Magnetism and atomic short-range order in Ni-Rh alloys
NASA Astrophysics Data System (ADS)
Carnegie, D. W., Jr.; Claus, H.
1984-07-01
Low-field ac susceptibility measurements of Ni-Rh samples of various concentrations are presented. Giant effects of the metallurgical state on the magnetic ordering temperature are associated with changes in the degree of atomic short-range order. By careful control of this degree of short-range order, it is possible to demonstrate the existence of a spin-glass state in Ni-Rh alloys.
NASA Astrophysics Data System (ADS)
Eriş, Rasim; Mekhrabov, Amdulla O.; Akdeniz, M. Vedat
2017-10-01
Remarkable high-temperature mechanical properties of nickel-based superalloys are correlated with the arrangement of ternary alloying elements in L12-type-ordered γ‧-Ni3Al intermetallics. In the current study, therefore, high-temperature site occupancy preference and energetic-structural characteristics of atomic short-range ordering (SRO) of ternary alloying X elements (X = Mo, W, Ta, Hf, Re, Ru, Pt or Co) in Ni75Al21.875X3.125 alloy systems have been studied by combining the statistico-thermodynamical theory of ordering and electronic theory of alloys in the pseudopotential approximation. Temperature dependence of site occupancy tendencies of alloying X element atoms has been predicted by calculating partial ordering energies and SRO parameters of Ni-Al, Ni-X and Al-X atomic pairs. It is shown that, all ternary alloying element atoms (except Pt) tend to occupy Al, whereas Pt atoms prefer to substitute for Ni sub-lattice sites of Ni3Al intermetallics. However, in contrast to other X elements, sub-lattice site occupancy characteristics of Re atoms appear to be both temperature- and composition-dependent. Theoretical calculations reveal that site occupancy preference of Re atoms switches from Al to both Ni and Al sites at critical temperatures, Tc, for Re > 2.35 at%. Distribution of Re atoms at both Ni and Al sub-lattice sites above Tc may lead to localised supersaturation of the parent Ni3Al phase and makes possible the formation of topologically close-packed (TCP) phases. The results of the current theoretical and simulation study are consistent with other theoretical and experimental investigations published in the literature.
Evolution of short range order in Ar: Liquid to glass and solid transitions-A computational study
NASA Astrophysics Data System (ADS)
Shor, Stanislav; Yahel, Eyal; Makov, Guy
2018-04-01
The evolution of the short range order (SRO) as a function of temperature in a Lennard-Jones model liquid with Ar parameters was determined and juxtaposed with thermodynamic and kinetic properties obtained as the liquid was cooled (heated) and transformed between crystalline solid or glassy states and an undercooled liquid. The Lennard-Jones system was studied by non-equilibrium molecular dynamics simulations of large supercells (approximately 20000 atoms) rapidly cooled or heated at selected quenching rates and at constant pressure. The liquid to solid transition was identified by discontinuities in the atomic volume and molar enthalpy; the glass transition temperature range was identified from the temperature dependence of the self-diffusion. The SRO was studied within the quasi-crystalline model (QCM) framework and compared with the Steinhardt bond order parameters. Within the QCM it was found that the SRO evolves from a bcc-like order in the liquid through a bct-like short range order (c/a=1.2) in the supercooled liquid which persists into the glass and finally to a fcc-like ordering in the crystalline solid. The variation of the SRO that results from the QCM compares well with that obtained with Steinhardt's bond order parameters. The hypothesis of icosahedral order in liquids and glasses is not supported by our results.
Amorphous photonic crystals with only short-range order.
Shi, Lei; Zhang, Yafeng; Dong, Biqin; Zhan, Tianrong; Liu, Xiaohan; Zi, Jian
2013-10-04
Distinct from conventional photonic crystals with both short- and long-range order, amorphous photonic crystals that possess only short-range order show interesting optical responses owing to their unique structural features. Amorphous photonic crystals exhibit unique light scattering and transport, which lead to a variety of interesting phenomena such as isotropic photonic bandgaps or pseudogaps, noniridescent structural colors, and light localization. Recent experimental and theoretical advances in the study of amorphous photonic crystals are summarized, focusing on their unique optical properties, artificial fabrication, bionspiration, and potential applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Positional short-range order in the nematic phase of n BABAs
NASA Astrophysics Data System (ADS)
Usha Deniz, K.; Pepy, G.; Parette, G.; Keller, P.
1991-10-01
The positional short-range order, SRO ⊥, perpendicular to the nematic director n̂ has been studied in the fibre-type nematics, nBABAs, by neutron diffraction. SRO ⊥ is found to be dependent on other types of nematic short-range order but not on the orientational long-range order.
Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy
Zhang, F. X.; Zhao, Shijun; Jin, Ke; ...
2017-05-19
Multi-element solid solution alloys are intrinsically disordered on the atomic scale, and many of their advanced properties originate from the unique local structural characteristics. We measured the local structure of a NiCoCr solid solution alloy with X-ray/neutron total scattering and extended X-ray absorption fine structure (EXAFS) techniques. The atomic pair distribution function analysis (PDF) did not exhibit distinct structural distortion. But, EXAFS analysis suggested that the Cr atoms are favorably bonded with Ni and Co in the solid solution alloys. This short-range order (SRO) plays a role in the distinct low values of electrical and thermal conductivities in Ni-based solidmore » solution alloys when Cr is incorporated. Both the long-range and local structures of the NiCoCr alloy upon Ni ion irradiation were studied and an irradiation-induced enhancement of SRO was found.« less
Short-Range-Order for fcc-based Binary Alloys Revisited from Microscopic Geometry
NASA Astrophysics Data System (ADS)
Yuge, Koretaka
2018-04-01
Short-range order (SRO) in disordered alloys is typically interpreted as competition between chemical effect of negative (or positive) energy gain by mixing constituent elements and geometric effects comes from difference in effective atomic radius. Although we have a number of theoretical approaches to quantitatively estimate SRO at given temperatures, it is still unclear to systematically understand trends in SRO for binary alloys in terms of geometric character, e.g., effective atomic radius for constituents. Since chemical effect plays significant role on SRO, it has been believed that purely geometric character cannot capture the SRO trends. Despite these considerations, based on the density functional theory (DFT) calculations on fcc-based 28 equiatomic binary alloys, we find that while conventional Goldschmidt or DFT-based atomic radius for constituents have no significant correlation with SRO, atomic radius for specially selected structure, constructed purely from information about underlying lattice, can successfully capture the magnitude of SRO. These facts strongly indicate that purely geometric information of the system plays central role to determine characteristic disordered structure.
Short- and long-range magnetic order in LaMnAsO
DOE Office of Scientific and Technical Information (OSTI.GOV)
McGuire, Michael A.; Garlea, Vasile Ovidiu
2016-02-02
The magnetic properties of the layered oxypnictide LaMnAsO have been revisited using neutron scattering and magnetization measurements. The present measurements identify the Néel temperature T N = 360(1) K. Below T N the critical exponent describing the magnetic order parameter is β=0.33–0.35 , consistent with a three-dimensional Heisenberg model. Above this temperature, diffuse magnetic scattering indicative of short-range magnetic order is observed, and this scattering persists up to T SRO = 650(10) K. Morevoer, the magnetic susceptibility shows a weak anomaly at T SRO and no anomaly at T N. Analysis of the diffuse scattering data using a reverse Montemore » Carlo algorithm indicates that above T N nearly two-dimensional, short-range magnetic order is present with a correlation length of 9.3(3) Å within the Mn layers at 400 K. The inelastic scattering data reveal a spin gap of 3.5 meV in the long-range ordered state, and strong, low-energy (quasielastic) magnetic excitations emerging in the short-range ordered state. When we compared it with other related compounds correlates the distortion of the Mn coordination tetrahedra to the sign of the magnetic exchange along the layer-stacking direction, and suggests that short-range order above T N is a common feature in the magnetic behavior of layered Mn-based pnictides and oxypnictides.« less
Structural properties of medium-range order in CuNiZr alloy
NASA Astrophysics Data System (ADS)
Gao, Tinghong; Hu, Xuechen; Xie, Quan; Li, Yidan; Ren, Lei
2017-10-01
The evolution characteristics of icosahedral clusters during the rapid solidification of Cu50Ni10Zr40 alloy at cooling rate of 1011 K s-1 are investigated based on molecular dynamics simulations. The structural properties of the short-range order and medium-range order of Cu50Ni10Zr40 alloy are analyzed by several structural characterization methods. The results reveal that the icosahedral clusters are the dominant short-range order structure, and that they assemble themselves into medium-range order by interpenetrating connections. The different morphologies of medium-range order are found in the system and include chain, triangle, tetrahedral, and their combination structures. The tetrahedral morphologies of medium-range order have excellent structural stability with decreasing temperature. The Zr atoms are favorable to form longer chains, while the Cu atoms are favorable to form shorter chains in the system. Those chains interlocked with each other to improve the structural stability.
Intermediate- and short-range order in phosphorus-selenium glasses
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bytchkov, Aleksei; Hennet, Louis; Price, David L.
