Deckmyn, Alex; Santos, Carlos; Sattler, Kai; Bremnes, John Bjørnar; Feddersen, Henrik; Frogner, Inger-Lise

    2011-05-01

    Grand Limited Area Model Ensemble Prediction System (GLAMEPS) is prepared for pan-European, short-range probabilistic numerical weather prediction of fine synoptic-scale, quasi-hydrostatic atmospheric flows. Four equally sized ensembles are combined: EuroTEPS, a version of the global ECMWF EPS with European target; AladEPS, a downscaling of EuroTEPS using the ALADIN model; HirEPS_K and HirEPS_S, two ensembles using the HIRLAM model nested into EuroTEPS including 3DVar data-assimilation for two control forecasts. A 52-member GLAMEPS thus samples forecast uncertainty by three analysed initial states combined with 12 singular vector-based perturbations, four different models and the stochastic physics tendencies in EuroTEPS. Over a 7-week test period in winter 2008, GLAMEPS produced better results than ECMWF's EPS with 51 ensemble members. Apart from spatial resolution, the improvement is due to the multimodel combination and to a smaller extent the dedicated EuroTEPS. Ensemble resolution and reliability are both improved. Combining uncalibrated ensembles is seen to produce a better combined ensemble than the best single-model ensemble of the same size, except when one of the single-model ensembles is considerably better than the others. Bayesian Model Averaging improves reliability, but needs further elaboration to account for geographical variations. These conclusions need to be confirmed by long-period evaluations.

  5. 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.

  6. 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.

  7. Collective Light-matter Interactions via Emergent Order in Cold Atoms

    NASA Astrophysics Data System (ADS)

    Greenberg, Joel A.

    Collective behavior in many-body systems, where the dynamics of an individual element depend on the state of the entire ensemble, play an important role in both basic science research and applied technologies. Over the last twenty years, studies of such effects in cold atomic vapors have lead to breakthroughs in areas such as quantum information science and atomic and condensed matter physics. Nevertheless, in order to generate photon-mediated atom-atom coupling strengths that are large enough to produce collective behavior, these studies employ techniques that intrinsically limit their applicability. In this thesis, I describe a novel nonlinear optical process that enables me to overcome these limitations and realize a new regime of collective light-matter interaction. My experiment involves an anisotropic cloud of cold rubidium atoms illuminated by a pair of counterpropagating optical (pump) fields propagating at an angle to the trap's long axis. When the pump beam intensities exceed a threshold value, a collective instability occurs in which new beams of light are generated spontaneously and counterpropagate along the trap's long axis. In order to understand the physical mechanism responsible for this behavior, I study first the system's nonlinear optical response when driven below the instability threshold. I find that the incident optical fields produce an optical lattice that causes the atoms to become spatially organized on the sub-wavelength length scale. This organization corresponds to the formation of an atomic density grating, which effectively couples the involved fields to one another and enables the transfer of energy between them. The loading of atoms into this grating is enhanced by my choice of field polarizations, which simultaneously results in cooling of the atoms from T ˜ 30 muK to T ˜ 3 muK via the Sisyphus effect. As a result, I observe a fifth-order nonlinear susceptibility chi(5)=1.9x10 -12 (m/V)4 that is 7 orders of magnitude larger

  8. 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.

  9. Nanoscale Atomic Displacements Ordering for Enhanced Piezoelectric Properties in Lead-Free ABO3 Ferroelectrics.

    PubMed

    Pramanick, Abhijit; Jørgensen, Mads R V; Diallo, Souleymane O; Christianson, Andrew D; Fernandez-Baca, Jaime A; Hoffmann, Christina; Wang, Xiaoping; Lan, Si; Wang, Xun-Li

    2015-08-01

    In situ synchrotron X-ray diffuse scattering and inelastic neutron scattering measurements from a prototype ABO3 ferroelectric single-crystal are used to elucidate how electric fields along a nonpolar direction can enhance its piezoelectric properties. The central mechanism is found to be a nanoscale ordering of B atom displacements, which induces increased lattice instability and therefore a greater susceptibility to electric-field-induced mechanical deformation. PMID:26076654

  10. The Coulomb interaction in Helium-3: Interplay of strong short-range and weak long-range potentials

    NASA Astrophysics Data System (ADS)

    Kirscher, J.; Gazit, D.

    2016-04-01

    Quantum chromodynamics and the electroweak theory at low energies are prominent instances of the combination of a short-range and a long-range interaction. For the description of light nuclei, the large nucleon-nucleon scattering lengths produced by the strong interaction, and the reduction of the weak interaction to the Coulomb potential, play a crucial role. Helium-3 is the first bound nucleus comprised of more than one proton in which this combination of forces can be studied. We demonstrate a proper renormalization of Helium-3 using the pionless effective field theory as the formal representation of the nuclear regime as strongly interacting fermions. The theory is found consistent at leading and next-to-leading order without isospin-symmetry-breaking 3-nucleon interactions and a non-perturbative treatment of the Coulomb interaction. The conclusion highlights the significance of the regularization method since a comparison to previous work is contradictory if the difference in those methods is not considered. With a perturbative Coulomb interaction, as suggested by dimensional analysis, we find the Helium-3 system properly renormalized, too. For both treatments, renormalization-scheme independence of the effective field theory is demonstrated by regulating the potential and a variation of the associated cutoff.

  11. Short-range CDW correlations in CoxNbSe2 and MnxNbSe2

    NASA Astrophysics Data System (ADS)

    Lee, J.; di Capua, R.; Karapetrov, G.; Nishizaki, T.; Kobayashi, N.; Iavarone, M.

    2013-03-01

    Scanning tunneling microscopy and transport measurements were performed on NbSe2 and Co- and Mn-intercalated NbSe2 single crystals, to address the effect of disorder induced on the CDW structure by the effect of intercalation. We find that the CDW transition at TCDW=33 K in the pure compound is accompanied by a small anomaly in resistivity, a strong non linearity of the Hall effect, with a sign reversal occurring at CDW transition, and high magnetoresistance in agreement with previous reports. The system remains metallic below the CDW transition. Upon increase of disorder the anomaly in resistivity moves at a lower temperature and eventually disappears for higher doping levels. By increasing the disorder also the magnetoresistance decreases and the Hall effect does not show any sign reversal. STM measurements on a pure sample reveal that CDW phase is long-range ordered below TCDW. For doped samples short range CDW correlations dominate a large part of the phase diagram.

  12. Translationally invariant calculations of form factors, nucleon densities and momentum distributions for finite nuclei with short-range correlations included

    NASA Astrophysics Data System (ADS)

    Shebeko, A. V.; Grigorov, P. A.; Iurasov, V. S.

    2012-11-01

    Relying upon our previous treatment of the density matrices for nuclei (in general, nonrelativistic self-bound finite systems) we are studying a combined effect of center-of-mass motion and short-range nucleon-nucleon correlations on the nucleon density and momentum distributions in light nuclei (4He and 16O). Their intrinsic ground-state wave functions are constructed in the so-called fixed center-of-mass approximation, starting with mean-field Slater determinants modified by some correlator ( e.g., after Jastrow or Villars). We develop the formalism based upon the Cartesian or boson representation, in which the coordinate and momentum operators are linear combinations of the creation and annihilation operators for oscillatory quanta in the three different space directions, and get the own "Tassie-Barker" factors for each distribution and point out other model-independent results. After this separation of the center-of-mass motion effects we propose additional analytic means in order to simplify the subsequent calculations ( e.g., within the Jastrow approach or the unitary correlation operator method). The charge form factors, densities and momentum distributions of 4He and 16O evaluated by using the well-known cluster expansions are compared with data, our exact (numerical) results and microscopic calculations.

  13. 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.

  14. Effect of annealing on atomic ordering of amorphous ZrTaTiNbSi alloy

    NASA Astrophysics Data System (ADS)

    Yang, Tsung-Han; Huang, Rong-Tang; Wu, Cheng-An; Chen, Fu-Rong; Gan, Jon-Yiew; Yeh, Jien-Wei; Narayan, Jagdish

    2009-12-01

    In this letter, we have reported on initial stages of atomic ordering in ZrTaTiNbSi amorphous films during annealing. The atomic ordering and structure evolution were studied in Zr17Ta16Ti19Nb22Si26 amorphous films as a function of annealing temperature in the temperature range from 473 to 1173 K. Up to annealing temperature of 1173 K, the films retained amorphous structure, but the degree of disorder is increased with the increase in temperature. The formation of Si-M covalent bonds, which contributed to the local atomic arrangement, occurred in the initial stages of ordering. The bonding reactions between Si and other metal species explain the anomalous structural changes which were observed in x-ray diffraction and transmission electron microscopy. We discuss the stages of phase transformation for amorphous films as a function of annealing temperature. From these results, we propose that annealing leads to formation of random Si-M4 tetrahedron, and two observed rings, a first and second in the electron diffraction patterns compared to M-M and Si-M bond length, respectively.

  15. Short range structure of hadron and nuclear wave functions at high x

    SciTech Connect

    Hoyer, P.; Brodsky, S.J.

    1990-11-01

    We discuss the short-range structure of hadronic and nuclear wave functions expected in QCD. In addition to the extrinsic'' contributions associated with radiation from single partons, there is an intrinsic'' hardness of the high-mass fluctuations of the wave function due to the spatial overlap of two or more partons. We argue that intrinsically-hard partons, having large mass and/or large transverse momentum, will dominate in the region of large Feynman x{sub F}. Their rescattering in nuclear targets is expected to be larger than for extrinsically-hard partons, leading to a suppressed production cross section for hadrons scattering on heavy nuclei. Experimental evidence for this exists for open chars. J/{psi}, and {gamma} production at large x{sub F}. The effects of intrinsic hardness may be particularly striking in nuclear wave functions, where the overlap of partons belonging to different nucleons can give rise to cumulative (x > 1) phenomena. The data on backward cumulative particle production from nuclei supports the existence of an intrinsically-hard component in nuclear wave functions. Partons at large x{sub F} may also be associated with the enhanced subthreshold production of particles observed in hadron-nucleus and nucleus-nucleus collisions. We discuss the evidence for anomalies in the large angle pp {yields} pp cross section near the charm threshold. Arguments are presented that chromium states may bind to nuclei through the QCD Van der Waals force. This would lead to a striking signal in charm production near threshold. 49 refs., 7 figs.

  16. 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.

  17. 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

  18. Spectral EMG changes in vastus medialis muscle following short range of motion isokinetic training.

    PubMed

    Barak, Yaron; Ayalon, Moshe; Dvir, Zeevi

    2006-10-01

    This study was aimed at exploring the carryover effect of short range of motion (RoM) isokinetic conditioning on vastus medialis (VM) motor unit recruitment (MUR) across the full RoM. Fifty-five women were randomly assigned to one of four groups: G1 (n = 14) and G2 (n = 14) trained concentrically at 30 and 90 degrees /s, respectively whereas G3 (n = 13) and G4 (n = 14) trained similarly but using the eccentric mode. All 4 groups trained within 30-60 degrees of knee flexion. The training protocol consisted of 4 sets of 10 maximal repetitions, 3 times a week for 6 weeks. sEMG was recorded from the VM for analysis of mean frequency of the EMG power spectrum prior to the training period and 2 days after its termination. The EMG assessments took place during dynamic contractions within 3 angular RoM's: 85-60 degrees (R1), 60-30 degrees (R2) and 30-5 degrees (R3). In addition MUR was evaluated during isometric contractions at 10 degrees , 45 degrees and 80 degrees . Significant increases were observed in the MUR at R1, R2, and R3 during dynamic contractions as well as in all 3 angles during isometric contractions. These findings applied equally regardless of the mode of contraction and motion speed during training. The fact that MUR increased significantly within untrained RoM's may point out to the potential benefits of short RoM conditioning, particularly in those cases where, during specific phases of rehabilitation, a wider RoM may be contraindicative. PMID:16324851

  19. Are short-range forecasts of precipitation sensitive to AEW-like moist singular vector perturbations?

    NASA Astrophysics Data System (ADS)

    Cornforth, Rosalind J.; Hoskins, Brian J.

