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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. 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.

  12. 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

  13. 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.

  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

    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.

  18. 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

  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 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

  5. 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

  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

    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.

  11. 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

  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

    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.

  14. 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

  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

    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

  19. 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

  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

    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.

  4. 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.

  5. 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

  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

    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

  1. 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

  2. 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.

  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.

    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

  7. 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.

  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. 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.

  4. 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.

  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. 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."

  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. 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.

  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. 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

  18. 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

  19. 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

  20. 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.

  1. 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.

  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. 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.

  9. 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

  10. 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.

  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. 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

  13. 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.

  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. 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.

  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. 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.

  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

    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.

  13. 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

  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. 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.

  16. 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

  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 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.

  2. 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).

  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. 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

  12. 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.

  13. 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

  14. 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

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

    SciTech Connect

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

    2010-03-22

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

  16. 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.

  17. 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.

  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. 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

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. 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.

  12. 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.

  13. 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

  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. 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.

  16. 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

  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. (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.

  3. 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.

  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. 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.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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

  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. 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

  19. 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

  20. 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.

  1. 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.

  2. 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

  3. 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.

  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. 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.

  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. 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