2011-04-01
State-of-the-art neutron and x-ray diffraction measurements have been performed to provide a definitive picture of the intermediate- and short-range structures of P{sub x}Se{sub 1-x} glasses spanning two glass regions, x 0.025-0.54 and 0.64-0.84. Liquid P{sub 4}Se{sub 3} and amorphous red P and Se were also measured. Detailed information was obtained about the development with increasing phosphorous concentration of intermediate-range order on the length scale {approx}6 A ring , based on the behavior of the first sharp diffraction peak. Attention is also paid to the feature in the structure factor at 7.5 A ring {sup -1}, identified in earlier numerical simulations,more » provides further evidence of the existence of molecular units. The real-space transforms yield a reliable statistical picture of the changing short-range order as x increases, using the information about types and concentrations of local structural units provided by previous NMR measurements to interpret the trends observed.« less
Double scattering of light from Biophotonic Nanostructures with short-range order
DOE Office of Scientific and Technical Information (OSTI.GOV)
Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar
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.
Simultaneous occurrence of multiferroism and short-range magnetic order in DyFeO 3
Wang, Jinchen; Liu, Juanjuan; Sheng, Jieming; ...
2016-04-06
In this paper, we present a combined neutron scattering and magnetization study on the multiferroic DyFeO 3, 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 DyFeO 3 has to be understood with not only the weakmore » ferromagnetism of Fe but also the short-range antiferromagnetic order of Dy.« less
Local atomic order of a metallic glass made visible by scanning tunneling microscopy
NASA Astrophysics Data System (ADS)
Luo, Yuansu; Samwer, Konrad
2018-06-01
Exploring the atomic level structure in amorphous materials by STM becomes extremely difficult due to the localized electronic states. Here we carried out STM studies on a quasi-low-dimensional film of metallic glass Zr65Cu27.5Al7.5 which is ‘ultrathin’ compared with the localization length and/or the length scale of short range order. The local electronic structure must appear more inherent, having states at E f available for tip-sample tunneling current. To enhance imaging contrasts between long-range and short-range orders, the highly oriented pyrolytic graphite was chosen as substrate, so that the structural heterogeneity arising from competition between the glass former ability and the epitaxy can be ascertained. A chemical order predicted for this system was observed in atomic ordered regimes (1–2 monolayers), accompanied with a superstructure with the period Zr–Cu(Al)–Zr along three hexagonal axes. The result implies a chemical short range order in disordered regimes, where polyhedral clusters are dominant with the solute atom Cu(Al) in the center. An attempt for the structural modelling was made based on high resolution STM images, giving icosahedral order on the surface and different Voronoi clusters in 3D space.
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
Hong, H. L.; Wang, Q.; Dong, C.; ...
2014-11-17
Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn 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-Cu 12]Zn 1~6 and [Zn-Cu 12](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 themore » 1 st-neighbor cluster, and each cluster is matched with one to six 2 nd-neighbor Zn atoms or with six mixed (Zn,Cu) atoms. Such a cluster-based formulism describes the 1 st- and 2 nd-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. As a result, 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.« less
Short, intermediate and long range order in amorphous ices
NASA Astrophysics Data System (ADS)
Martelli, Fausto; Torquato, Salvatore; Giovanbattista, Nicolas; Car, Roberto
Water exhibits polyamorphism, i.e., it exists in more than one amorphous state. The most common forms of glassy water are the low-density amorphous (LDA) and the high-density amorphous (HDA) ices. LDA, the most abundant form of ice in the Universe, transforms into HDA upon isothermal compression. We model the transformation of LDA into HDA under isothermal compression with classical molecular dynamics simulations. We analyze the molecular structures with a recently introduced scalar order metric to measure short and intermediate range order. In addition, we rank the structures by their degree of hyperuniformity, i.e.,the extent to which long range density fluctuations are suppressed. F.M. and R.C. acknowledge support from the Department of Energy (DOE) under Grant No. DE-SC0008626.
Nuclear-spin-independent short-range three-body physics in ultracold atoms.
Gross, Noam; Shotan, Zav; Kokkelmans, Servaas; Khaykovich, Lev
2010-09-03
We investigate three-body recombination loss across a Feshbach resonance in a gas of ultracold 7Li atoms prepared in the absolute ground state and perform a comparison with previously reported results of a different nuclear-spin state [N. Gross, Phys. Rev. Lett. 103, 163202 (2009)]. We extend the previously reported universality in three-body recombination loss across a Feshbach resonance to the absolute ground state. We show that the positions and widths of recombination minima and Efimov resonances are identical for both states which indicates that the short-range physics is nuclear-spin independent.
NASA Astrophysics Data System (ADS)
Liu, Jian; Fernández-Serra, Maria V.; Allen, Philip B.
2016-02-01
This paper studies short-range order (SRO) in the semiconductor alloy (GaN) 1 -x(ZnO) x. Monte Carlo simulations performed on a density functional theory (DFT)-based cluster expansion model show that the heterovalent alloys exhibit strong SRO because of the energetic preference for the valence-matched nearest-neighbor Ga-N and Zn-O pairs. To represent the SRO-related structural correlations, we introduce the concept of special quasiordered structure (SQoS). Subsequent DFT calculations reveal the dramatic influence of SRO on the atomic, electronic, and vibrational properties of the (GaN) 1 -x(ZnO) x alloy. Due to the enhanced statistical presence of the energetically unfavored Zn-N bonds with the strong Zn 3 d -N 2 p repulsion, the disordered alloys exhibit much larger lattice bowing and band-gap reduction than those of the short-range ordered alloys. Lattice vibrational entropy tilts the alloy toward less SRO.
Temperature-modulated annealing of c-plane sapphire for long-range-ordered atomic steps
NASA Astrophysics Data System (ADS)
Yatsui, Takashi; Kuribara, Kazunori; Sekitani, Tsuyoshi; Someya, Takao; Yoshimoto, Mamoru
2016-03-01
High-quality single-crystalline sapphire is used to prepare various semiconductors because of its thermal stability. Here, we applied the tempering technique, which is well known in the production of chocolate, to prepare a sapphire substrate. Surprisingly, we successfully realised millimetre-range ordering of the atomic step of the sapphire substrate. We also obtained a sapphire atomic step with nanometre-scale uniformity in the terrace width and atomic-step height. Such sapphire substrates will find applications in the preparation of various semiconductors and devices.
Holmstrom, Eero; Haberl, Bianca; Pakarinen, Olli H.; ...
2016-02-20
Variability in the short-to-intermediate range order of pure amorphous silicon prepared by different experimental and computational techniques is probed by measuring mass density, atomic coordination, bond-angle deviation, and dihedral angle deviation. It is found that there is significant variability in order parameters at these length scales in this archetypal covalently bonded, monoatomic system. This diversity strongly reflects preparation technique and thermal history in both experimental and simulated systems. Experiment and simulation do not fully quantitatively agree, partly due to differences in the way parameters are accessed. However, qualitative agreement in the trends is identified. Relaxed forms of amorphous silicon closelymore » resemble continuous random networks generated by a hybrid method of bond-switching Monte Carlo and molecular dynamics simulation. As-prepared ion implanted amorphous silicon can be adequately modeled using a structure generated from amorphization via ion bombardement using energetic recoils. Preparation methods which narrowly avoid crystallization such as experimental pressure-induced amorphization or simulated melt-quenching result in inhomogeneous structures that contain regions with significant variations in atomic ordering. Ad hoc simulated structures containing small (1 nm) diamond cubic crystal inclusions were found to possess relatively high bond-angle deviations and low dihedral angle deviations, a trend that could not be reconciled with any experimental material.« less
An Avoidance Model for Short-Range Order Induced by Soft Repulsions in Systems of Rigid Rods
NASA Astrophysics Data System (ADS)
Han, Jining; Herzfeld, Judith
1996-03-01
The effects of soft repulsions on hard particle systems are calculated using an avoidance model which improves upon the simple mean field approximation. Avoidance reduces, but does not eliminate, the energy due to soft repulsions. On the other hand, it also reduces the configurational entropy. Under suitable conditions, this simple trade-off yields a free energy that is lower than the mean field value. In these cases, the variationally determined avoidance gives an estimate for the short-range positional order induced by soft repulsions. The results indicate little short-range order for isotropically oriented rods. However, for parallel rods, short-range order increases to significant levels as the particle axial ratio increases. The implications for long- range positional ordering are also discussed. In particular, avoidance may explain the smectic ordering of tobacco mosaic virus at volume fractions lower than those necessary for smectic ordering of hard particles.