    2010-05-01

    Moist singular vectors (MSV) have been applied successfully to predicting mid-latitude storms growing in association with latent heat of condensation. Tropical cyclone sensitivity has also been assessed. There is now considerable interest in its application for singular vector computation in the tropics and tropical perturbations for the ensemble system on a wider basis than targeting tropical cyclones. Extending this approach to more general tropical weather systems, MSVs are evaluated here for understanding African easterly waves (AEWs) and associated rainfall. These are arguably, the tropical systems that exhibit dynamical organization in a manner that is most similar to extra-tropical weather systems, and yet provide the context for convection that is of great importance both in their development and their subsequent behaviour, in their impact on society and in yielding ideas on the interaction between physics and dynamics in the tropical atmosphere that may have more general relevance. The systematic errors that can plague the forecast skill in this region may be improved by process studies aimed at understanding the fundamental dynamics governing the WAM. Here we present results from a study that aims to use MSVs to build on our recently gained theoretical insights from normal mode studies of the moist AEJ-AEW system, and to learn for practical purposes, whether MSVs targeted on W. Africa could be suitable as perturbations to the ECMWF ensemble system for improving AEW prediction and associated rainfall. First results, without initial moisture perturbations, suggest MSVs may be used advantageously. Perturbations bear similar structural and energy profiles to previous idealised non-linear studies and observations. Strong sensitivities prevail in the metrics and trajectories chosen. The benefits of including initial moisture perturbations are appraised in the light of these findings with emphasis on perturbation growth mechanisms and the sensitivity of short-range

  20. 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.

  1. 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.

  2. 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

    2016-01-01

    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

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

    DOE PAGESBeta

    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-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

  4. 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

  5. 77 FR 36300 - In the Matter of Connecticut Yankee Atomic Power Company; Haddam Neck Plant; Confirmatory Order...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-18

    ... accordance with the NRC E-Filing rule (72 FR 49139, August 28, 2007). The E-Filing process requires... COMMISSION In the Matter of Connecticut Yankee Atomic Power Company; Haddam Neck Plant; Confirmatory Order... Regulatory Commission (NRC or the Commission) issued a Confirmatory Order to Connecticut Yankee Atomic...

  6. 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.

  7. Higher-order elasticity of cubic metals in the embedded-atom method

    NASA Astrophysics Data System (ADS)

    Chantasiriwan, Somchart; Milstein, Frederick

    1996-06-01

    The higher-order elasticity of cubic metals in the framework of the embedded-atom method (EAM) is investigated. Proper groupings of the second- and third-order elastic moduli are shown to yield expressions that depend solely on either the electron density function or the pair potential and which therefore facilitate the construction of EAM models. This formulation also makes evident some important restrictions on the EAM functions and lattice summations. In order for the EAM to model the anharmonic properties accurately, (a) at least the third-nearest-neighbor interactions must be included in the expressions for the cohesive energies of both the body-centered-cubic and face-centered-cubic metals and (b) an electron density function of an inverse power form, as has been employed previously, generally is not valid. Specific EAM models are constructed for a diverse selection of metals (i.e., aluminum, copper, sodium, and molybdenum). These models identically reproduce the respective second- and third-order elastic moduli, as well as the binding energy, atomic volume, unrelaxed vacancy formation energy, and Rose's universal equation of state. They also provide reasonable phonon frequency spectra and structural energy differences

  8. Optical Signatures of Antiferromagnetic Ordering of Fermionic Atoms in an Optical Lattice

    NASA Astrophysics Data System (ADS)

    Cordobes Aguilar, Francisco; Ho, Andrew F.; Ruostekoski, Janne

    2014-07-01

    We show how off-resonant light scattering can provide quantitative information on antiferromagnetic ordering of a two-species fermionic atomic gas in a tightly-confined two-dimensional optical lattice. We analyze the emerging magnetic ordering of atoms in the mean-field and in random phase approximations and show how the many-body static and dynamic correlations, evaluated in the standard Feynman-Dyson perturbation series, can be detected in the scattered light signal. The staggered magnetization reveals itself in the magnetic Bragg peaks of the individual spin components. These magnetic peaks, however, can be considerably suppressed in the absence of a true long-range antiferromagnetic order. The light scattered outside the diffraction orders can be collected by a lens with highly improved signal-to-shot-noise ratio when the diffraction maxima are blocked. The collective and single-particle excitations are identified in the spectrum of the scattered light. We find that the spin-conserving and spin-exchanging atomic transitions convey information on density, longitudinal spin, and transverse spin correlations. The different correlations and scattering processes exhibit characteristic angular distribution profiles for the scattered light, and e.g., the diagnostic signal of transverse spin correlations could be separated from the optical response by the scattering direction, frequency, or polarization. We also analyze the detection accuracy by estimating the number of required measurements, constrained by the heating rate that is determined by inelastic light-scattering events. The imaging technique could be extended to the two-species fermionic states in other regions of the phase diagram where the ground-state properties are still not fully understood.

  9. 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.

  10. Nanometer-range atomic order directly recovered from resonant diffuse scattering

    NASA Astrophysics Data System (ADS)

    Kopecký, M.; Kub, J.; Fábry, J.; Hlinka, J.

    2016-02-01

    The method for three-dimensional imaging with an atomic resolution, based on the measurement of resonant scattering of x rays, is presented and tested on a nanoscale-range occupational ordering of niobium and magnesium ions in the lead magnesium niobate (PbMg1 /3Nb2 /3O3 ) single crystal. X-ray diffuse scattering experiments performed at two wavelengths close to the absorption edge of niobium allowed us to record two 1024 ×1024 ×1024 data sets of scattering intensities covering densely a large volume of the reciprocal space (up to Qmax=8.5 Å-1 , with steps smaller than δ Q =0.05 Å-1 ). It is demonstrated that the anomalous part of the scattering intensity, including both discrete diffraction spots and diffuse scattering, can be employed to reconstruct the local atomic environment around the niobium cation up to the distance of several nanometers.

  11. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2013-02-01

    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)], 10.1063/1.3693908. 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.

  13. 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. PMID:25921499

  14. Rotational excitation of symmetric top molecules by collisions with atoms. II - Infinite order sudden approximation

    NASA Technical Reports Server (NTRS)

    Green, S.

    1979-01-01

    The infinite order sudden (IOS) approximation is extended to rotational excitation of symmetric tops by collisions with atoms. After development of a formalism for 'primitive' or 'one-ended' tops, proper parity-adapted linear combinations describing real rotors are considered and modifications needed for asymmetric rigid rotors are noted. The generalized spectroscopic relaxation cross sections are discussed. IOS calculations for NH3-He and H2CO-He are performed and compared with more accurate calculations, and the IOS approximation is found to provide a reasonably accurate description.

  15. 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

  16. A third-order mode high frequency biosensor with atomic resolution.

    PubMed

    Cai, Hua-Lin; Yang, Yi; Chen, Xiao; Mohammad, Mohammad Ali; Ye, Tian-Xiang; Guo, Cang-Ran; Yi, Li-Ting; Zhou, Chang-Jian; Liu, Jing; Ren, Tian-Ling

    2015-09-15

    An atomic resolution ultra-high sensitivity surface acoustic wave (SAW) biosensor for DNA sequences and cells detection is proposed. Interdigitated transducers (IDTs) fabricated on LiNbO3 substrate achieve a high quality factor (Q) of over 4000 at a frequency of 6.4 GHz (third-order harmonic mode) using an optimized design and process. The biosensor shows excellent linear responses to target DNA in the range from 1 μg/ml to 1 ng/ml with a high sensitivity of 6.7 × 10(-16)g/cm(2)/Hz, hence the difference of a single hybridized DNA base can also be distinguished. With such a high mass resolution, the biosensor is capable of quantitative detection of living cancer cells. The frequency responses of single mouse mammary adenocarcinoma (EMT6) cell and mouse fibroblast (3T3) cell are studied. The interferences in the experiments show insignificant influence on the frequency shift, which verifies the high selectivity of the biosensor. The biosensor is also able to repeat the sensing ability after rough cleaning, therefore cost reduction is achieved from the recycling process in practical applications. The detection limit is defined from the noise analysis of the device, atomic resolution is realized according to the calculation, thereby initiating a potential tool for high-precision medical diagnoses and phenomena observation at the atomic-level. PMID:25913447

  17. Evidence of Short-Range Screening in Shock-Compressed Aluminum Plasma

    SciTech Connect

    Garcia Saiz, E.; Kohanoff, J.; Sahoo, S.; Shabbir Naz, G.; Riley, D.; Gregori, G.; Khattak, F. Y.; Bandyopadhyay, S.; Notley, M.; Weber, R. L.

    2008-08-15

    We have investigated the angular variation in elastic x-ray scattering from a dense, laser-shock-compressed aluminum foil. A comparison of the experiment with simulations using an embedded atom potential in a molecular dynamics simulation shows a significantly better agreement than simulations based on an unscreened one-component plasma model. These data illustrate, experimentally, the importance of screening for the dense plasma static structure factor.

  18. 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

  19. 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

  20. Impact of Short-Range Forces on Defect Production from High-Energy Collisions

    DOE PAGESBeta

    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.; et al

    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

  1. Impact of Short-Range Forces on Defect Production from High-Energy Collisions.

    PubMed

    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

    2016-06-14

    Primary radiation damage formation in solid materials typically involves collisions between atoms that have up to a few hundred keV of kinetic energy. During these collisions, the distance between two colliding atoms can approach 0.05 nm. 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. However, 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. PMID:27110927

  2. Second-order Kohn-Sham perturbation theory: correlation potential for atoms in a cavity.

    PubMed

    Jiang, Hong; Engel, Eberhard

    2005-12-01

    Second-order perturbation theory based on the Kohn-Sham Hamiltonian leads to an implicit density functional for the correlation energy E(c) (MP2), which is explicitly dependent on both occupied and unoccupied Kohn-Sham single-particle orbitals and energies. The corresponding correlation potential v(c) (MP2), which has to be evaluated by the optimized potential method, was found to be divergent in the asymptotic region of atoms, if positive-energy continuum states are included in the calculation [Facco Bonetti et al., Phys. Rev. Lett. 86, 2241 (2001)]. On the other hand, Niquet et al., [J. Chem. Phys. 118, 9504 (2003)] showed that v(c) (MP2) has the same asymptotic -alpha(2r(4)) behavior as the exact correlation potential, if the system under study has a discrete spectrum only. In this work we study v(c) (MP2) for atoms in a spherical cavity within a basis-set-free finite differences approach, ensuring a completely discrete spectrum by requiring hard-wall boundary conditions at the cavity radius. Choosing this radius sufficiently large, one can devise a numerical continuation procedure which allows to normalize v(c) (MP2) consistent with the standard choice v(c)(r-->infinity)=0 for free atoms, without modifying the potential in the chemically relevant region. An important prerequisite for the success of this scheme is the inclusion of very high-energy virtual states. Using this technique, we have calculated v(c) (MP2) for all closed-shell and spherical open-shell atoms up to argon. One finds that v(c) (MP2) reproduces the shell structure of the exact correlation potential very well but consistently overestimates the corresponding shell oscillations. In the case of spin-polarized atoms one observes a strong interrelation between the correlation potentials of the two spin channels, which is completely absent for standard density functionals. However, our results also demonstrate that E(c) (MP2) can only serve as a first step towards the construction of a suitable

  3. Atomic self-ordering in a ring cavity with counterpropagating pump fields

    NASA Astrophysics Data System (ADS)

    Ostermann, S.; Grießer, T.; Ritsch, H.

    2015-02-01

    The collective dynamics of mobile scatterers and light in optical resonators generates complex behaviour. For strong transverse illumination a phase transition from homogeneous to crystalline particle order appears. In contrast, cold particles inside a single-side pumped ring cavity exhibit an instability towards bunching and collective acceleration called collective atomic recoil lasing (CARL). We demonstrate that by driving two orthogonally polarized counterpropagating modes of a ring resonator one realises both cases within one system. As a function of the two pump intensities the corresponding phase diagram exhibits regions in which either a generalized form of self-ordering towards a travelling density wave with constant centre-of-mass velocity or a CARL instability is formed. Time-dependent control of the cavity driving then allows to accelerate or slow down and trap a sufficiently dense beam of linearly polarizable particles.