Atomic Scale Medium Range Order and Relaxation Dynamics in Metallic Glass
NASA Astrophysics Data System (ADS)
Zhang, Pei
We studied the atomic scale structure of bulk metallic glass (BMG) with the combination of fluctuation electron microscopy (FEM) and hybrid reverse Monte Carlo (HRMC) simulation. Medium range order (MRO), which occupies the length scale between short range order (SRO) and long-range order, plays an important role on the properties of metallic glass, but the characterization of MRO in experiment is difficult because conventional techniques are not sensitive to the structure at MRO scale. Compared with the X-ray and neutron which can measure SRO by two-body correlation functions, FEM is an effective way to detect MRO structure through three and four-body correlation functions, providing information about the size, distribution, and internal structure of MRO combing HRMC modeling. Thickness estimation is necessary in FEM experiment and HRMC calculation, so in Chapter 3, we measured the elastic and inelastic mean free paths of metallic glass alloys based on focused ion beam prepared thin samples with measured thickness gradients. We developed a model based on the Wentzel atomic model to predict the elastic mean free path for other amorphous materials. In Chapter 4, we studied the correlation of MRO and glass forming ability ZrCuAl alloy. Results from Variable resolution fluctuation microscopy show that in Zr50Cu35Al15 the crystal-like clusters shrink but become more ordered, while icosahedral-like clusters grow. Compared with Zr50Cu45Al5, Zr50Cu35Al15 with poorer glass forming ability exhibits more stable crystal-like structure under annealing, indicating that destabilizing crystal-like structures is important to achieve better glass forming ability in this alloy. In Chapter 5, we studied the crystallization and MRO structural in deformed and quenched Ni60Nb40 metallic glass. The deformed Ni60Nb40 contains fewer icosahedral-like Voronoi clusters and more crystal-like and bcc-like Voronoi clusters. The crystal-like and bcc-like medium range order clusters may be the
Short range smectic order driving long range nematic order: Example of cuprates
DOE Office of Scientific and Technical Information (OSTI.GOV)
Markiewicz, R. S.; Lorenzana, J.; Seibold, G.
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.
Short range smectic order driving long range nematic order: Example of cuprates
Markiewicz, R. S.; Lorenzana, J.; Seibold, G.; ...
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.
Thermal kinetics and short range order parameters of Se80X20 (X = Te, Sb) binary glasses
NASA Astrophysics Data System (ADS)
Moharram, A. H.; Abu El-Oyoun, M.; Abdel-Baset, A. M.
2014-06-01
Bulk Se80Te20 and Se80Sb20 glasses were prepared using the melt-quench technique. Differential scanning calorimetry (DSC) curves measured at different heating rates (5 K/min≤ α≤50 K/min) and X-ray diffraction (XRD) are used to characterize the as-quenched specimens. Based on the obtained results, the activation energy of glass transition and the activation energy of crystallization ( E g, E c) of the Se80Te20 glass are (137.5, 105.1 kJ/mol) higher than the corresponding values of the Se80Sb20 glass (106.8, 71.2 kJ/mol). An integer n value ( n=2) of the Se80Te20 glass indicates that only one crystallization mechanism is occurring while a non-integer exponent ( n=1.79) in the Se80Sb20 glass means that two mechanisms are working simultaneously during the amorphous-crystalline transformations. The total structure factor, S( K), indicates the presence of the short-range order (SRO) and the absence of the medium-range order (MRO) inside the as-quenched alloys. In an opposite way to the activation energies, the values of the first peak position and the total coordination number ( r 1, η 1), obtained from a Gaussian fit of the radial distribution function, of the Se80Te20 glass are (2.42 nm, 1.99 atom) lower than the corresponding values (2.55 nm, 2.36 atom) of the Se80Sb20 specimens.
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."
Short, intermediate and mesoscopic range order in sulfur-rich binary glasses
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bychkov, E.; Miloshova, M.; Price, D.L.
2008-09-29
Pulsed neutron and high-energy X-ray diffraction, small-angle neutron scattering, Raman spectroscopy and DSC were used to study structural changes on the short, intermediate and mesoscopic range scale for sulfur-rich AsS{sub x} (x {ge} 1.5) and GeS{sub x} (x {ge} 2) glasses. Two structural regions were found in the both systems. (1) Between stoichiometric (As{sub 2}S{sub 3} and GeS{sub 2}) and 'saturated' (AsS{sub 2.2} and GeS{sub 2.7}) compositions, excessive sulfur atoms form sulfur dimers and/or short chains, replacing bridging sulfur in corner-sharing AsS{sub 3/2} and GeS{sub 4/2} units. (2) Above the 'saturated' compositions at [As] < 30.5 at.% and [Ge]
NASA Astrophysics Data System (ADS)
Kroeger, D. M.; Koch, C. C.; Scarbrough, J. O.; McKamey, C. G.
1984-02-01
Measurements of the low-temperature specific heat Cp of liquid-quenched Zr-Ni glasses for a large number of compositions in the range from 55 to 74 at.% Zr revealed an unusual composition dependence of the density of states at the Fermi level, N(EF). Furthermore, for some compositions the variation of Cp near the superconducting transition temperature Tc indicated the presence of two superconducting phases, i.e., two superconducting transitions were detected. Comparison of the individual Tc's in phase-separated samples to the composition dependence of Tc for all of the samples suggests that amorphous phases with compositions near 60 and 66.7 at.% Zr occur. We discuss these results in terms of an "association model" for liquid alloys (due to Sommer), in which associations of unlike atoms with definite stoichiometries are assumed to exist in equilibrium with unassociated atoms. We conclude that in the composition range studied, associate clusters with the compositions Zr3Ni2 and Zr2Ni occur. In only a few cases are the clusters sufficiently large, compared with the superconducting coherence length, for separate superconducting transitions to be observed. The variation of N(EF) with composition is discussed, as well as the effects of this chemical short-range ordering on the crystallization behavior and glass-forming tendency.
NASA Astrophysics Data System (ADS)
Hosokawa, Shinya; Pilgrim, Wolf-Christian; Höhle, Astrid; Szubrin, Daniel; Boudet, Nathalie; Bérar, Jean-François; Maruyama, Kenji
2012-04-01
Laser-induced crystalline-amorphous phase change of Ge-Sb-Te alloys is the key mechanism enabling the fast and stable writing/erasing processes in rewritable optical storage devices, such as digital versatile disk (DVD) or blu-ray disk. Although the structural information in the amorphous phase is essential for clarifying this fast process, as well as long lasting stabilities of both the phases, experimental works were mostly limited to the short-range order by x ray absorption fine structure. Here we show both the short and intermediate-range atomic structures of amorphous DVD material, Ge2Sb2Te5 (GST), investigated by a combination of anomalous x ray scattering and reverse Monte Carlo modeling. From the obtained atomic configurations of amorphous GST, we have found that the Sb atoms and half of the Ge atoms play roles in the fast phase change process of order-disorder transition, while the remaining Ge atoms act for the proper activation energy of barriers between the amorphous and crystalline phases.
NASA Astrophysics Data System (ADS)
Roik, Oleksandr S.; Samsonnikov, Oleksiy; Kazimirov, Volodymyr; Sokolskii, Volodymyr
2010-01-01
A local short-to-intermediate range order of liquid Al80Co10Ni10, Al72.5Co14.5Ni13, and Al65Co17.5Ni17.5 alloys was examined by X-ray diffraction and the reverse Monte Carlo modelling. The comprehensive analysis of three-dimensional models of the liquid ternary alloys was performed by means of the Voronoi-Delaunay method. The existence of a prepeak on the S(Q) function of the liquid alloys is caused by medium range ordering of 3d-transition metal atoms in dense-packed polytetrahedral clusters at temperatures close to the liquidus. The non-crystalline clusters, represented by aggregates of pentagons that consist of good tetrahedra, and chemical short-range order lead to the formation of the medium range order in the liquid binary Al-Ni, Al-Co and ternary Al-Ni-Co alloys.
NASA Astrophysics Data System (ADS)
Klein, S.; Holland-Moritz, D.; Herlach, D. M.; Mauro, N. A.; Kelton, K. F.
2013-05-01
The short-range order in undercooled melts of the intermetallic Zr2Pd glass-forming alloy is investigated by combining electrostatic levitation (ESL) with high-energy X-ray diffraction and neutron diffraction. Experimentally determined structure factors are measured and analyzed with respect to various structures of short-range order. The comparative X-ray and neutron scattering experiments allow for investigations of topological and chemical short-range order. Based on these studies, no preference of a specific short-range order is found for the liquid Zr2Pd glass-forming alloy, even in the metastable state of the deeply undercooled melt. This is in agreement with an earlier report from X-ray diffraction and molecular-dynamics studies of a Zr75.5Pd24.5 liquid, which showed a broad distribution of cluster types. The results for the Zr2Pd liquid are discussed with respect to the glass-forming ability of this melt.
Effect of 0.25 and 2.0 MeV He-Ion Irradiation on Short-Range Ordering in Model (EFDA) Fe-Cr Alloys
NASA Astrophysics Data System (ADS)
Dubiel, Stanisław M.; Żukrowski, Jan; Serruys, Yves
2018-05-01
The effects of He+ irradiation on a distribution of Cr atoms in Fe100-x Cr x (x = 5.8, 10.75, 15.15) alloys were studied by 57Fe Conversion Electron Mössbauer Spectroscopy (CEMS). The alloys were irradiated with doses up to 12 × 1016 ions/cm2 with 0.25 and 2.0 MeV He+ ions. The distribution of Cr atoms within the first two coordination shells around Fe atoms was expressed with short-range order parameters α 1 (first-neighbor shell, 1NN), α 2 (second-neighbor shell, 2NN), and α 12 (1NN + 2NN). In non-irradiated alloys, α 1 >0 and α 2 <0 was revealed for all three samples. The value of α 12 ≈0, i.e., the distribution of Cr atoms averaged over 1NN and 2NN, was random. The effect of the irradiation of the Fe94.2Cr5.8 alloy was similar for the two energies of He+, viz., increase of number of Cr atoms in 1NN and decrease in 2NN. Consequently, the degree of ordering increased. For the other two samples, the effect of the irradiation depends on the composition, and is stronger for the less energetic ions where, for Fe89.25Cr10.75 alloy, the disordering disappeared and some traces of Cr clustering appeared. In Fe84.85Cr15.15 alloy, the clustering was clear. In the samples irradiated with 2. 0 MeV He+ ions, the ordering also survived in the samples with x = 10.75 and 15.15, yet its degree became smaller than in the Fe94.2Cr5.8 alloy.
Short-range second order screened exchange correction to RPA correlation energies
NASA Astrophysics Data System (ADS)
Beuerle, Matthias; Ochsenfeld, Christian
2017-11-01
Direct random phase approximation (RPA) correlation energies have become increasingly popular as a post-Kohn-Sham correction, due to significant improvements over DFT calculations for properties such as long-range dispersion effects, which are problematic in conventional density functional theory. On the other hand, RPA still has various weaknesses, such as unsatisfactory results for non-isogyric processes. This can in parts be attributed to the self-correlation present in RPA correlation energies, leading to significant self-interaction errors. Therefore a variety of schemes have been devised to include exchange in the calculation of RPA correlation energies in order to correct this shortcoming. One of the most popular RPA plus exchange schemes is the second order screened exchange (SOSEX) correction. RPA + SOSEX delivers more accurate absolute correlation energies and also improves upon RPA for non-isogyric processes. On the other hand, RPA + SOSEX barrier heights are worse than those obtained from plain RPA calculations. To combine the benefits of RPA correlation energies and the SOSEX correction, we introduce a short-range RPA + SOSEX correction. Proof of concept calculations and benchmarks showing the advantages of our method are presented.
Short-range second order screened exchange correction to RPA correlation energies.
Beuerle, Matthias; Ochsenfeld, Christian
2017-11-28
Direct random phase approximation (RPA) correlation energies have become increasingly popular as a post-Kohn-Sham correction, due to significant improvements over DFT calculations for properties such as long-range dispersion effects, which are problematic in conventional density functional theory. On the other hand, RPA still has various weaknesses, such as unsatisfactory results for non-isogyric processes. This can in parts be attributed to the self-correlation present in RPA correlation energies, leading to significant self-interaction errors. Therefore a variety of schemes have been devised to include exchange in the calculation of RPA correlation energies in order to correct this shortcoming. One of the most popular RPA plus exchange schemes is the second order screened exchange (SOSEX) correction. RPA + SOSEX delivers more accurate absolute correlation energies and also improves upon RPA for non-isogyric processes. On the other hand, RPA + SOSEX barrier heights are worse than those obtained from plain RPA calculations. To combine the benefits of RPA correlation energies and the SOSEX correction, we introduce a short-range RPA + SOSEX correction. Proof of concept calculations and benchmarks showing the advantages of our method are presented.
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
Description of the atomic disorder (local order) in crystals by the mixed-symmetry method
NASA Astrophysics Data System (ADS)
Dudka, A. P.; Novikova, N. E.
2017-11-01
An approach to the description of local atomic disorder (short-range order) in single crystals by the mixed-symmetry method based on Bragg scattering data is proposed, and the corresponding software is developed. In defect-containing crystals, each atom in the unit cell can be described by its own symmetry space group. The expression for the calculated structural factor includes summation over different sets of symmetry operations for different atoms. To facilitate the search for new symmetry elements, an "atomic disorder expert" was developed, which estimates the significance of tested models. It is shown that the symmetry lowering for some atoms correlates with the existence of phase transitions (in langasite family crystals) and the anisotropy of physical properties (in rare-earth dodecaborides RB12).
Liu, Jian; Pedroza, Luana S; Misch, Carissa; Fernández-Serra, Maria V; Allen, Philip B
2014-07-09
We present total energy and force calculations for the (GaN)1-x(ZnO)x alloy. Site-occupancy configurations are generated from Monte Carlo (MC) simulations, on the basis of a cluster expansion model proposed in a previous study. Local atomic coordinate relaxations of surprisingly large magnitude are found via density-functional calculations using a 432-atom periodic supercell, for three representative configurations at x = 0.5. These are used to generate bond-length distributions. The configurationally averaged composition- and temperature-dependent short-range order (SRO) parameters of the alloys are discussed. The entropy is approximated in terms of pair distribution statistics and thus related to SRO parameters. This approximate entropy is compared with accurate numerical values from MC simulations. An empirical model for the dependence of the bond length on the local chemical environments is proposed.
Short-range correlations control the G/K and Poisson ratios of amorphous solids and metallic glasses
DOE Office of Scientific and Technical Information (OSTI.GOV)
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 microscopicmore » 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.« less
Short-range order in the quantum XXZ honeycomb lattice material BaCo2(PO4)2
NASA Astrophysics Data System (ADS)
Nair, Harikrishnan S.; Brown, J. M.; Coldren, E.; Hester, G.; Gelfand, M. P.; Podlesnyak, A.; Huang, Q.; Ross, K. A.
2018-04-01
We present observations of highly frustrated quasi-two-dimensional (2D) magnetic correlations in the honeycomb lattice layers of the Seff =1 /2 compound γ -BaCo2(PO4)2 (γ -BCPO). Specific heat shows a broad peak comprised of two weak kink features at TN 1˜6 K and TN 2˜3.5 K, the relative weights of which can be modified by sample annealing. Neutron powder diffraction measurements reveal short range quasi-2D order that is established below TN 1 and TN 2, at which two separate, incompatible, short range magnetic orders onset: commensurate antiferromagnetic correlations with correlation length ξc=60 ±2 Å (TN 1) and in quasi-2D helical domains with ξh=350 ±11 Å (TN 2). The ac magnetic susceptibility response lacks frequency dependence, ruling out spin freezing. Inelastic neutron scattering data on γ -BCPO is compared with linear spin wave theory, and two separate parameter regions of the XXZ J1-J2-J3 model with ferromagnetic nearest-neighbor exchange J1 are favored, both near regions of high classical degeneracy. High energy coherent excitations (˜10 meV) persist up to at least 40 K, suggesting strong in-plane correlations persist above TN. These data show that γ -BCPO is a rare highly frustrated, quasi-2D Seff =1 /2 honeycomb lattice material which resists long range magnetic order and spin freezing.
Short range orders of an adsorbed layer: gold on the Si(111)7 × 7 surface
NASA Astrophysics Data System (ADS)
Takahashi, S.; Tanishiro, Y.; Takayanagi, K.
1991-02-01
Ordered phases of 5 × 2, 3× 3 and 6 × 6 structures formed by gold deposition on a Si(11)7 × 7 surface were observed by transmission electron diffraction (TED). Short-range orders of the 3× 3 phase of low and high coverages are analyzed from diffuse TED intensities. Phasons which displace the adsorption site by a at every translation of 6 a are found to be introduced in the 3× 3 structure of the saturation coverage. The phasons, which create 2 a correlation between gold clusters, prohibit formation of a completely ordered 3× 3 phase.
2017-01-01
We investigated the influence of molecular packing on the optical and electrical properties of the liquid crystalline dye 4,7-bis[5-(2-fluoro-4-pentyl-phenyl)-2-thienyl]-2,1,3-benzothiadiazole (FPPTB). FPPTB is crystalline at room temperature, exhibits a nematic phase at temperatures above 149 °C and is in an isotropic melt at temperatures above 230 °C. Solution processed FPPTB films were subject to thermal annealing through these phase transition temperatures and characterized with X-ray diffraction and polarized optical microscopy. Cooling FPPTB films from the nematic and isotropic phases increased crystal domain size, but also induced local structural variations in the molecular packing of crystalline FPPTB. The decrease in long-range order was correlated with an increase in short-range π–π interactions, leading to changes in molecular aggregation which persisted even when the FPPTB films were cooled to room temperature. Annealing-induced changes in molecular aggregation were confirmed with optical spectroscopy. The carrier mobility in FPPTB films increased over 2 orders of magnitude from (2.2 ± 0.4) × 10–5 cm2 V–1 s–1 in as-spun films to μ = (5.0 ± 0.8) × 10–3 cm2 V–1 s–1 in films cooled from the isotropic melt. We discuss the relationship between thermal stability and high carrier mobility values in terms of the interplay between long-range molecular order and increased π–π interactions between molecular pairs in the FPPTB film. PMID:28139915
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.
Short-range order in the quantum XXZ honeycomb lattice material BaCo 2 ( PO 4 ) 2
DOE Office of Scientific and Technical Information (OSTI.GOV)
Nair, Harikrishnan S.; Brown, J; Coldren, E.