  4. Interactions between oxygen atoms on Pt(100): implications for ordering during chemisorption and catalysis.

    PubMed

    Liu, Da-Jiang; Evans, James W

    2010-07-12

    We present a DFT analysis of the interactions between chemisorbed oxygen on the unreconstructed (1x1)-Pt(100) surface. These interactions control ordering of O not just for single-species adsorption, but also within O domains during coadsorption and reaction with other species such as CO. The calculations indicate that O prefers bridge sites, as deduced previously. In addition, we find a large difference in the interactions between O at different types of bridge site pairs separated by one lattice constant. There is strong repulsion for pairs separated by a Pt atom, but only a weak interaction for pairs separated by a fourfold hollow site. This finding elucidates the tendency for striped (nx1)-O ordering often observed in chemisorption and reaction studies. PMID:20533492

  5. Crossed-second-order specific-mass isotope shift in the Nickel atom

    NASA Astrophysics Data System (ADS)

    Fonseca, A. L. A.; Bauche, J.

    1983-10-01

    The crossed-second-order corrections to the specific mass shifts of the lowest terms of the two lowest configurations of the Nickel atom are evaluated ab initio in the Multiconfigurational Hartree-Fock scheme. The excitations towards the nf( l=3) empty subshells play the major role. If the contributions obtained are added to the Hartree-Fock values, the discrepancy between experiment and theory for the 3 d 8 4 s 2-3 d 9 4 s (virtual) transition is only reduced by one third. As concerns the differences between the specific shifts of the five Russell-Saunders terms of 3 d 8 4 s 2, the crossed-second-order contributions are predicted to be practically as large as the Hartree-Fock values, which makes the total definitely measurable.

  6. 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.

  7. 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.

  8. 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...

  9. 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.

  10. Order and disorder in quaternary atomic laminates from first-principles calculations.

    PubMed

    Dahlqvist, Martin; Rosen, Johanna

    2015-12-21

    We report on the phase stability of chemically ordered and disordered quaternary MAX phases - TiMAlC, TiM2AlC2, MTi2AlC2, and Ti2M2AlC3 where M = Zr, Hf (group IV), M = V, Nb, Ta (group V), and M = Cr, Mo, W (group VI). At 0 K, layered chemically ordered structures are predicted to be stable for M from groups V and VI. By taking into account the configurational entropy, an order-disorder temperature Tdisorder can be estimated. TiM2AlC2 (M = Cr, Mo, W) and Ti2M2AlC3 (M = Mo, W) are found with Tdisorder > 1773 K and are hence predicted to be ordered at the typical bulk synthesis temperature of 1773 K. Other ordered phases, even though metastable at elevated temperatures, may be synthesized by non-equilibrium methods such as thin film growth. Furthermore, phases predicted not to be stable in any form at 0 K can be stabilized at higher temperatures in a disordered form, being the case for group IV, for MTi2AlC2 (M = V, Cr, Mo), and for Ti2M2AlC3 (M = V, Ta). The stability of the layered ordered structures with M from group VI can primarily be explained by Ti breaking the energetically unfavorable stacking of M and C where M is surrounded by C in a face-centered cubic configuration, and by M having a larger electronegativity than Al resulting in a fewer electrons available for populating antibonding Al-Al orbitals. The results show that these chemically ordered quaternary MAX phases allow for new elemental combinations in MAX phases, which can be used to add new properties to this family of atomic laminates and in turn prospects for tuning these properties. PMID:26565395

  11. 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.

  12. Transitions from order to disorder in multiple dark and multiple dark-bright soliton atomic clouds

    DOE PAGESBeta

    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

  13. The influence of atomic ordering on strain relaxation during the growth of metamorphic solar cells

    NASA Astrophysics Data System (ADS)

    Norman, A. G.; France, R. M.; McMahon, W. E.; Geisz, J. F.; Romero, M. J.

    2013-11-01

    The occurrence of single variant CuPtB ordering during growth of InGaP graded buffer layer structures on offcut (001) GaAs substrates for inverted metamorphic solar cells is found to have a strong influence on strain relaxation mechanisms. Since the surface-induced CuPtB ordering is metastable in the bulk of the material, a strong preference is observed for the nucleation and glide of 60° type misfit dislocations with Burgers vectors that introduce an antiphase boundary into the ordered structure. This results in an overall epitaxial layer tilt in the opposite sense to that normally observed for the direction of substrate offcut. Furthermore, in InGaP buffer layers graded to InP, a switch in the dislocation glide plane preference back to that normally observed for the direction of substrate offcut is observed as the degree of atomic ordering falls below a critical value. This results in the nucleation and glide of new misfit dislocations resulting in an increase in the threading dislocation density that is found to have a deleterious effect on device efficiency. Understanding the materials science behind this behavior will enable the engineering of more effective, lower threading dislocation density strain relief buffer layers resulting in improved performance of subsequently grown devices.

  14. 77 FR 12087 - Atomic Safety and Licensing Board Panel; Strata Energy, Inc.; Memorandum and Order (Notice of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-28

    ... proceeding. See ; Establishment of Atomic Safety and Licensing Board, 76 FR 69,295 (Nov. 8, 2011). \\*\\ As... Document Access to Sensitive Unclassified Non-Safeguards Information for Contention Preparation, 76 FR 41... COMMISSION Atomic Safety and Licensing Board Panel; Strata Energy, Inc.; Memorandum and Order (Notice...

  15. Phase diagram of the three-dimensional Anderson model for short-range speckle potentials

    NASA Astrophysics Data System (ADS)

    Pasek, M.; Zhao, Z.; Delande, D.; Orso, G.

    2015-11-01

    We investigate the localization properties of atoms moving in a three-dimensional optical lattice in the presence of a disorder potential having the same probability distribution P (V ) as laser speckles, and a spatial correlation length much shorter than the lattice spacing. We find that the disorder-averaged (single-particle) Green's function, calculated via the coherent-potential approximation, is in very good agreement with exact numerics. Using the transfer-matrix method, we compute the phase diagram in the energy-disorder plane and show that its peculiar shape can be understood from the self-consistent theory of localization. In particular, we recover the large asymmetry in the position of the mobility edge for blue and red speckles, which was recently observed numerically for spatially correlated speckle potentials.

  16. 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.

  17. Ordering and site occupancy of D03 ordered Fe3Al-5 at%Cr evaluated by means of atom probe tomography.

    PubMed

    Rademacher, Thomas; Al-Kassab, Talaat; Deges, Johannes; Kirchheim, Reiner

    2011-05-01

    Addition of ternary elements to the D0(3) ordered Fe(3)Al intermetallic phase is a general approach to optimise its mechanical properties. To understand the physical influences of such additions the determination of the probability of site occupancies of these additions on the lattice site and ordering parameters is of high interest. Some common experimental techniques such as X-ray diffraction or Atom Location by Channelling Enhanced Microanalysis (ALCHEMI) are usually applied to explore this interplay. Unfortunately, certain published results are partly inconsistent, imprecise or even contradictory. In this study, these aspects are evaluated systematically by atom probe tomography (APT) and a special data analysis method. Additionally, to account for possible field evaporation effects that can falsify the estimation of site occupancy and induce misinterpretations, APT evaporation sequences were also simulated. As a result, chromium occupies most frequently the next nearest neighbour sites of Al atoms and local ordering parameters could be achieved. PMID:21247699

  18. High-order harmonic generation with Rydberg atoms by using an intense few-cycle pulse

    NASA Astrophysics Data System (ADS)

    Zhai, Zhen; Zhu, Qiren; Chen, Jing; Yan, Zong-Chao; Fu, Panming; Wang, Bingbing

    2011-04-01

    We demonstrate that high-order harmonic generation (HHG) with both high cutoff frequency and high conversion efficiency can be realized by using a Rydberg atom in a few-cycle laser pulse. This is because a Rydberg state has a large electron orbital radius and small binding energy; therefore an electron in the Rydberg state can be ionized easily and accelerated directly toward the core under the interaction of a few-cycle laser pulse, leading to emission of harmonic photons. In this case, the tunneling process of the electron is not involved and, hence, the conversion efficiency and the cutoff frequency of harmonic generation can be higher than that predicted by the conventional three-step model.

  19. Visualizing short-range charge transfer at the interfaces between ferromagnetic and superconducting oxides

    NASA Astrophysics Data System (ADS)

    Chien, Te Yu; Kourkoutis, Lena F.; Chakhalian, Jak; Gray, Benjamin; Kareev, Michael; Guisinger, Nathan P.; Muller, David A.; Freeland, John W.

    2013-08-01

    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 YBa2Cu3O7-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.

  20. 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. PMID:23939385

  1. Phase separation and atomic ordering in indium gallium nitride epitaxial layers

    NASA Astrophysics Data System (ADS)

    Rao, Manu

    Phase separation and atomic ordering were investigated in InGaN layers grown by metalorganic chemical vapor deposition on (0001) sapphire substrates. Transmission electron microscopy (TEM) of InGaN layers during their early stages of growth reveal 2-D quantum rings that form spontaneously. In thick layers at InN contents of 3%, planview TEM images show a random distribution of atomic species and selected area diffraction (SAD) patterns do not exhibit satellite spots continuous to Bragg reflections. InN contents of 12% result in a speckled microstructure and satellites are present in SAD patterns. No satellites are observed along the [0001] direction, implying that phase separation is two-dimensional in nature and may occur on the surface while the layer is growing. These results are indicative of composition modulations lying in the (0001) growth plane. Samples containing InN fractions of between 22 and 34% exhibit microstructures having stronger contrast variations and SAD patterns with satellites further spaced from fundamental reflections. In cross-sectional TEM images, contrast striations oriented along [0001] are present except near the InGaN/GaN interface. The spacing of these striations is comparable to the composition modulation wavelengths calculated from SADPs and decreases with increasing InN content. Similarly, plan view TEM images taken from very thin specimens exhibit a domain structure with well aligned stripes within the domains. Increasing the growth rate from 400nm/h to 900nm/h results in a reduction in the intensity of satellite spots, indicating that the amplitude of composition modulations is reduced. The absence of contrast near the InGaN/GaN interface suggest reduced In incorporation, resulting in the absence of phase separation. Reduced In incorporation is confirmed by high angle angular dark field (HAADF) imaging and energy dispersive x-ray spectroscopy (EDS). X-ray diffraction and photoluminescence data are consistent with the occurrence

  2. 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.

  3. Longitudinal and transverse coupling in infrared gold nanoantenna arrays: long range versus short range interaction regimes.

    PubMed

    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. PMID:21934866

  4. Short-range screening potentials for classical Coulomb fluids: Reanalysis of Monte Carlo sampling and cluster model studies

    NASA Astrophysics Data System (ADS)

    Rosenfeld, Yaakov

    1996-02-01

    Results for the short-range screening potentials of classical Coulomb fluids, which were significantly different from existing theory and from earlier approaches, were obtained by Ichimaru et al. by their analyses of extra long simulations. In a recent paper [Phys. Rev. E 50, 2977 (1994)], Ichimaru, Ogata, and Tsuruta (IOT) summarize these results and attempt to support them with more simulations and with cluster model studies. In this paper I present an alternative analysis of the same data, which is in contradiction with the analyses of Ichimaru et al., as portrayed by IOT. I present an analysis of general axially symmetric clusters that is different from that of IOT and provides insight into the short-range screening potentials of strongly coupled plasmas. In particular, I give an exact mathematical proof that questions the main conclusion of IOT from their cluster model studies [their Eq. (49b)].

  5. The role of atomic ordering on phonon transport in substitutional solid solutions

    NASA Astrophysics Data System (ADS)

    Duda, John Charles

    The past several decades have seen sudden and rapid advances in micro- and nanotechnology. Consequently, a wide array of novel electronic, optical, and magnetic devices have been developed, all sharing one common feature: characteristic lengths scales on the order of a few to hundreds of nanometers. In almost all cases, it is the high density of interfaces that provides the material properties allowing for the purposeful and unique operation for which these devices were designed. However, these material boundaries have a marked impact on the thermal properties of the device as well. While thermal conductivity is often a critical property in modern device design, it frequently remains an afterthought. In many cases, the electrical or optical operating principles of a given device require a specific set of materials be used. As a result, the thermal performance of such a device can only be controlled through packaging techniques. Ultimately, it would be advantageous if the thermal transport properties of a given material system could be independently tuned while keeping the constituent components of the system fixed, a concept that has implications for both current- and next-generation applications. Many random substitutional solid solutions (alloys) will display a tendency to chemically order given the appropriate kinetic and thermodynamic conditions. Such order-disorder transitions result in crystallographic reconfigurations, where the atomic basis, symmetry, and periodicity of the alloy change dramatically. The objective of this work is to demonstrate that through exploitation of chemically-ordered solid-solutions, new strategies to gain control over the thermal conductivities of solid-state material systems are possible. Both non-equilibrium molecular dynamics (NEMD) simulations and harmonic lattice dynamics (LD) calculations will be implemented to achieve this goal. The results of these simulations will show that through the exploitation of chemical ordering

  6. Short-Range Action, Focusing, and Saturation of Nuclear Forces in a Gravitational-Electrodynamic Model of GRT

    NASA Astrophysics Data System (ADS)

    Sukhanova, L. A.; Khlestkov, Yu. A.