In this paper, we present observations of highly frustrated quasi-two-dimensional (2D) magnetic correlations in the honeycomb lattice layers of the S eff =1/2 compound γ-BaCo 2(PO 4) 2 (γ-BCPO). Specific heat shows a broad peak comprised of two weak kink features at T N1~6 K and T N2~3.5 K, the relative weights of which can be modified by sample annealing. Neutron powder diffraction measurements reveal short range quasi-2D order that is established below T N1 and T N2, at which two separate, incompatible, short range magnetic orders onset: commensurate antiferromagnetic correlations with correlation length ξ c=60±2 Å (T N1) andmore » in quasi-2D helical domains with ξ h=350±11 Å (T N2). The ac magnetic susceptibility response lacks frequency dependence, ruling out spin freezing. Inelastic neutron scattering data on γ-BCPO is compared with linear spin wave theory, and two separate parameter regions of the XXZ J 1-J 2-J 3 model with ferromagnetic nearest-neighbor exchange J 1 are favored, both near regions of high classical degeneracy. High energy coherent excitations (~10 meV) persist up to at least 40 K, suggesting strong in-plane correlations persist above TN. Finally, these data show that γ-BCPO is a rare highly frustrated, quasi-2D S eff =1/2 honeycomb lattice material which resists long range magnetic order and spin freezing.« less
Short-range order in the quantum XXZ honeycomb lattice material BaCo 2 ( PO 4 ) 2
Nair, Harikrishnan S.; Brown, J; Coldren, E.; ...
2018-04-12
In this paper, we present observations of highly frustrated quasi-two-dimensional (2D) magnetic correlations in the honeycomb lattice layers of the S eff =1/2 compound γ-BaCo 2(PO 4) 2 (γ-BCPO). Specific heat shows a broad peak comprised of two weak kink features at T N1~6 K and T N2~3.5 K, the relative weights of which can be modified by sample annealing. Neutron powder diffraction measurements reveal short range quasi-2D order that is established below T N1 and T N2, at which two separate, incompatible, short range magnetic orders onset: commensurate antiferromagnetic correlations with correlation length ξ c=60±2 Å (T N1) andmore » in quasi-2D helical domains with ξ h=350±11 Å (T N2). The ac magnetic susceptibility response lacks frequency dependence, ruling out spin freezing. Inelastic neutron scattering data on γ-BCPO is compared with linear spin wave theory, and two separate parameter regions of the XXZ J 1-J 2-J 3 model with ferromagnetic nearest-neighbor exchange J 1 are favored, both near regions of high classical degeneracy. High energy coherent excitations (~10 meV) persist up to at least 40 K, suggesting strong in-plane correlations persist above TN. Finally, these data show that γ-BCPO is a rare highly frustrated, quasi-2D S eff =1/2 honeycomb lattice material which resists long range magnetic order and spin freezing.« less
Tunable-Range, Photon-Mediated Atomic Interactions in Multimode Cavity QED
NASA Astrophysics Data System (ADS)
Vaidya, Varun D.; Guo, Yudan; Kroeze, Ronen M.; Ballantine, Kyle E.; Kollár, Alicia J.; Keeling, Jonathan; Lev, Benjamin L.
2018-01-01
Optical cavity QED provides a platform with which to explore quantum many-body physics in driven-dissipative systems. Single-mode cavities provide strong, infinite-range photon-mediated interactions among intracavity atoms. However, these global all-to-all couplings are limiting from the perspective of exploring quantum many-body physics beyond the mean-field approximation. The present work demonstrates that local couplings can be created using multimode cavity QED. This is established through measurements of the threshold of a superradiant, self-organization phase transition versus atomic position. Specifically, we experimentally show that the interference of near-degenerate cavity modes leads to both a strong and tunable-range interaction between Bose-Einstein condensates (BECs) trapped within the cavity. We exploit the symmetry of a confocal cavity to measure the interaction between real BECs and their virtual images without unwanted contributions arising from the merger of real BECs. Atom-atom coupling may be tuned from short range to long range. This capability paves the way toward future explorations of exotic, strongly correlated systems such as quantum liquid crystals and driven-dissipative spin glasses.
The nuclear contacts and short range correlations in nuclei
NASA Astrophysics Data System (ADS)
Weiss, R.; Cruz-Torres, R.; Barnea, N.; Piasetzky, E.; Hen, O.
2018-05-01
Atomic nuclei are complex strongly interacting systems and their exact theoretical description is a long-standing challenge. An approximate description of nuclei can be achieved by separating its short and long range structure. This separation of scales stands at the heart of the nuclear shell model and effective field theories that describe the long-range structure of the nucleus using a mean-field approximation. We present here an effective description of the complementary short-range structure using contact terms and stylized two-body asymptotic wave functions. The possibility to extract the nuclear contacts from experimental data is presented. Regions in the two-body momentum distribution dominated by high-momentum, close-proximity, nucleon pairs are identified and compared to experimental data. The amount of short-range correlated (SRC) nucleon pairs is determined and compared to measurements. Non-combinatorial isospin symmetry for SRC pairs is identified. The obtained one-body momentum distributions indicate dominance of SRC pairs above the nuclear Fermi-momentum.
Dynamic decoupling and local atomic order of a model multicomponent metallic glass-former.
Kim, Jeongmin; Sung, Bong June
2015-06-17
The dynamics of multicomponent metallic alloys is spatially heterogeneous near glass transition. The diffusion coefficient of one component of the metallic alloys may also decouple from those of other components, i.e., the diffusion coefficient of each component depends differently on the viscosity of metallic alloys. In this work we investigate the dynamic heterogeneity and decoupling of a model system for multicomponent Pd43Cu27Ni10P20 melts by using a hard sphere model that considers the size disparity of alloys but does not take chemical effects into account. We also study how such dynamic behaviors would relate to the local atomic structure of metallic alloys. We find, from molecular dynamics simulations, that the smallest component P of multicomponent Pd43Cu27Ni10P20 melts becomes dynamically heterogeneous at a translational relaxation time scale and that the largest major component Pd forms a slow subsystem, which has been considered mainly responsible for the stabilization of amorphous state of alloys. The heterogeneous dynamics of P atoms accounts for the breakdown of Stokes-Einstein relation and also leads to the dynamic decoupling of P and Pd atoms. The dynamically heterogeneous P atoms decrease the lifetime of the local short-range atomic orders of both icosahedral and close-packed structures by orders of magnitude.
NASA Astrophysics Data System (ADS)
Nwosu, Chinomso; Pandey, Tara; Herring, Andrew; Coughlin, Edward; University of Massachusetts, Amherst Collaboration; Colorado School of Mines Collaboration
Backbone-to-backbone spacing in polymers is known to be dictated by the length of the pendant side-chains. Dipole forces in random polyelectrolytes lead to ionic clusters with a characteristic spacing that can be observed by SAXS. Repulsion due to side-chain sterics will compete with dipole forces driving cluster formation in random polyelectrolytes. A model study on short range order in anion exchange membranes (AEMs) of quaternized P4VP-ran-PI is presented. Quaternization of P4VP with alkyl bromides having different numbers of carbons, CnBr, introduces pendant side-chains as well as charges. X-ray scattering performed on PQ4VP-ran-PI(CnBr) show that when n <5 the dipole forces dominate leading to the formation of ionic clusters. However, when n >4, the chains remain separated due to sterics, forming a distinct backbone-to-backbone spacing morphology. For n=3, both dipole clustering and backbone spacing can coexist. Crosslinking of the isoprene units increased the coexistence window from n=3 to n=6. Impedance measurements show that a maximum conductivity of 110mS/cm was obtained for PQ4VP-ran-PI(C3Br). A discussion on short range order due to competition, or counter balancing, of steric repulsion and dipole forces will be presented. US Army MURI project (W911NF1010520).
Beyond Born-Mayer: Improved models for short-range repulsion in ab initio force fields
Van Vleet, Mary J.; Misquitta, Alston J.; Stone, Anthony J.; ...
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
Thermal ageing and short-range ordering of Alloy 690 between 350 and 550 °C
NASA Astrophysics Data System (ADS)
Mouginot, Roman; Sarikka, Teemu; Heikkilä, Mikko; Ivanchenko, Mykola; Ehrnstén, Ulla; Kim, Young Suk; Kim, Sung Soo; Hänninen, Hannu
2017-03-01
Thermal ageing of Alloy 690 triggers an intergranular (IG) carbide precipitation and is known to promote an ordering reaction causing lattice contraction. It may affect the long-term primary water stress corrosion cracking (PWSCC) resistance of pressurized water reactor (PWR) components. Four conditions of Alloy 690 (solution annealed, cold-rolled and/or heat-treated) were aged between 350 and 550 °C for 10 000 h and characterized. Although no direct observation of ordering was made, variations in hardness and lattice parameter were attributed to the formation of short-range ordering (SRO) in all conditions with a peak level at 420 °C, consistent with the literature. Prior heat treatment induced ordering before thermal ageing. At higher temperatures, stress relaxation, recrystallization and α-Cr precipitation were observed in the cold-worked samples, while a disordering reaction was inferred in all samples based on a decrease in hardness. IG precipitation of M23C6 carbides increased with increasing ageing temperature in all conditions, as well as diffusion-induced grain boundary migration (DIGM).
NASA Technical Reports Server (NTRS)
Palosz, B.; Grzanka, E.; Stelmakh, S.; Gierlotka, S.; Weber, H.-P.; Proffen, T.; Palosz, W.
2002-01-01
The real atomic structure of nanocrystals determines unique, key properties of the materials. Determination of the structure presents a challenge due to inherent limitations of standard powder diffraction techniques when applied to nanocrystals. Alternate methodology of the structural analysis of nanocrystals (several nanometers in size) based on Bragg-like scattering and called the "apparent lattice parameter" (alp) is proposed. Application of the alp methodology to examination of the core-shell model of nanocrystals will be presented. The results of application of the alp method to structural analysis of several nanopowders were complemented by those obtained by determination of the Atomic Pair Distribution Function, PDF. Based on synchrotron and neutron diffraction data measured in a large diffraction vector of up to Q = 25 Angstroms(exp -1), the surface stresses in nanocrystalline diamond and SiC were evaluated.