    2015-12-01

    An equation for a massive vector field that explains the short-range action of nuclear forces has been obtained via a consistent solution of the Einstein-Maxwell-Lorentz equations in curved spacetime. The nucleus is identified with the throat, whose radius of curvature is adopted as the radius of the nucleus. In this gravitational model the experimentally observed proportionality of the radius of the nucleus to the cubic root of the mass number is obtained.

  7. Short range solvation of proton transfer complexes by 2,2-dimethyl-1,3-dioxane and trioxane

    NASA Astrophysics Data System (ADS)

    Chen, Andy; Schullery, Stephen E.; Scott, Ronald M.

    1994-06-01

    Bifurcated hydrogen bonds are involved in the short range solvation of amines by electron donating solvents. Further, six-membered ring cyclic diethers involve interaction of both oxygens of the diether with the amine proton. We report the expansion of these results to include 2,2-dimethyl-1,3-dioxane and trioxane. The results suggest that the latter is involved in a trifurcated hydrogen bond.

  8. Neutrinoless double {beta}-decay nuclear matrix elements within the SRQRPA with self-consistent short range correlations

    SciTech Connect

    Benes, Petr; Simkovic, Fedor

    2009-11-09

    The nuclear matrix elements M{sup 0v} of the neutrinoless double beta decay (0v{beta}{beta}-decay) are systematically evaluated using the self-consistent renormalized quasiparticle random phase approximation (SRQRPA). The residual interaction and the two-nucleon short-range correlations are derived from the charge-dependent Bonn (CD-Bonn) potential. The importance of further progress in the calculation of the 0v{beta}{beta}-decay nuclear matrix elements is stressed.

  9. Experimental demonstration of ultraviolet pulse broadening in short-range non-line-of-sight communication channels.

    PubMed

    Chen, Gang; Xu, Zhengyuan; Sadler, Brian M

    2010-05-10

    An experimental test-bed using a narrow-pulsed ultraviolet (UV) laser and high-bandwidth photomultiplier tube was set up to characterize pulse broadening effects in short-range non-line-of-sight (NLOS) scattering communication channels. Pulse broadening is reported as a function of the transmitter elevation angle, transmitter beam angle, receiver elevation angle, receiver field-of-view, and transmitter-receiver distance. The results provide insight into the channel bandwidth and achievable communication data rate. PMID:20588903

  10. Short-range plasmonic nanofocusing within submicron regimes facilitates in situ probing and promoting of interfacial reactions.

    PubMed

    Yu, Chen-Chieh; Lin, Keng-Te; Su, Pao-Yun; Wang, En-Yun; Yen, Yu-Ting; Chen, Hsuen-Li

    2016-02-14

    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. PMID:26809318

  11. 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.

  12. 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.

  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. Development of a next generation short range gravity experiment NEWTON-V, using digital microscope

    NASA Astrophysics Data System (ADS)

    Saiba, Shuntaro; Ando, Hiroaki; Hatori, Mirei; Inaba, Shoki; Ninomiya, Kazufumi; Sakuta, Tomomi; Shinozaki, Natsumi; Murata, Jiro; Newton Collaboration

    2014-09-01

    According to a large extra dimensional model, a deviation from Newton's inverse square law is expected at sub-millimeter range. Current NEWTON-IVh project aims to test the inverse-square law at millimeter scale, using a torsion pendulum. In order to examine the gravitational force at around micrometer distances, we are developing the new apparatus NEWTON-V, using a digital microscope. This experiment is going to measure gravity between two wires of around 10 to 100 micrometer, which are separated by distances in the range of 100 micrometer. One wire is used as a cantilever for the force sensing, which motion is measured by a pico-precision displacement sensor. This method was originally developed for the micron precision optical alignment system (OASys) for the PHENIX muon tracking chambers at RHIC, using digital image analysis technique. In this presentation, development status and preliminary results will be reported.

  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. Short-Range Magnetic Correlations and Parimagnetism in RCo2

    SciTech Connect

    Bartolome, F.; Bonilla, C. M.; Herrero-Albillos, J.; Calvo-Almazan, I.; Castan, C.; Weschke, E.; Schmitz, D.; Paudyal, Durga; Mudryk, Yaroslav; Pecharsky, Vitalij; Gschneidner Jr., Karl A.; Stunault, A.; Garcia, L. M.

    2013-12-02

    X-ray circular magnetic dichroism, polarized neutron diffraction, ac susceptibility, and Seebeck effect have been measured for several members of the RCo2 series (R=Ho, Tm, Er) as a function of temperature and applied magnetic field. The experimental results show robust parimagnetism (a general behaviour along the RCo2 series with R being a heavy rare earth ion) and two reversal temperatures in some systems, which is an unexpected result. Polarised neutron diffraction show differences between results obtained on single crystals or polycrystalline ingots. We propose an interpretation of parimagnetic RCo2 as a Griffiths phase of the high temperature, magnetically ordered, amorphous RCo2 phase. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2013

  18. 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.

  19. 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.

  20. 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. PMID:26382339

  1. 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.

  2. Evidence of short-range electron transfer of a redox enzyme on graphene oxide electrodes.

    PubMed

    Martins, Marccus V A; Pereira, Andressa R; Luz, Roberto A S; Iost, Rodrigo M; Crespilho, Frank N

    2014-09-01

    Direct electron transfer (DET) between redox enzymes and electrode surfaces is of growing interest and an important strategy in the development of biofuel cells and biosensors. Among the nanomaterials utilized at electrode/enzyme interfaces to enhance the electronic communication, graphene oxide (GO) has been identified as a highly promising candidate. It is postulated that GO layers decrease the distance between the flavin cofactor (FAD/FADH2) of the glucose oxidase enzyme (GOx) and the electrode surface, though experimental evidence concerning the distance dependence of the rate constant for heterogeneous electron-transfer (k(het)) has not yet been observed. In this work, we report the experimentally observed DET of the GOx enzyme adsorbed on flexible carbon fiber (FCF) electrodes modified with GO (FCF-GO), where the k(het) between GO and electroactive GOx has been measured at a structurally well-defined interface. The curves obtained from the Marcus theory were used to obtain k(het), by using the model proposed by Chidsey. In agreement with experimental data, this model proved to be useful to systematically probe the dependence of electron transfer rates on distance, in order to provide an empirical basis to understand the origin of interfacial DET between GO and GOx. We also demonstrate that the presence of GO at the enzyme/electrode interface diminishes the activation energy by decreasing the distance between the electrode surface and FAD/FADH2. PMID:24676540

  3. Aerial short-range dispersion of volatilized pesticides from an area source.

    PubMed

    Wittich, K-P; Siebers, J

    2002-08-01

    Owing to legal provisions, pesticides have to be applied in such a way that there is no unacceptable influence on human health and the environment at nearby non-target areas. In order to quantify their concentration over and downwind of agricultural target plots of 0.5-1 ha, covered by winter wheat and winter barely, the pesticides lindane, parathion and pirimicarb were applied. Over these plots the post-application volatilization rates of the pesticides were estimated indirectly from vertical concentration, wind and temperature profile measurements using the aerodynamic gradient technique. Philip's advection model was applied to take non-favourable fetch conditions into account. In addition, at a height of 1.6 m downwind of the area source, measurements of the horizontal concentration profile were made up to a distance of about 250 m at roughly 50-m intervals. The monitoring started immediately after spraying in the morning and continued for about 8-10 h, thus providing a worst-case situation because volatilization, and therefore pesticide concentration in the atmospheric surface layer, is then strongest. The concentration of the airborne pesticides over the downwind non-target area was also calculated by Philip's advection model. By using the Nash-Sutcliffe relative-difference measure between observed and calculated concentrations, a goodness-of-fit of 0.97 was obtained over the downwind non-target area, indicating that the Philip model is well suited for dispersion estimates in the near-field range. PMID:12194005

  4. Short-range correlations in single-crystalline CoAl2O4

    NASA Astrophysics Data System (ADS)

    MacDougall, G. J.; Gout, D.; Zarestky, J. L.; Mandrus, D.; Nagler, S. E.

    2010-03-01

    The A-site spinels, where magnetic cations reside on a diamond sublattice, have been receiving much attention in recent years. Order can be frustrated in these systems due to competing nearest and further neighbor exchange, and theoretical studies suggest a number of interesting ground states and a central role for fluctuations. One such spinel, CoAl2O4, has been held up as a material of particular interest. Despite a large Curie-Weiss constant of θ˜104K, only a glassy transition is reported at T^*˜4-10K. Preliminary results on powders has been associated with novel spin liquid behavior, but careful studies of single crystals are needed. To this end, we have grown several large single crystals of CoAl2O4 at ORNL via the floating zone method, and studied them with neutron scattering using the HB-1a beamline at the High Flux Isotope Reactor. We will present the results of these neutron scattering experiments, and discuss both the evolution of magnetic properties in this system and implications for existing theories.

  5. 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.

  6. 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. PMID:26447198

  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. A limited-area short-range ensemble prediction approach for heavy rain events

    NASA Astrophysics Data System (ADS)

    Sattler, K.; Feddersen, H.

    2003-04-01

    Quantitative precipitation forecasts (QPF) from numerical weather prediction (NWP) models exhibit a significant uncertainty, which is usually being addressed by an ensemble approach. The interest of doing this with a high-resolution limited-area NWP model (LAM) has grown during the last years, and there are many different possibilities of designing a LAM ensemble. The design may depend on the application of the ensemble predictions later on. While it is often attempted to address many aspects of severe weather with an ensemble, this work investigates the potential of an ensemble design targeted to rainfall events, that can lead to river flooding. The work is part of the EU funded project "An European Flood Forecasting System" (EFFS), where the LAM ensemble predictions are to be applied in hydrological models in order to assess water levels of European rivers. Two different approaches of creating a small LAM ensemble for rainfall prediction are investigated. They are both based on the Danish Meteorological Institute's (DMI) version of the HIgh Resolution Limited-Area Model DMI-HIRLAM, which receives initial as well as lateral boundary data from the ECMWF ensemble prediction system. The first ensemble is designed to represent an uncertainty in the initial condition (atmospheric state) as well as at the lateral LAM boundaries. It is created on basis of the ensemble prediction system (EPS) from ECMWF, from which a small set of significant members is selected. The significance of a member is estimated on basis of accumulated precipitation over the area of interest, which includes the river basin under consideration. The selected ECMWF-EPS members make up the initial and boundary data for the members of the first LAM ensemble. The second LAM ensemble consists of the variation of the physical representation of the condensation and convection processes within the LAM, where several parameterization schemes available in DMI-HIRLAM are utilized. The two ensemble designs are

  9. Effect of the Local Atomic Ordering on the Stability of β-Spodumene.

    PubMed

    Moore, Radhika L; Haynes, Brian S; Montoya, Alejandro

    2016-07-01

    This study focuses on the relative energetic stability of β-spodumene configurations with different atomic ordering, evaluated using electronic structure methods based on static periodic density functional theory. We found that β-spodumene configurations with a framework containing exclusively Al-O-Si linkages are energetically the most stable, consistent with the aluminum avoidance principle. A correlation between the interstitial sites occupied by lithium and the stability of the configuration was established: highly stable configurations contain greater proportions of lithium associated with the edges of AlO4 tetrahedrons. The identified low-energy configurations have a band gap of ∼4.8 eV, and similar electronic band structures and densities of states. Both the PBE and PBEsol functionals predict small differences in the relative stabilities of the different configurations of β-spodumene. However, only PBEsol is able to reproduce the experimentally observed stability differences between α-spodumene and β-spodumene. β-Spodumene is the preferred polymorph at high temperatures, with the PBEsol inversion temperature from α- to β-spodumene predicted to occur at 1070 K. PMID:27304711

  10. A journey from order to disorder — Atom by atom transformation from graphene to a 2D carbon glass

    NASA Astrophysics Data System (ADS)

    Eder, Franz R.; Kotakoski, Jani; Kaiser, Ute; Meyer, Jannik C.

    2014-02-01

    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.