Short-Range Nucleon-Nucleon Correlations
DOE Office of Scientific and Technical Information (OSTI.GOV)
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, asmore » 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.« less
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.
Structural short-range order of the β-Ti phase in bulk Ti-Fe-(Sn) nanoeutectic composites
NASA Astrophysics Data System (ADS)
Das, J.; Eckert, J.; Theissmann, R.
2006-12-01
The authors report lattice distortion and "ω-like" structural short-range order (SRO) of the β-Ti phase in a Ti-Fe-(Sn) bulk nanoeutectic composite prepared by slow cooling from the melt. The nanoeuetctic phases are chemically homogeneous, but the addition of Sn releases the local lattice strain, modifies the structural SRO, and prevents the formation of stacking faults in the body centered cubic (bcc) β-Ti phase resulting in improved plastic deformability. The elastic properties and the structural SRO of the β-Ti phase are proposed to be important parameters for developing advanced high strength, ductile Ti-base nanocomposite alloys.
Thermal algebraic-decay charge liquid driven by competing short-range Coulomb repulsion
NASA Astrophysics Data System (ADS)
Kaneko, Ryui; Nonomura, Yoshihiko; Kohno, Masanori
2018-05-01
We explore the possibility of a Berezinskii-Kosterlitz-Thouless-like critical phase for the charge degrees of freedom in the intermediate-temperature regime between the charge-ordered and disordered phases in two-dimensional systems with competing short-range Coulomb repulsion. As the simplest example, we investigate the extended Hubbard model with on-site and nearest-neighbor Coulomb interactions on a triangular lattice at half filling in the atomic limit by using a classical Monte Carlo method, and find a critical phase, characterized by algebraic decay of the charge correlation function, belonging to the universality class of the two-dimensional XY model with a Z6 anisotropy. Based on the results, we discuss possible conditions for the critical phase in materials.
Measurement and modeling of short and medium range order in amorphous Ta 2O 5 thin films
Shyam, Badri; Stone, Kevin H.; Bassiri, Riccardo; ...
2016-08-26
Here, amorphous films and coatings are rapidly growing in importance. Yet, there is a dearth of high-quality structural data on sub-micron films. Not understanding how these materials assemble at atomic scale limits fundamental insights needed to improve their performance. Here, we use grazing-incidence x-ray total scattering measurements to examine the atomic structure of the top 50–100 nm of Ta 2O 5 films; mirror coatings that show high promise to significantly improve the sensitivity of the next generation of gravitational-wave detectors. Our measurements show noticeable changes well into medium range, not only between crystalline and amorphous, but also between as-deposited, annealedmore » and doped amorphous films. It is a further challenge to quickly translate the structural information into insights into mechanisms of packing and disorder. Here, we illustrate a modeling approach that allows translation of observed structural features to a physically intuitive packing of a primary structural unit based on a kinked Ta-O-Ta backbone. Our modeling illustrates how Ta-O-Ta units link to form longer 1D chains and even 2D ribbons, and how doping and annealing influences formation of 2D order. We also find that all the amorphousTa 2O 5 films studied in here are not just poorly crystalline but appear to lack true 3D order.« less
Intricate Short-Range Ordering and Strongly Anisotropic Transport Properties of Li 1–x Sn 2+x As 2
Lee, Kathleen; Kaseman, Derrick; Sen, Sabyasachi; ...
2015-02-22
A new ternary compound, Li 1-xSn 2+xAs 2, 0.2 < x < 0.4, was synthesized via solid-state reaction of elements. The compound crystallizes in a layered structure in the Rmore » $$\\overline{3}m$$ space group (No. 166) with Sn-As layers separated by layers of jointly occupied Li/Sn. The Sn-As layers are comprised of Sn 3As 3 puckered hexagons in a chair conformation that share all edges. Li/Sn atoms in the interlayer space are surrounded by a regular As 6 octahedron. Thorough investigations by synchrotron x-ray and neutron powder diffraction indicate no long-range Li/Sn ordering. In contrast, local Sn/Li ordering was revealed by synergistic investigations via solid-state 6,7Li NMR spectroscopy, HR-TEM, and neutron and X-ray pair distribution function analyses. Due to their different chemical natures, Li and Sn atoms tend to segregate into Li-rich and Sn-rich regions creating substantial inhomogeneity on the nanoscale. Inhomogeneous local structure has high impact on the physical properties of the synthesized compounds: local Li/Sn ordering and multiple nanoscale interfaces result in unexpectedly low thermal conductivity and highly anisotropic resistivity in Li 1-xSn 2+xAs 2.« less
Large magnetoelectric coupling in magnetically short-range ordered Bi₅Ti₃FeO₁₅ film.
Zhao, Hongyang; Kimura, Hideo; Cheng, Zhenxiang; Osada, Minoru; Wang, Jianli; Wang, Xiaolin; Dou, Shixue; Liu, Yan; Yu, Jianding; Matsumoto, Takao; Tohei, Tetsuya; Shibata, Naoya; Ikuhara, Yuichi
2014-06-11
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.
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.
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.
Voronoi analysis of the short–range atomic structure in iron and iron–carbon melts
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sobolev, Andrey; Mirzoev, Alexander
2015-08-17
In this work, we simulated the atomic structure of liquid iron and iron–carbon alloys by means of ab initio molecular dynamics. Voronoi analysis was used to highlight changes in the close environments of Fe atoms as carbon concentration in the melt increases. We have found, that even high concentrations of carbon do not affect short–range atomic order of iron atoms — it remains effectively the same as in pure iron melts.
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.
First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction
NASA Astrophysics Data System (ADS)
Zhao, Xiu-Qin; Liu, Ni; Liang, Jiu-Qing
2017-05-01
In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. Supported by the National Natural Science Foundation of China under Grant Nos. 11275118, 11404198, 91430109, 61505100, 51502189, and the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi Province (STIP) under Grant No. 2014102, and the Launch of the Scientific Research of Shanxi University under Grant No. 011151801004, and the National Fundamental Fund of Personnel Training under Grant No. J1103210. The Natural Science Foundation of Shanxi Province under Grant No. 2015011008
NASA Astrophysics Data System (ADS)
Gusev, A. A.; Chuluunbaatar, O.; Popov, Yu. V.; Vinitsky, S. I.; Derbov, V. L.; Lovetskiy, K. P.
2018-04-01
The exactly soluble model of a train of zero-duration electromagnetic pulses interacting with a 1D atom with short-range interaction potential modelled by a δ-function is considered. The model is related to the up-to-date laser techniques providing the duration of pulses as short as a few attoseconds and the intensities higher than 1014 W/cm2.
Fungal biomineralization of montmorillonite and goethite to short-range-ordered minerals
NASA Astrophysics Data System (ADS)
Li, Huan; Hu, Shuijin; Polizzotto, Matthew L.; Chang, Xiaoli; Shen, Qirong; Ran, Wei; Yu, Guanghui
2016-10-01
Highly reactive nano-scale minerals, e.g., short-range-ordered minerals (SROs) and other nanoparticles, play an important role in soil carbon (C) retention. Yet, the mechanisms that govern biomineralization from bulk minerals to highly reactive nano-scale minerals remain largely unexplored, which critically hinders our efforts toward managing nano-scale minerals for soil C retention. Here we report the results from a study that explores structural changes during Aspergillus fumigatus Z5 transformation of montmorillonite and goethite to SROs. We examined the morphology and structure of nano-scale minerals, using high-resolution transmission electron microscopy, time-resolved solid-state 27Al and 29Si NMR, and Fe K-edge X-ray absorption fine structure spectroscopy combined with two dimensional correlation spectroscopy (2D COS) analysis. Our results showed that after a 48-h cultivation of montmorillonite and goethite with Z5, new biogenic intracellular and extracellular reactive nano-scale minerals with a size of 3-5 nm became abundant. Analysis of 2D COS further suggested that montmorillonite and goethite were the precursors of the dominant biogenic nano-scale minerals. Carbon 1s near edge X-ray absorption fine structure (NEXAFS) spectra and their deconvolution results demonstrated that during fungus Z5 growth, carboxylic C (288.4-289.1 eV) was the dominant organic group, accounting for approximately 34% and 59% in the medium and aggregates, respectively. This result suggested that high percentage of the production of organic acids during the growth of Z5 was the driving factor for structural changes during biomineralization. This is, to the best of our knowledge, the first report of the structural characterization of nano-scale minerals by 2D COS, highlighting its potential to elucidate biomineralization pathways and thus identify the precursors of nano-scale minerals.
NASA Astrophysics Data System (ADS)
Gremaud, R.; Baldi, A.; Gonzalez-Silveira, M.; Dam, B.; Griessen, R.