  11. X-ray study of atomic ordering in self-assembled Ge islands grown on Si(001)

    SciTech Connect

    Malachias, A.; Schuelli, T. U.; Cancado, L. G.; Stoffel, M.; Schmidt, O. G.; Metzger, T. H.; Magalhaes-Paniago, R.

    2005-10-15

    X-ray diffuse scattering in the vicinity of basis-forbidden Bragg reflections were measured for samples with uncapped self-assembled Ge islands epitaxially grown on Si(001). Our results provide evidence of atomically ordered SiGe domains in both islands and wetting layer. The modeling of x-ray profiles reveals the presence of antiphase boundaries separating the ordered domains in a limited region of the islands. X-ray order parameter results were independently supported by Raman measurements.

  12. 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

  13. 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.

  14. 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

  15. Predicted Sensitivity for Tests of Short-range Gravity with a Novel Parallel-plate Torsion Pendulum

    NASA Astrophysics Data System (ADS)

    Richards, Matthew; Baxley, Brandon; Hoyle, C. D.; Leopardi, Holly; Shook, David

    2011-11-01

    The parallel-plate torsion pendulum apparatus at Humboldt State University is designed to test the Weak Equivalence Principle (WEP) and the gravitational inverse-square law (ISL) of General Relativity at unprecedented levels in the sub-millimeter regime. Some versions of String Theory predict additional dimensions that might affect the gravitational inverse-square law (ISL) at sub-millimeter levels. Some models also predict the existence of unobserved subatomic particles, which if exist, could cause a violation in the WEP at short distances. Short-range tests of gravity and the WEP are also instrumental in investigating possible proposed mechanisms that attempt to explain the accelerated expansion of the universe, generally attributed to Dark Energy. The weakness of the gravitational force makes measurement very difficult at small scales. Testing such a minimal force requires highly isolated experimental systems and precise measurement and control instrumentation. Moreover, a dedicated test of the WEP has not been performed below the millimeter scale. This talk will discuss the improved sensitivity that we expect to achieve in short-range gravity tests with respect to previous efforts that employ different experimental configurations.

  16. 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.

  17. 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.

  18. Coarse-grained ions without charges: Reproducing the solvation structure of NaCl in water using short-ranged potentials

    NASA Astrophysics Data System (ADS)

    DeMille, Robert C.; Molinero, Valeria

    2009-07-01

    A coarse-grained model of NaCl in water is presented where the ions are modeled without charge to avoid computationally challenging electrostatics. A monatomic model of water [V. Molinero and E. B. Moore, J. Phys. Chem. B 113, 4008 (2009)] is used as the basis for this coarse-grain approach. The ability of Na+ to disrupt the native tetrahedral arrangement of water molecules, and of Cl- to integrate within this organization, is preserved in this mW-ion model through parametrization focused on water's solvation of these ions. This model successfully reproduces the structural effect of ions on water, referenced to observations from experiments and atomistic molecular dynamics simulations, while using extremely short-ranged potentials. Without Coulomb interactions the model replicates details of the ion-water structure such as distinguishing contact and solvent-separated ion pairs and the free energy barriers between them. The approach of mimicking ionic effects with short-ranged interactions results in performance gains of two orders of magnitude compared to Ewald methods. Explored over a broad range of salt concentration, the model reproduces the solvation structure and trends of diffusion relative to atomistic simulations and experimental results. The functional form of the mW-ion model can be parametrized to represent other electrolytes. With increased computational efficiency and reliable structural fidelity, this model promises to be an asset for accessing significantly longer simulation time scales with an explicit solvent in a coarse-grained system involving, for example, polyelectrolytes such as proteins, nucleic acids, and fuel-cell membranes.

  19. 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.

  20. 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. PMID:26441310

  1. 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. PMID:26383945

  2. 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

  3. 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

    2011-01-01

    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. PMID:21219016

  4. 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. PMID:26866597

  5. Short-Range Temporal Interactions in Sleep; Hippocampal Spike Avalanches Support a Large Milieu of Sequential Activity Including Replay

    PubMed Central

    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. PMID:26866597

  6. Electrokinetic properties of monovalent electrolytes confined in charged nanopores: effect of geometry and ionic short-range correlations.

    PubMed

    Sánchez-Arellano, Enrique; Olivares, Wilmer; Lozada-Cassou, Marcelo; Jiménez-Angeles, Felipe

    2009-02-15

    The electrokinetic properties (such as capillary conductance, electroviscosity, and the streaming potential) are obtained for a restricted primitive model electrolyte confined in a slitlike nanopore made up of two infinite parallel plates and in a cylindrical cavity of infinite extension. The hypernetted chain/mean spherical approximation (HNC/MSA) is used to obtain the equilibrium ionic concentration profiles inside the pores, which in turn are used to calculate the electrokinetic properties via linear hydrodynamic equations. Our results are compared with those obtained via the classical Poisson-Boltzmann (PB) theory. Important quantitative and qualitative effects, attributed to geometry and to the proper consideration of short-range correlations by HNC/MSA, are discussed. PMID:19062031

  7. Reconstruction and rehabilitation of short-range gunshot injury to lower part of face: A systematic approach of three cases.

    PubMed

    Vatsyayan, Ashutosh; Adhyapok, Apurba-Kumar; Debnath, Subhas-Chandra; Malik, Kapil

    2016-08-01

    Gunshot injuries are always known to cause severe morbidity and mortality when head and neck are involved. They vary in morbidity, which can occur in civilian surroundings. The wound largely depends on the type of weapon, mass and velocity of the bullet, and the distance from where it has been shot. Close-range gunshot wounds in the head and neck region can result in devastating aesthetic 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 reconstruction. Here we presented the successful management of three patients shot by short-range pistol with basic life support measures, wound management, reconstruction and rehabilitation. PMID:27578384

  8. Charge transport in two dimensions limited by strong short-range scatterers: Going beyond parabolic dispersion and Born approximation

    NASA Astrophysics Data System (ADS)

    Šopík, Břetislav; Kailasvuori, Janik; Trushin, Maxim

    2014-04-01

    We investigate the conductivity of charge carriers confined to a two-dimensional system with the nonparabolic dispersion kN with N being an arbitrary natural number. A δ-shaped scattering potential is assumed as the major source of disorder. We employ the exact solution of the Lippmann-Schwinger equation to derive an analytical Boltzmann conductivity formula valid for an arbitrary scattering potential strength. The range of applicability of our analytical results is assessed by a numerical study based on the finite size Kubo formula. We find that for any N >1, the conductivity demonstrates a linear dependence on the carrier concentration in the limit of a strong scattering potential strength. This finding agrees with the conductivity measurements performed recently on chirally stacked multilayer graphene where the lowest two bands are nonparabolic and the adsorbed hydrocarbons might act as strong short-range scatterers.

  9. Investigation of proton-proton short-range correlations via the 12C(e,e'pp) reaction.

    PubMed

    Shneor, R; Monaghan, P; Subedi, R; Anderson, B D; Aniol, K; Annand, J; Arrington, J; Benaoum, H; Benmokhtar, F; Bertin, P; Bertozzi, W; Boeglin, W; Chen, J P; Choi, Seonho; Chudakov, E; Cisbani, E; Craver, B; de Jager, C W; Feuerbach, R J; Frullani, S; Garibaldi, F; Gayou, O; Gilad, S; Gilman, R; Glamazdin, O; Gomez, J; Hansen, J-O; Higinbotham, D W; Holmstrom, T; Ibrahim, H; Igarashi, R; Jans, E; Jiang, X; Jiang, Y; Kaufman, L; Kelleher, A; Kolarkar, A; Kuchina, E; Kumbartzki, G; LeRose, J J; Lindgren, R; Liyanage, N; Margaziotis, D J; Markowitz, P; Marrone, S; Mazouz, M; Meekins, D; Michaels, R; Moffit, B; Nanda, S; Perdrisat, C F; Piasetzky, E; Potokar, M; Punjabi, V; Qiang, Y; Reinhold, J; Reitz, B; Ron, G; Rosner, G; Saha, A; Sawatzky, B; Shahinyan, A; Sirca, S; Slifer, K; Solvignon, P; Sulkosky, V; Thompson, N; Ulmer, P E; Urciuoli, G M; Voutier, E; Wang, K; Watson, J W; Weinstein, L B; Wojtsekhowski, B; Wood, S; Yao, H; Zheng, X; Zhu, L

    2007-08-17

    We investigated simultaneously the 12C(e,e'p) and 12C(e,e'pp) reactions at Q2=2 (GeV/c)2, xB=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. PMID:17930888

  10. 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.

  11. Performance analysis of short-range NLOS UV communication system using Monte Carlo simulation based on measured channel parameters.

    PubMed

    Luo, Pengfei; Zhang, Min; Han, Dahai; Li, Qing

    2012-10-01

    The research presented in this paper is a performance study of short-range NLOS ultraviolet (UV) communication system, using a Monte-Carlo-based system-level model, in which the channel parameters, such as the path loss and the background noise are experimentally measured using an outdoor UV communication test-bed. Various transceiver geometry and background noise condition are considered. Furthermore, 4 modulation schemes are compared, which provides an insight into the performance prediction and the system trade-offs among the path loss, the optical power, the distance, the link geometry, the bit rate and the bit error rate. Finally, advices are given on UV system design and performance improvement. PMID:23188312

  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. 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

    2015-01-01

    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

  14. 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

  15. 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.

  16. 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

    2016-01-01

    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

  17. Coherence effects in scattering order expansion of light by atomic clouds.

    PubMed

    Rouabah, Mohamed-Taha; Samoylova, Marina; Bachelard, Romain; Courteille, Philippe W; Kaiser, Robin; Piovella, Nicola

    2014-05-01

    We interpret cooperative scattering by a collection of cold atoms as a multiple-scattering process. Starting from microscopic equations describing the response of N atoms to a probe light beam, we represent the total scattered field as an infinite series of multiple-scattering events. As an application of the method, we obtain analytical expressions of the coherent intensity in the double-scattering approximation for Gaussian density profiles. In particular, we quantify the contributions of coherent backward and forward scattering. PMID:24979635

  18. 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. PMID:25300009

  19. 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. PMID:23181323

  20. Probing Membrane Order and Topography in Supported Lipid Bilayers by Combined Polarized Total Internal Reflection Fluorescence-Atomic Force Microscopy

    PubMed Central

    Oreopoulos, John; Yip, Christopher M.

    2009-01-01

    Determining the local structure, dynamics, and conformational requirements for protein-protein and protein-lipid interactions in membranes is critical to understanding biological processes ranging from signaling to the translocating and membranolytic action of antimicrobial peptides. We report here the application of a combined polarized total internal reflection fluorescence microscopy-in situ atomic force microscopy platform. This platform's ability to image membrane orientational order was demonstrated on DOPC/DSPC/cholesterol model membranes containing the fluorescent membrane probe, DiI-C20 or BODIPY-PC. Spatially resolved order parameters and fluorophore tilt angles extracted from the polarized total internal reflection fluorescence microscopy images were in good agreement with the topographical details resolved by in situ atomic force microscopy, portending use of this technique for high-resolution characterization of membrane domain structures and peptide-membrane interactions. PMID:19254557

  1. Nanoscale structural order from the atomic pair distribution function (PDF): There's plenty of room in the middle

    NASA Astrophysics Data System (ADS)

    Billinge, Simon J. L.

    2008-07-01

    Emerging materials of scientific and technological interest are generally complex and often nanostructured: they have atomic orderings that extend on nanometer length-scales. These can be discrete nanoparticles; bulk crystals with nanoscale chemical or displacive order within them; mesoporous materials that are bulk materials containing nanoscale holes; and nanocomposites that are intimate heterogeneous mixtures of nano-sized constituents. As always, a quantitative knowledge of the atomic structure within these materials is a prerequisite to understanding and engineering their properties. Traditional crystallographic methods for obtaining this information break down at the nanoscale, sometimes referred to as “the nanostructure problem”. We describe here some emerging methods for studying nanoscale structure. We present some examples of recent successes. Finally, we discuss future directions and opportunities and draw attention to limitations and potential problems.

  2. CuPt atomic ordering and band gap reduction in AlInP for green LED applications

    NASA Astrophysics Data System (ADS)

    Beaton, Daniel; Mukherjee, Kunal; Alberi, Kirstin; Christian, Theresa; Mascarenhas, Angelo; Fitzgerald, Eugene

    2013-03-01

    Efficient light emission in the wavelength range of 575-595nm (green/amber) is necessary for high colour rendering index (CRI) colour-mixed white LED light sources. The present lack of efficient light emitters in this range is known as the 'green gap'. However, it is possible to achieve efficient green/amber light emission with III-V semiconductor alloys, specifically by using direct band gap AlInP alloys, where carrier confinement for device application can result from the band off-set between ordered and disordered material of the same composition. The greater size discrepancy between Al and In results in higher degrees of CuPt atomic ordering and larger band gap reductions than typically reported for other order materials, such as GaInP. Samples are grown lattice matched to InGaAs graded buffer layers grown on GaAs substrates and atomic ordering is observed by TEM. Photoluminescence and modulated reflectance characterization are used to quantify the band gap shift as a function of order parameter.

  3. In situ study of atomic-vacancy ordering in stoichiometric titanium monoxide by the magnetic susceptibility

    NASA Astrophysics Data System (ADS)

    Valeeva, A. A.; Nazarova, S. Z.; Rempel, A. A.

    2015-02-01

    An in situ temperature study of a variation in the degree of long-range order in stoichiometric titanium monoxide has been performed by the magnetic susceptibility method. The measurements have been performed on annealed and quenched titanium monoxide in the temperature range from 300 to 1200 K. It has been found that the degree of long-range order depends on the regime and temperature of annealing of the initial samples. The degree of long-range order in the process of measurement of the magnetic susceptibility varies from 0.21 to 1.00; the larger the degree of long-range order, the smaller the magnetic susceptibility. Furthermore, the long-range order parameter decreases with an increase in the temperature above 1200 K and vanishes sharply at the order-disorder transition temperature. According to the results of this work, the critical long-range order parameter is 0.21 and the temperature of the nonequilibrium disorder-order transition is about 1073 K.

  4. Short-ranged structural rearrangement and enhancement of mechanical properties of organosilicate glasses induced by ultraviolet radiation

    SciTech Connect

    Iacopi, F.; Travaly, Y.; Eyckens, B.; Waldfried, C.; Abell, T.; Guyer, E.P.; Gage, D.M.; Dauskardt, R.H.; Sajavaara, T.; Houthoofd, K.; Grobet, P.; Jacobs, P.; Maex, K.

    2006-03-01

    The short-ranged bonding structure of organosilicate glasses can vary to a great extent and is directly linked to the mechanical properties of the thin film material. The combined action of ultraviolet (UV) radiation and thermal activation is shown to generate a pronounced rearrangement in the bonding structure of thin organosilicate glass films involving no significant compositional change or film densification. Nuclear magnetic resonance spectroscopy indicates loss of -OH groups and an increase of the degree of cross-linking of the organosilicate matrix for UV-treated films. Fourier transform infrared spectroscopy shows a pronounced enhancement of the Si-O-Si network bond structure, indicating the formation of more energetically stable silica bonds. Investigation with x-ray reflectivity and ellipsometric porosimetry indicated only minor film densification. As a consequence, the mechanical properties of microporous organosilicate dielectric films are substantially enhanced while preserving the organosilicate nature and pristine porosity of the films. UV-treated films show an increase in elastic modulus and hardness of more than 40%, and a similar improvement in fracture energy compared to untreated films. A minor increase in material dielectric constant from 3.0 to 3.15 was observed after UV treatment. This mechanism is of high relevance for the application of organosilicate glasses as dielectric materials for microelectronics interconnects, for which a high mechanical stability and a low dielectric constant are both essential film requirements.

  5. Short-range remote spectral sensor using mid-infrared semiconductor lasers with orthogonal code-division multiplexing approach

    NASA Astrophysics Data System (ADS)

    Morbi, Zulfikar; Ho, D. B.; Ren, H.-W.; Le, Han Q.; Pei, Shin Shem

    2002-09-01

    Demonstration of short-range multispectral remote sensing, using 3 to 4-micrometers mid- infrared Sb semiconductor lasers based on code-division multiplexing (CDM) architecture, is described. The system is built on a principle similar to intensity- modulated/direct-detection optical-CDMA for communications, but adapted for sensing with synchronous, orthogonal codes to distinguish different wavelength channels with zero interchannel correlation. The concept is scalable for any number of channels, and experiments with a two-wavelength system are conducted. The CDM-signal processing yielded a white-Gaussian-like system noise that is found to be near the theoretical level limited by the detector fundamental intrinsic noise. With sub-mW transmitter average power, the system was able to detect an open-air acetylene gas leak of 10-2 STP ft3/hr from 10-m away with time-varying, random, noncooperative backscatters. A similar experiment detected and positively distinguished hydrocarbon oil contaminants on water from bio-organic oils and detergents. Projection for more advanced systems suggests a multi-kilometer-range capability for watt-level transmitters, and hundreds of wavelength channels can also be accommodated for active hyperspectral remote sensing application.

  6. Test of a nonempirical density functional for short-range van der Waals interaction in rare-gas dimers

    NASA Astrophysics Data System (ADS)

    Tao, Jianmin

    2005-03-01

    It is known that the nonempirical generalized gradient approximation (GGA) of Perdew, Burke, and Ernzerhof (PBE) provides a much more realistic description of the short-range part of the van der Waals (vdW) interaction than does the local spin density (LSD) approximation. In the present work, the ability of the higher-level nonempirical meta-GGA of Tao, Perdew, Staroverov, and Scuseria (TPSS) [Phys. Rev. Lett. 91, 146401 (2003)] to describe vdW interaction is tested self-consistently in rare-gas dimers with Z <=36. The one-parameter hybrid version (TPSSh) of the TPSS exchange-correlation functional is also included in this test. Calculations show that both TPSS and TPSSh functionals correctly yield vdW bonds in these dimers and significantly improve the prediction of bond lengths and binding energies over LSD. The rather close agreement of TPSS with PBE for these dimers confirms a principle of the TPSS construction: preservation of the PBE large-gradient behavior. Compared with the PBE GGA, TPSS and TPSSh yield a slightly weaker binding. The typically too-long bond lengths and too-small binding energies of TPSS meta-GGA suggest the need for some long-range vdW interaction correction which is discussed.

  7. Advanced nuclear magnetic resonance lanthanide probe analyses of short-range conformational interrelations controlling ribonucleic acid structures.

    PubMed

    Yokoyama, S; Inagaki, F; Miyazawa, T

    1981-05-12

    An advanced method was developed for lanthanide-probe analyses of the conformations of flexible biomolecules such as nucleotides. The new method is to determine structure parameters (such as internal-rotation angles) and population parameters for local conformational equilibria of flexible sites, together with standard deviations of these parameters. As the prominent advantage of this method, the interrelations among local conformations of flexible sites may be quantitatively elucidated from the experimental data of lanthanide-induced shifts and relaxations and vicinal coupling constants. As a structural unit of ribonucleic acids, the molecular conformations and conformational equilibria of uridine 3'-monophosphate in aqueous solution were analyzed. The stable local conformers about the C3'-O3' bond are the G+ (phi' = 281 +/- 11 degrees) and G- (phi' = 211 +/- 8 degrees) forms. The internal rotation about the C3'-O3' bond and the ribose-ring puckering are interrelated; 97 +/- 5% of the C3'-endo ribose ring is associated with the G- form while 70 +/- 22% o the C2'-endo ribose ring is associated with the G+ form. An interdependency also exists between the internal rotation about the C4'-C5' bond and the ribose-ring puckering. These short-range conformational interrelations are probably important in controlling the dynamic aspects of ribonucleic acid structures. PMID:6166319

  8. Thermophysical properties of gases, liquids, and solids composed of particles interacting with a short-range attractive potential.

    PubMed

    Hess, S; Kröger, M

    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. PMID:11461234

  9. 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.

  10. 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.

  11. Symmetric tensor networks and practical simulation algorithms to sharply identify classes of quantum phases distinguishable by short-range physics

    NASA Astrophysics Data System (ADS)

    Ran, Ying; Jiang, Shenghan

    Phases of matter are sharply defined in the thermodynamic limit. One major challenge of accurately simulating quantum phase diagrams of interacting quantum systems is due to the fact that numerical simulations usually deal with the energy density, a local property of quantum wavefunctions, while identifying different quantum phases generally rely on long-range physics. In this paper we construct generic fully symmetric quantum wavefunctions under certain assumptions using a type of tensor networks: projected entangled pair states, and provide practical simulation algorithms based on them. We find that quantum phases can be organized into crude classes distinguished by short-range physics, which is related to the fractionalization of both on-site symmetries and space-group symmetries. Consequently, our simulation algorithms, which are useful to study long-range physics as well, are expected to be able to sharply determine crude classes in interacting quantum systems efficiently. Examples of these crude classes are demonstrated in half-integer quantum spin systems on the kagome lattice. Limitations and generalizations of our results are discussed. The Alfred P. Sloan fellowship and National Science Foundation under Grant No. DMR-1151440.

  12. 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.

  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. Single-chip fully integrated direct-modulation CMOS RF transmitters for short-range wireless applications.

    PubMed

    El-Desouki, Munir M; Qasim, Syed Manzoor; BenSaleh, Mohammed; Deen, M Jamal

    2013-01-01

    Ultra-low power radio frequency (RF) transceivers used in short-range application such as wireless sensor networks (WSNs) require efficient, reliable and fully integrated transmitter architectures with minimal building blocks. This paper presents the design, implementation and performance evaluation of single-chip, fully integrated 2.4 GHz and 433 MHz RF transmitters using direct-modulation power voltage-controlled oscillators (PVCOs) in addition to a 2.0 GHz phase-locked loop (PLL) based transmitter. All three RF transmitters have been fabricated in a standard mixed-signal CMOS 0.18 µm technology. Measurement results of the 2.4 GHz transmitter show an improvement in drain efficiency from 27% to 36%. The 2.4 GHz and 433 MHz transmitters deliver an output power of 8 dBm with a phase noise of -122 dBc/Hz at 1 MHz offset, while drawing 15.4 mA of current and an output power of 6.5 dBm with a phase noise of -120 dBc/Hz at 1 MHz offset, while drawing 20.8 mA of current from 1.5 V power supplies, respectively. The PLL transmitter delivers an output power of 9 mW with a locking range of 128 MHz and consumes 26 mA from 1.8 V power supply. The experimental results demonstrate that the RF transmitters can be efficiently used in low power WSN applications. PMID:23917260

  15. Exciton interaction in molecular beacons: a sensitive sensor for short range modifications of the nucleic acid structure

    PubMed Central

    Bernacchi, Serena; Mély, Yves

    2001-01-01

    Molecular beacons are hairpin-shaped, single-stranded oligonucleotides constituting sensitive fluorescent DNA probes widely used to report the presence of specific nucleic acids. In its closed form the stem of the hairpin holds the fluorophore covalently attached to one end, close to the quencher, which is covalently attached to the other end. Here we report that in the closed form the fluorophore and the quencher form a ground state intramolecular heterodimer whose spectral properties can be described by exciton theory. Formation of the heterodimers was found to be poorly sensitive to the stem sequence, the respective positions of the dyes and the nature of the nucleic acid (DNA or RNA). The heterodimer allows strong coupling between the transition dipoles of the two chromophores, leading to dramatic changes in the absorption spectrum that are not compatible with a Förster-type fluorescence resonance energy transfer (FRET) mechanism. The excitonic heterodimer and its associated absorption spectrum are extremely sensitive to the orientation of and distance between the dyes. Accordingly, the application of molecular beacons can be extended to monitoring short range modifications of the stem structure. Moreover, the excitonic interaction was also found to operate for doubly end-labeled duplexes. PMID:11433038

  16. Exciton interaction in molecular beacons: a sensitive sensor for short range modifications of the nucleic acid structure.