2008-04-01
A multisite lattice gas approach is used to model pressure-optical-transmission isotherms (PTIs) recorded by hydrogenography on MgyTi1-yHx sputtered thin films. The model reproduces the measured PTIs well and allows us to determine the chemical short-range order parameter s . The s values are in good agreement with those determined from extended x-ray absorption fine structure measurements. Additionally, the PTI multisite modeling yields a parameter L that accounts for the local lattice deformations with respect to the average MgyTi1-y lattice given by Vegard’s law. It is thus possible to extract two essential characteristics of a metastable alloy from hydrogenographic data.
Intentionally Short Range Communications (ISRC)
1993-05-01
ere known to the author. The first effort to develop a portable short-range communicator v, as in the carly- 1980s ( Hislop , 1982). The other was a...happenstance. The only previous effort known to the author to deliberately limit IR range was a proposal in the mid- 1980s . This attempt to develop an IR laser...B. Johnson, J. H. Yen. and G. A. Clapp. 1986. "Short-Range UV Communication Links," Proc. Tact. Comm. Conf. 1,60. Hislop , A. R. 1982. "A Head-Worn 60
Pakhira, Santanu; Mazumdar, Chandan; Choudhury, Dibyasree; Ranganathan, R; Giri, S
2018-05-16
In this work, we report the successful synthesis of a new intermetallic compound Dy2Ni0.87Si2.95 forming in single phase only with a chemically disordered structure. The random distribution of Ni/Si and crystal defects create a variation in the local electronic environment between the magnetic Dy ions. In the presence of both disorder and competing exchange interactions driven magnetic frustration, originating due to c/a ∼ 1, the compound undergoes spin freezing behaviour below 5.6 K. In the non-equilibrium state below the spin freezing behaviour, the compound exhibits aging phenomena and magnetic memory effects. In the magnetically short-range ordered region, much above the freezing temperature, an unusual occurrence of considerable magnetic entropy change, -ΔSmaxM ∼ 21 J kg-1 K-1 with large cooling power RCP ∼ 531 J kg-1 and adiabatic temperature change, ΔTad ∼ 10 K for a field change of 70 kOe, is observed for this short range ordered cluster-glass compound without any magnetic hysteresis loss.
Role of Short-Range Chemical Ordering in (GaN) 1–x (ZnO) x for Photodriven Oxygen Evolution
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chen, Dennis P.; Neuefeind, Joerg C.; Koczkur, Kallum M.
(GaN)1–x(ZnO)x (GZNO) is capable of visible-light driven water splitting, but its bandgap at x ≤ 0.15 (>2.7 eV) results in poor visible-light absorption. Unfortunately, methods to narrow its bandgap by incorporating higher ZnO concentrations are accompanied by extensive Urbach tailing near the absorption-edge, which is indicative of structural disorder or chemical inhomogeneities. We evaluated whether this disorder is intrinsic to the bond-length distribution in GZNO or is a result of defects introduced from the loss of Zn during nitridation. Here, the synthesis of GZNO derived from layered double hydroxide (LDH) precursors is described which minimizes Zn loss and chemical inhomogeneitiesmore » and enhances visible-light absorption. The average and local atomic structures of LDH-derived GZNO were investigated using X-ray and neutron scattering and are correlated with their oxygen evolution rates. An isotope-contrasted neutron-scattering experiment was conducted in conjunction with reverse Monte Carlo (RMC) simulations. We showed that a bond-valence bias in the RMC refinements reproduces the short-range ordering (SRO) observed in structure refinements using isotope-contrasted neutron data. The findings suggest that positional disorder of cation–anion pairs in GZNO partially arises from SRO and influences local bond relaxations. Furthermore, particle-based oxygen evolution reactions (OERs) in AgNO3 solution reveal that the crystallite size of GZNO correlates more than positional disorder with oxygen evolution rate. These findings illustrate the importance of examining the local structure of multinary photocatalysts to identify dominant factors in particulate-based photodriven oxygen evolution.« less
Sánchez-Alarcos, V; Pérez-Landazábal, J I; Recarte, V; Rodríguez-Velamazán, J A; Chernenko, V A
2010-04-28
The influence of long-range L2(1) atomic order on the martensitic and magnetic transformations of Ni-Mn-Ga shape memory alloys has been investigated. In order to correlate the structural and magnetic transformation temperatures with the atomic order, calorimetric, magnetic and neutron diffraction measurements have been performed on polycrystalline and single-crystalline alloys subjected to different thermal treatments. It is found that both transformation temperatures increase with increasing atomic order, showing exactly the same linear dependence on the degree of L2(1) atomic order. A quantitative correlation between atomic order and transformation temperatures has been established, from which the effect of atomic order on the relative stability between the structural phases has been quantified. On the other hand, the kinetics of the post-quench ordering process taking place in these alloys has been studied. It is shown that the activation energy of the ordering process agrees quite well with the activation energy of the Mn self-diffusion process.
Hub, Jochen S.; Salditt, Tim; Rheinstädter, Maikel C.; de Groot, Bert L.
2007-01-01
We present an extensive comparison of short-range order and short wavelength dynamics of a hydrated phospholipid bilayer derived by molecular dynamics simulations, elastic x-ray, and inelastic neutron scattering experiments. The quantities that are compared between simulation and experiment include static and dynamic structure factors, reciprocal space mappings, and electron density profiles. We show that the simultaneous use of molecular dynamics and diffraction data can help to extract real space properties like the area per lipid and the lipid chain ordering from experimental data. In addition, we assert that the interchain distance can be computed to high accuracy from the interchain correlation peak of the structure factor. Moreover, it is found that the position of the interchain correlation peak is not affected by the area per lipid, while its correlation length decreases linearly with the area per lipid. This finding allows us to relate a property of the structure factor quantitatively to the area per lipid. Finally, the short wavelength dynamics obtained from the simulations and from inelastic neutron scattering are analyzed and compared. The conventional interpretation in terms of the three-effective-eigenmode model is found to be only partly suitable to describe the complex fluid dynamics of lipid chains. PMID:17631531
Edge Singularities and Quasilong-Range Order in Nonequilibrium Steady States.
De Nardis, Jacopo; Panfil, Miłosz
2018-05-25
The singularities of the dynamical response function are one of the most remarkable effects in many-body interacting systems. However in one dimension these divergences only exist strictly at zero temperature, making their observation very difficult in most cold atomic experimental settings. Moreover the presence of a finite temperature destroys another feature of one-dimensional quantum liquids: the real space quasilong-range order in which the spatial correlation functions exhibit power-law decay. We consider a nonequilibrium protocol where two interacting Bose gases are prepared either at different temperatures or chemical potentials and then joined. We show that the nonequilibrium steady state emerging at large times around the junction displays edge singularities in the response function and quasilong-range order.
Edge Singularities and Quasilong-Range Order in Nonequilibrium Steady States
NASA Astrophysics Data System (ADS)
De Nardis, Jacopo; Panfil, Miłosz
2018-05-01
The singularities of the dynamical response function are one of the most remarkable effects in many-body interacting systems. However in one dimension these divergences only exist strictly at zero temperature, making their observation very difficult in most cold atomic experimental settings. Moreover the presence of a finite temperature destroys another feature of one-dimensional quantum liquids: the real space quasilong-range order in which the spatial correlation functions exhibit power-law decay. We consider a nonequilibrium protocol where two interacting Bose gases are prepared either at different temperatures or chemical potentials and then joined. We show that the nonequilibrium steady state emerging at large times around the junction displays edge singularities in the response function and quasilong-range order.
The long range voice coil atomic force microscope
DOE Office of Scientific and Technical Information (OSTI.GOV)
Barnard, H.; Randall, C.; Bridges, D.
2012-02-15
Most current atomic force microscopes (AFMs) use piezoelectric ceramics for scan actuation. Piezoelectric ceramics provide precision motion with fast response to applied voltage potential. A drawback to piezoelectric ceramics is their inherently limited ranges. For many samples this is a nonissue, as imaging the nanoscale details is the goal. However, a key advantage of AFM over other microscopy techniques is its ability to image biological samples in aqueous buffer. Many biological specimens have topography for which the range of piezoactuated stages is limiting, a notable example of which is bone. In this article, we present the use of voice coilsmore » in scan actuation for an actuation range in the Z-axis an order of magnitude larger than any AFM commercially available today. The increased scan size will allow for imaging an important new variety of samples, including bone fractures.« less
Probing Long-Range Neutrino-Mediated Forces with Atomic and Nuclear Spectroscopy.
Stadnik, Yevgeny V
2018-06-01
The exchange of a pair of low-mass neutrinos between electrons, protons, and neutrons produces a "long-range" 1/r^{5} potential, which can be sought for in phenomena originating on the atomic and subatomic length scales. We calculate the effects of neutrino-pair exchange on transition and binding energies in atoms and nuclei. In the case of atomic s-wave states, there is a large enhancement of the induced energy shifts due to the lack of a centrifugal barrier and the highly singular nature of the neutrino-mediated potential. We derive limits on neutrino-mediated forces from measurements of the deuteron binding energy and transition energies in positronium, muonium, hydrogen, and deuterium, as well as isotope-shift measurements in calcium ions. Our limits improve on existing constraints on neutrino-mediated forces from experiments that search for new macroscopic forces by 18 orders of magnitude. Future spectroscopy experiments have the potential to probe long-range forces mediated by the exchange of pairs of standard-model neutrinos and other weakly charged particles.