    PubMed

    Bernacchi, S; Mély, Y

    2001-07-01

    Molecular beacons are hairpin-shaped, single-stranded oligonucleotides constituting sensitive fluorescent DNA probes widely used to report the presence of specific nucleic acids. In its closed form the stem of the hairpin holds the fluorophore covalently attached to one end, close to the quencher, which is covalently attached to the other end. Here we report that in the closed form the fluorophore and the quencher form a ground state intramolecular heterodimer whose spectral properties can be described by exciton theory. Formation of the heterodimers was found to be poorly sensitive to the stem sequence, the respective positions of the dyes and the nature of the nucleic acid (DNA or RNA). The heterodimer allows strong coupling between the transition dipoles of the two chromophores, leading to dramatic changes in the absorption spectrum that are not compatible with a Förster-type fluorescence resonance energy transfer (FRET) mechanism. The excitonic heterodimer and its associated absorption spectrum are extremely sensitive to the orientation of and distance between the dyes. Accordingly, the application of molecular beacons can be extended to monitoring short range modifications of the stem structure. Moreover, the excitonic interaction was also found to operate for doubly end-labeled duplexes. PMID:11433038

  17. Structural models for covalent non-oxidic glasses: Atomic distribution and local order in CdGeAs2-xPx glasses studied by use of 31P and 113Cd spin-echo and 31-113Cd spin-echo double-resonance NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Franke, Deanna; Maxwell, Robert; Lathrop, David; Banks, Kesha; Eckert, Hellmut

    1992-10-01

    The structure of glasses in the system CdGeAs2-xPx is discussed on the basis of complementary solid-state NMR experiments, including 31P and 113Cd magic-angle spinning (MAS) and spin-echo techniques, as well as 31-113Cd spin-echo double resonance (SEDOR) NMR. Computer simulations of atomic distribution models and experimental studies on crystalline model systems are used to quantify the results. The analysis reveals striking differences in the short-range order between the glassy and the stoichiometrically analogous crystalline materials. The structure of glasses in the system CdGeAs2-xPx is characterized by the presence of a substantial fraction of homopolar pnictogen-pnictogen bonds and by a distribution of cadmium relative to phosphorus that is close to random. These results lend credence to the bond-switching model invoked for the structural description of amorphous tetrahedral semiconductors.

  18. 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.

  19. 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.

  20. Dynamic off-centering of Cr3+ ions and short-range magneto-electric clusters in CdCr2S4

    SciTech Connect

    Oliveira, Goncalo; Pereira, Andre; Lopes, Armandina; Amaral, Joao; Moreira Dos Santos, Antonio F; Ren, Yang; Mendonca, Tania; Sousa, C T; Amaral, Vitor; Correa, Joao; Araujo, Joao Pedro

    2012-01-01

    The cubic spinel CdCr2S4 gained recently a vivid interest, given the relevance of relaxor-like dielectric behavior in its paramagnetic phase. By a singular combination of local probe techniques, namely, pair distribution function and perturbed angular correlation, we firmly establish that the Cr ion plays the central key role on this exotic phenomenon, namely, through a dynamic off-centering displacement of its coordination sphere. We further show that this off-centering of the magnetic Cr ion gives rise to a peculiar entanglement between the polar and magnetic degrees of freedom, stabilizing, in the paramagnetic phase, short-range magnetic clusters, clearly seen in ultralow-field susceptibility measurements. Moreover, the Landau theory is here used to demonstrate that a linear coupling between the magnetic and polar order parameters is sufficient to justify the appearance of magnetic cluster in the paramagnetic phase of this compound. These results open insights on the hotly debated magnetic and polar interaction, setting a step forward in the reinterpretation of the coupling of different physical degrees of freedom.

  1. 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.

  2. Exchange effects and second-order Born corrections in laser-assisted (e ,2 e ) collisions with helium atoms

    NASA Astrophysics Data System (ADS)

    Ajana, I.; Makhoute, A.; Khalil, D.; Chaddou, S.

    2015-04-01

    The triple differential cross section for laser-assisted ionization of a helium target by slow electrons is analyzed within the framework of the second Born approximation. We evaluate the S -matrix elements using Volkov and Coulomb-Volkov wave functions for describing the continuum states of the scattered and the ejected electrons, respectively. The required scattering amplitudes are performed by expanding the atomic wave functions onto a complex-scaled Sturmian basis, which allows us to exactly take into account the contribution of the continuous spectrum to the dressing of the atomic states. Our results have been improved by taking into account exchange effects. Furthermore, the second-order Born correction is seen to be important and significantly affects the magnitudes of the binary and recoil peaks.

  3. Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure

    NASA Astrophysics Data System (ADS)

    Finzel, Kati

    2016-01-01

    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.

  4. 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.

  5. 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.

  6. Short-ranged interaction effects on Z2 topological phase transitions: The perturbative mean-field method

    NASA Astrophysics Data System (ADS)

    Lai, Hsin-Hua; Hung, Hsiang-Hsuan

    2015-02-01

    Time-reversal symmetric topological insulator (TI) is a novel state of matter that a bulk-insulating state carries dissipationless spin transport along the surfaces, embedded by the Z2 topological invariant. In the noninteracting limit, this exotic state has been intensively studied and explored with realistic systems, such as HgTe/(Hg, Cd)Te quantum wells. On the other hand, electronic correlation plays a significant role in many solid-state systems, which further influences topological properties and triggers topological phase transitions. Yet an interacting TI is still an elusive subject and most related analyses rely on the mean-field approximation and numerical simulations. Among the approaches, the mean-field approximation fails to predict the topological phase transition, in particular at intermediate interaction strength without spontaneously breaking symmetry. In this paper, we develop an analytical approach based on a combined perturbative and self-consistent mean-field treatment of interactions that is capable of capturing topological phase transitions beyond either method when used independently. As an illustration of the method, we study the effects of short-ranged interactions on the Z2 TI phase, also known as the quantum spin Hall (QSH) phase, in three generalized versions of the Kane-Mele (KM) model at half-filling on the honeycomb lattice. The results are in excellent agreement with quantum Monte Carlo (QMC) calculations on the same model and cannot be reproduced by either a perturbative treatment or a self-consistent mean-field treatment of the interactions. Our analytical approach helps to clarify how the symmetries of the one-body terms of the Hamiltonian determine whether interactions tend to stabilize or destabilize a topological phase. Moreover, our method should be applicable to a wide class of models where topological transitions due to interactions are in principle possible, but are not correctly predicted by either perturbative or self

  7. Single-Chip Fully Integrated Direct-Modulation CMOS RF Transmitters for Short-Range Wireless Applications

    PubMed Central

    El-Desouki, Munir M.; Qasim, Syed Manzoor; BenSaleh, Mohammed; Deen, M. Jamal

    2013-01-01

    Ultra-low power radio frequency (RF) transceivers used in short-range application such as wireless sensor networks (WSNs) require efficient, reliable and fully integrated transmitter architectures with minimal building blocks. This paper presents the design, implementation and performance evaluation of single-chip, fully integrated 2.4 GHz and 433 MHz RF transmitters using direct-modulation power voltage-controlled oscillators (PVCOs) in addition to a 2.0 GHz phase-locked loop (PLL) based transmitter. All three RF transmitters have been fabricated in a standard mixed-signal CMOS 0.18 μm technology. Measurement results of the 2.4 GHz transmitter show an improvement in drain efficiency from 27% to 36%. The 2.4 GHz and 433 MHz transmitters deliver an output power of 8 dBm with a phase noise of −122 dBc/Hz at 1 MHz offset, while drawing 15.4 mA of current and an output power of 6.5 dBm with a phase noise of −120 dBc/Hz at 1 MHz offset, while drawing 20.8 mA of current from 1.5 V power supplies, respectively. The PLL transmitter delivers an output power of 9 mW with a locking range of 128 MHz and consumes 26 mA from 1.8 V power supply. The experimental results demonstrate that the RF transmitters can be efficiently used in low power WSN applications. PMID:23917260

  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. 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. PMID:26565877

  11. Atomic-resolution imaging in liquid by frequency modulation atomic force microscopy using small cantilevers with megahertz-order resonance frequencies.

    PubMed

    Fukuma, T; Onishi, K; Kobayashi, N; Matsuki, A; Asakawa, H

    2012-04-01

    In this study, we have investigated the performance of liquid-environment FM-AFM with various cantilevers having different dimensions from theoretical and experimental aspects. The results show that reduction of the cantilever dimensions provides improvement in the minimum detectable force as long as the tip height is sufficiently long compared with the width of the cantilever. However, we also found two important issues to be overcome to achieve this theoretically expected performance. The stable photothermal excitation of a small cantilever requires much higher pointing stability of the exciting laser beam than that for a long cantilever. We present a way to satisfy this stringent requirement using a temperature controlled laser diode module and a polarization-maintaining optical fiber. Another issue is associated with the tip. While a small carbon tip formed by electron beam deposition (EBD) is desirable for small cantilevers, we found that an EBD tip is not suitable for atomic-scale applications due to the weak tip-sample interaction. Here we show that the tip-sample interaction can be greatly enhanced by coating the tip with Si. With these improvements, we demonstrate atomic-resolution imaging of mica in liquid using a small cantilever with a megahertz-order resonance frequency. In addition, we experimentally demonstrate the improvement in the minimum detectable force obtained by the small cantilever in measurements of oscillatory hydration forces. PMID:22421199

  12. 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

    ... Pursuant to delegation by the Commission dated December 29, 1972, published in the Federal Register, 37 FR..., published in the Federal Register on March 19, 2012 (77 FR 16,098); and (2) an immediately effective order... in the Federal Register on March 19, 2012 (77 FR 16,082). The Board is comprised of the...

  13. Second order classical perturbation theory for the sticking probability of heavy atoms scattered on surfaces

    SciTech Connect

    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.

  14. Collective Weibull behavior of social atoms: Application of the rank-ordering statistics to historical extreme events

    NASA Astrophysics Data System (ADS)

    Chen, Chien-Chih; Tseng, Chih-Yuan; Telesca, Luciano; Chi, Sung-Ching; Sun, Li-Chung

    2012-02-01

    Analogous to crustal earthquakes in natural fault systems, we here consider the dynasty collapses as extreme events in human society. Duration data of ancient Chinese and Egyptian dynasties provides a good chance of exploring the collective behavior of the so-called social atoms. By means of the rank-ordering statistics, we demonstrate that the duration data of those ancient dynasties could be described with good accuracy by the Weibull distribution. It is thus amazing that the distribution of time to failure of human society, i.e. the disorder of a historical dynasty, follows the widely accepted Weibull process as natural material fails.

  15. 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.

  16. 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.

  17. Atomic and magnetic order in the shape memory alloy Mn2NiGa

    NASA Astrophysics Data System (ADS)

    Brown, P. J.; Kanomata, T.; Neumann, K.; Neumann, K. U.; Ouladdiaf, B.; Sheikh, A.; Ziebeck, K. R. A.

    2010-12-01

    Magnetization and high resolution neutron powder diffraction measurements on the magnetic shape memory alloy Mn2NiGa have confirmed that it is ferromagnetic with a Curie temperature above 500 K. The compound undergoes a broad structural phase transformation ΔT ~ 90 K with a mean transition temperature TM ~ 270 K. The high temperature parent phase is cubic (a = 5.937 Å) and has a modified L 21 structure. At 500 K the ordered magnetic moment essentially all on the 4a site is 1.35 μB/Mn. The low temperature martensite has space group I4/mmm and is related to the cubic phase through a Bain transformation atet = (acub + bcub)/2, btet = (acub - bcub) and ctet = ccub in which the change in cell volume is < 2.6%. In this structure at 5 K the ordered moment of ≈2.3 μB is again found to be confined to the sites with full Mn occupation and is aligned parallel to c. Neutron diffraction patterns obtained at 5 K suggested the presence of a weak incommensurate antiferromagnetic phase characterized by either a (\\frac 13 0 \\frac 13) or (0 0 \\frac 13) propagation vector.

  18. FFLO order in ultra-cold atoms in three-dimensional optical lattices

    NASA Astrophysics Data System (ADS)

    Rosenberg, Peter; Chiesa, Simone; Zhang, Shiwei

    2015-06-01

    We investigate different ground-state phases of attractive spin-imbalanced populations of fermions in three-dimensional optical lattices. Detailed numerical calculations are performed using Hartree-Fock-Bogoliubov theory to determine the ground-state properties systematically for different values of density, spin polarization and interaction strength. We first consider the high density and low polarization regime, in which the effect of the optical lattice is most evident. We then proceed to the low density and high polarization regime where the effects of the underlying lattice are less significant and the system begins to resemble a continuum Fermi gas. We explore the effects of density, polarization and interaction on the character of the phases in each regime and highlight the qualitative differences between the two regimes. In the high-density regime, the order is found to be of Larkin-Ovchinnikov type, linearly oriented with one characteristic wave vector but varying in its direction with the parameters. At lower densities the order parameter develops more structures involving multiple wave vectors.

  19. Impact of short-range scattering on the metallic transport of strongly correlated two-dimensional holes in GaAs quantum wells

    NASA Astrophysics Data System (ADS)

    Goble, Nicholas J.; Watson, John D.; Manfra, Michael J.; Gao, Xuan P. A.

    2014-07-01

    Understanding the nonmonotonic behavior in the temperature dependent resistance R(T) of strongly correlated two-dimensional (2D) carriers in clean semiconductors has been a central issue in the studies of 2D metallic states and metal-insulator transitions. We have studied the transport of high mobility 2D holes in 20-nm-wide GaAs quantum wells with varying short-range disorder strength by changing the Al fraction x in the AlxGa1-xAs barrier. Via varying the short-range interface roughness and alloy scattering, it is observed that increasing x suppresses both the strength and characteristic temperature scale of the 2D metallicity, pointing to the distinct role of short-range vs long-range disorder in the 2D metallic transport in this correlated 2D hole system with interaction parameter rs˜20.

  20. 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.

  1. Surface structures from low energy electron diffraction: Atoms, small molecules and an ordered ice film on metal surfaces

    SciTech Connect

    Materer, N.F.

    1995-09-01

    We investigated the surface bonding of various adsorbates (0, S, C{sub 2}H{sub 3} 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.

  2. 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.

  3. 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.

  4. Role of support-nanoalloy interactions in the atomic-scale structural and chemical ordering for tuning catalytic sites

    SciTech Connect

    Yang, Lefu; Shan, Shiyao; Loukrakpam, Rameshwori; Petkov, Valeri; Ren, Yang; Wanjala, Bridgid N.; Engelhard, Mark H.; Luo, Jin; Yin, Jun; Chen, Yongsheng; Zhong, Chuan-Jian

    2012-09-12

    The understanding of the atomic-scale structural and chemical ordering in supported nanosized alloy particles is fundamental for achieving active catalysts by design. This report shows how such knowledge can be obtained by a combination of techniques including x-ray photoelectron spectroscopy and synchrotron radiation based x-ray fine structure absorption spectroscopy and high-energy x-ray diffraction coupled to atomic pair distribution function analysis, and how the support-nanoalloy interaction influences the catalytic activity of a ternary nanoalloy (platinum-nickel-cobalt) particles on three different supports: carbon, silica and titania. The reaction of carbon monoxide with oxygen is employed as a probe of the catalytic activity. This ternary composition, in combination with the different support materials, is demonstrated to be capable of fine-tuning the catalytic activity and stability. The support-nanoalloy interaction is shown to influence structural and chemical ordering in the nanoparticles, leading to support-tunable active sites on the nanoalloys for oxygen activation in the catalytic oxidation of carbon monoxide. A nickel/cobalt-tuned catalytic site on the surface of nanoalloy was revealed for oxygen activation, which differs from the traditional oxygen-activation sites known for oxide-supported noble metal catalysts. The discovery of such support-nanoalloy interaction enabled oxygen-activation sites introduces a very promising strategy for designing active catalysts in heterogeneous catalysis.

  5. High-momentum components of the nuclear wave function: Short range correlations, EMC effect, and the tensor parts of the N-N interaction

    SciTech Connect

    Eli Piasetzky

    2012-09-01

    The combination of inclusive and exclusive electron scattering data from JLab in kinematic regimes that were not reachable before, together with the analysis and interpretation of older data from hadronic reactions at BNL is finally revealing the details of short-range nucleon-nucleon correlations in nuclei. The most significant result is the demonstration of the dominance of correlated np pairs over pp and nn pairs. I will review these results, discuss them in terms of short-range tensor-force dominance and also discuss the connection to the EMC effect.

  6. High-order-harmonic spectra from atoms in intense laser fields: Exact versus approximate methods

    NASA Astrophysics Data System (ADS)

    Pugliese, S. N.; Simonsen, A. S.; Førre, M.; Hansen, J. P.

    2015-08-01

    We compare harmonic spectra from hydrogen based on the numerical solution of the time-dependent Schrödinger equation and three approximate models: (i) the strong field approximation (SFA), (ii) the Coulomb-Volkov modified strong field approximation (CVA), and (iii) the strong field approximation with the stationary phase approximation applied to the momentum integrals (SPSFA). At laser intensities in the range of (1 -3 ) ×1014W/cm 2 we find good agreement when comparing the SFA and CVA with exact results. In general the CVA displays an overall better agreement with ab initio results, which reflects the role of the Coulomb field in the ionization as well as in the recombination process. Furthermore, it is found that the widely used SPSFA breaks down for low-order harmonic generation; i.e., the approximation turns out to be accurate only in the outer part of the harmonic plateau region as well as in the cutoff region. We trace this deficiency to the singularity of the SPSFA associated with short trajectories, i.e., short return times. When removing these, we obtain a version of the SPSFA which works rather well for the entire harmonic spectrum.

  7. Helical order in one-dimensional magnetic atom chains and possible emergence of Majorana bound states

    NASA Astrophysics Data System (ADS)

    Kim, Younghyun; Cheng, Meng; Bauer, Bela; Lutchyn, Roman M.; Das Sarma, S.

    2014-08-01

    We theoretically obtain the phase diagram of localized magnetic impurity spins arranged in a one-dimensional chain on top of a one- or two-dimensional electron gas. The interactions between the spins are mediated by the Ruderman-Kittel-Kasuya-Yosida mechanism through the electron gas. Recent work predicts that such a system may intrinsically support topological superconductivity without spin-orbit coupling when a helical spin-density wave is spontaneously formed in the spins, and superconductivity is induced in the electron gas. We analyze, using both analytical and numerical techniques, the conditions under which such a helical spin state is stable in a realistic situation in the presence of disorder. We show that (i) it appears only when the spins are coupled to a (quasi-) one-dimensional electron gas, and (ii) it becomes unstable towards the formation of (anti)ferromagnetic domains if the disorder in the impurity spin positions δR becomes comparable with the Fermi wavelength. We also examine the stability of the helical state against Gaussian potential disorder in the electronic system using a diagrammatic approach. Our results suggest that in order to stabilize the helical spin state and thus the emergent topological superconductivity under realistic experimental conditions, a sufficiently strong Rashba spin-orbit coupling, giving rise to Dzyaloshinskii-Moriya interactions, is required.

  8. Atomic-Scale Imaging and Control of Interface Magnetic States in Vacancy Ordered Cobaltite Thin Films

    NASA Astrophysics Data System (ADS)

    Borisevich, Albina; Kim, Young-Min; Biegalski, Michael; He, Jun; Christen, Hans; Pantelides, Sokrates; Pennycook, Stephen

    2012-02-01

    Magnetic properties of complex oxide thin films are strongly affected by strain, chemical composition, and octahedral tilt of the substrate. Here, we study lanthanum/strontium cobaltite (La0.5Sr0.5CoO3-x, LSCO) thin films via quantitative aberration-corrected scanning transmission electron microscopy and Electron Energy Loss Spectroscopy (EELS) to explore the coupling between magnetic properties, ionic behavior, and oxygen octahedral tilts. LSCO films were grown by PLD in identical conditions on two different substrates, LSAT (cubic) and NGO (orthorhombic). These substrates have nearly identical lattice parameters, but different octahedral tilts. The film on NGO appears to be La0.5Sr0.5CoO2.5, while the film on LSAT is less oxygen deficient. Comparison of measured lattice parameters with the first-principles calculations allows us to determine oxygen content in the film. In La0.5Sr0.5CoO2.5/NGO films, EELS reveals different valence states of Co at the interface depending on termination, resulting in different magnetic states. Therefore changes in octahedral tilts can induce changes in oxygen stoichiometry and interface magnetic states of the vacancy ordered structures.

  9. Use of atomic force microscopy in the forensic application of chronological order of toners and stamping inks in questioned documents.

    PubMed

    Kang, Tae-Yi; Lee, Joong; Park, Byung-Wook

    2016-04-01

    This paper describes the application of the atomic force microscopy (AFM) as a nano-indentation method and introduces a new method of identifying the chronological order of the application of the toner and stamping ink on the surface of documents by removing either of them. Various toners were used as samples for the AFM nano-indentation method. The chronological order of the application of the toner and stamping ink with either the toner placed over the stamping ink or the stamping ink placed over the toner, could be identified, regardless of the kinds of toners made by various companies. This paper provides the new approach for physically removing the toner and checking the material below it to identify questioned documents, which allows the method to be used to appraise documents forensically. Blind testing has shown that the method to analyze the chronological order of toner-printed documents and the seal stamping on them could accurately identify the order in all samples, while minimizing damage to the samples. PMID:26874052

  10. 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.

  11. 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.

  12. 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.

  13. 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. PMID:22609898

  14. 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.

  15. Testing short-range migration of microbial methane as a hydrate formation mechanism: Results from Andaman Sea and Kumano Basin drill sites and global implications

    NASA Astrophysics Data System (ADS)

    Malinverno, Alberto; Goldberg, David S.

    2015-07-01

    Methane gas hydrates in marine sediments often concentrate in coarse-grained layers surrounded by fine-grained marine muds that are hydrate-free. Methane in these hydrate deposits is typically microbial, and must have migrated from its source as the coarse-grained sediments contain little or no organic matter. In "long-range" migration, fluid flow through permeable layers transports methane from deeper sources into the gas hydrate stability zone (GHSZ). In "short-range" migration, microbial methane is generated within the GHSZ in fine-grained sediments, where small pore sizes inhibit hydrate formation. Dissolved methane can then diffuse into adjacent sand layers, where pore size does not restrict hydrate formation and hydrates can accumulate. Short-range migration has been used to explain hydrate accumulations in sand layers observed in drill sites on the northern Cascadia margin and in the Gulf of Mexico. Here we test the feasibility of short-range migration in two additional locations, where gas hydrates have been found in coarse-grained volcanic ash layers (Site NGHP-01-17, Andaman Sea, Indian Ocean) and turbidite sand beds (Site IODP-C0002, Kumano forearc basin, Nankai Trough, western Pacific). We apply reaction-transport modeling to calculate dissolved methane concentration and gas hydrate amounts resulting from microbial methane generated within the GHSZ. Model results show that short-range migration of microbial methane can explain the overall amounts of methane hydrate observed at the two sites. Short-range migration has been shown to be feasible in diverse margin environments and is likely to be a widespread methane transport mechanism in gas hydrate systems. It only requires a small amount of organic carbon and sediment sequences consisting of thin coarse-grained layers that can concentrate microbial methane generated within thick fine-grained sediment beds; these conditions are common along continental margins around the globe.

  16. 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.

  17. Precision measurement of single atoms strongly coupled to the higher-order transverse modes of a high-finesse optical cavity

    SciTech Connect

    Du, Jinjin; Li, Wenfang; Wen, Ruijuan; Li, Gang; Zhang, Pengfei; Zhang, Tiancai

    2013-08-19

    We have experimentally demonstrated the strong coupling between single atoms and the higher-order Hermite-Gaussian transverse modes in a high-finesse optical microcavity. Compared to the usual low-order symmetric transverse modes, multiple lobes and the asymmetric spatial pattern of the titled modes provide more information about the motion of single atoms in the cavity. The motional information can be extracted from the measured transmission spectra, which includes the velocities and the positions of the atoms in vertical and off-axis directions. The scheme has great potential in time-resolved atom-cavity microscopy and in tracking the three-dimensional single atom trajectory in real time.

  18. Cooling rate dependence of structural order in Al90Sm10 metallic glass

    NASA Astrophysics Data System (ADS)

    Sun, Yang; Zhang, Yue; Zhang, Feng; Ye, Zhuo; Ding, Zejun; Wang, Cai-Zhuang; Ho, Kai-Ming

    2016-07-01

    The atomic structure of Al90Sm10 metallic glass is studied using molecular dynamics simulations. By performing a long sub-Tg annealing, we developed a glass model closer to the experiments than the models prepared by continuous cooling. Using the cluster alignment method, we found that "3661" cluster is the dominating short-range order in the glass samples. The connection and arrangement of "3661" clusters, which define the medium-range order in the system, are enhanced significantly in the sub-Tg annealed sample as compared with the fast cooled glass samples. Unlike some strong binary glass formers such as Cu64.5Zr35.5, the clusters representing the short-range order do not form an interconnected interpenetrating network in Al90Sm10, which has only marginal glass formability.

  19. 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.

  20. Experimental evidence that short-range intermolecular aggregation is sufficient for efficient charge transport in conjugated polymers.

    PubMed

    Wang, Suhao; Fabiano, Simone; Himmelberger, Scott; Puzinas, Skomantas; Crispin, Xavier; Salleo, Alberto; Berggren, Magnus

    2015-08-25

    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