Probing Long-Range Neutrino-Mediated Forces with Atomic and Nuclear Spectroscopy
NASA Astrophysics Data System (ADS)
Stadnik, Yevgeny V.
2018-06-01
The exchange of a pair of low-mass neutrinos between electrons, protons, and neutrons produces a "long-range" 1 /r5 potential, which can be sought for in phenomena originating on the atomic and subatomic length scales. We calculate the effects of neutrino-pair exchange on transition and binding energies in atoms and nuclei. In the case of atomic s -wave states, there is a large enhancement of the induced energy shifts due to the lack of a centrifugal barrier and the highly singular nature of the neutrino-mediated potential. We derive limits on neutrino-mediated forces from measurements of the deuteron binding energy and transition energies in positronium, muonium, hydrogen, and deuterium, as well as isotope-shift measurements in calcium ions. Our limits improve on existing constraints on neutrino-mediated forces from experiments that search for new macroscopic forces by 18 orders of magnitude. Future spectroscopy experiments have the potential to probe long-range forces mediated by the exchange of pairs of standard-model neutrinos and other weakly charged particles.
NASA Astrophysics Data System (ADS)
He, Mingquan; Wang, Liran; Hardy, Frédéric; Xu, Liping; Wolf, Thomas; Adelmann, Peter; Meingast, Christoph
2018-03-01
The nature of the nematic state in FeSe remains one of the major unsolved mysteries in Fe-based superconductors. Both spin and orbital physics have been invoked to explain the origin of this phase. Here we present experimental evidence for frustrated, short-range magnetic order, as suggested by several recent theoretical works, in the nematic state of FeSe. We use a combination of magnetostriction, susceptibility, and resistivity measurements to probe the in-plane anisotropies of the nematic state and its associated fluctuations. Despite the absence of long-range magnetic order in FeSe, we observe a sizable in-plane magnetic susceptibility anisotropy, which is responsible for the field-induced in-plane distortion inferred from magnetostriction measurements. Further we demonstrate that all three anisotropies in FeSe are very similar to those of BaFe2As2 , which strongly suggests that the nematic phase in FeSe is also of magnetic origin.
Shang, C; Caldwell, D E; Stewart, J W; Tiessen, H; Huang, P M
1996-01-01
A nonreductive community-level study of P availability was conducted using various forms of adsorbed P. Orthophosphate (Pi), inositol hexaphosphate (IHP), and glucose 6-phosphate (G6P) were adsorbed to a short-range ordered Al precipitate. These bound phosphates provided a P source sufficient to support the growth of microbial communities from acidic Brazilian soils (oxisols). Adsorbed IHP, the most abundant form of organic phosphate in most soils, had the lowest bioavailability among the three phosphates studied. Adsorbed G6P and Pi were almost equally available. The amount of adsorbed Pi (1 cmol P kg(-1)) required to support microbial growth was at least 30 times less than that of IHP (30 cmol P kg(-1)). With increased surface coverage, adsorbed IHP became more bioavailable. This availability was attributed to a change in the structure of surface complexes and presumably resulted from the decreased number of high-affinity surface sites remaining at high levels of coverage. It thus appears that the bioavailability of various forms of adsorbed phosphate was determined primarily by the stability of the phosphate-surface complexes that they formed, rather than by the total amount of phosphate adsorbed. IHP, having the potential to form stable multiple-ring complexes, had the highest surface affinity and the lowest bioavailability. Bioaggregates consisting of bacteria and Al precipitate were observed and may be necessary for effective release of adsorbed P. Bacteria in the genera Enterobacter and Pseudomonas were the predominate organisms selected during these P-limited enrichments.
Nonlocality and Short-Range Wetting Phenomena
NASA Astrophysics Data System (ADS)
Parry, A. O.; Romero-Enrique, J. M.; Lazarides, A.
2004-08-01
We propose a nonlocal interfacial model for 3D short-range wetting at planar and nonplanar walls. The model is characterized by a binding-potential functional depending only on the bulk Ornstein-Zernike correlation function, which arises from different classes of tubelike fluctuations that connect the interface and the substrate. The theory provides a physical explanation for the origin of the effective position-dependent stiffness and binding potential in approximate local theories and also obeys the necessary classical wedge covariance relationship between wetting and wedge filling. Renormalization group and computer simulation studies reveal the strong nonperturbative influence of nonlocality at critical wetting, throwing light on long-standing theoretical problems regarding the order of the phase transition.
Nonlocality and short-range wetting phenomena.
Parry, A O; Romero-Enrique, J M; Lazarides, A
2004-08-20
We propose a nonlocal interfacial model for 3D short-range wetting at planar and nonplanar walls. The model is characterized by a binding-potential functional depending only on the bulk Ornstein-Zernike correlation function, which arises from different classes of tubelike fluctuations that connect the interface and the substrate. The theory provides a physical explanation for the origin of the effective position-dependent stiffness and binding potential in approximate local theories and also obeys the necessary classical wedge covariance relationship between wetting and wedge filling. Renormalization group and computer simulation studies reveal the strong nonperturbative influence of nonlocality at critical wetting, throwing light on long-standing theoretical problems regarding the order of the phase transition.
Hard probes of short-range nucleon-nucleon correlations
DOE Office of Scientific and Technical Information (OSTI.GOV)
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 nucleimore » 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.« less
Work probability distribution for a ferromagnet with long-ranged and short-ranged correlations
NASA Astrophysics Data System (ADS)
Bhattacharjee, J. K.; Kirkpatrick, T. R.; Sengers, J. V.
2018-04-01
Work fluctuations and work probability distributions are fundamentally different in systems with short-ranged versus long-ranged correlations. Specifically, in systems with long-ranged correlations the work distribution is extraordinarily broad compared to systems with short-ranged correlations. This difference profoundly affects the possible applicability of fluctuation theorems like the Jarzynski fluctuation theorem. The Heisenberg ferromagnet, well below its Curie temperature, is a system with long-ranged correlations in very low magnetic fields due to the presence of Goldstone modes. As the magnetic field is increased the correlations gradually become short ranged. Hence, such a ferromagnet is an ideal system for elucidating the changes of the work probability distribution as one goes from a domain with long-ranged correlations to a domain with short-ranged correlations by tuning the magnetic field. A quantitative analysis of this crossover behavior of the work probability distribution and the associated fluctuations is presented.
Correlation of atomic packing with the boson peak in amorphous alloys
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yang, W. M.; Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201; School of Materials Science and Engineering, Southeast University, Nanjing 211189
2014-09-28
Boson peaks (BP) have been observed from phonon specific heats in 10 studied amorphous alloys. Two Einstein-type vibration modes were proposed in this work and all data can be fitted well. By measuring and analyzing local atomic structures of studied amorphous alloys and 56 reported amorphous alloys, it is found that (a) the BP originates from local harmonic vibration modes associated with the lengths of short-range order (SRO) and medium-range order (MRO) in amorphous alloys, and (b) the atomic packing in amorphous alloys follows a universal scaling law, i.e., the ratios of SRO and MRO lengths to solvent atomic diametermore » are 3 and 7, respectively, which exact match with length ratios of BP vibration frequencies to Debye frequency for the studied amorphous alloys. This finding provides a new perspective for atomic packing in amorphous materials, and has significant implications for quantitative description of the local atomic orders and understanding the structure-property relationship.« less
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
Short and medium range structures of 80GeSe2–20Ga2Se3 chalcogenide glasses
NASA Astrophysics Data System (ADS)
Petracovschi, Elena; Calvez, Laurent; Cormier, Laurent; Le Coq, David; Du, Jincheng
2018-05-01
The short and medium range structures of 80GeSe2–20Ga2Se3 (or Ge23.5Ga11.8Se64.7) chalcogenide glasses have been studied by combining ab initio molecular dynamics (AIMD) simulations and experimental neutron diffraction studies. The structure factor and total correlation function were calculated from glass structures generated from AIMD simulations and compared with neutron diffraction experiments showing reasonable agreement. The atomic structures of ternary chalcogenide glasses were analyzed in detail, and it was found that gallium atoms are four-fold coordinated by selenium (Se) and form [GaSe4] tetrahedra. Germanium atoms on average also have four-fold coordination, among which Se is 3.5 with the remaining being Ge–Ge homo-nuclear bonds. Ga and Ge tetrahedra link together mainly through corner-sharing and some edge-sharing of Se. No homo-nuclear bonds were observed among Ga atoms or between Ge and Ga. In addition, Se–Se homo-nuclear bonds and Se chains with various lengths were observed. A small fraction of Se atom triclusters that bond to three cations of Ge and Ga were also observed, confirming earlier proposals from 77Se solid state nuclear magnetic resonance studies. Furthermore, the electronic structures of ternary chalcogenide glasses were studied in terms of atomic charge and electronic density of states in order to gain insights into the chemical bonding and electronic properties, as well as to provide an explanation of the observed atomic structures in these ternary chalcogenide glasses.
NASA Astrophysics Data System (ADS)
Morinari, Takao
2018-06-01
The central issue in high-temperature cuprate superconductors is the pseudogap state appearing below the pseudogap temperature T*, which is well above the superconducting transition temperature. In this study, we theoretically investigate the rapid increase of the magnetic anisotropy below the pseudogap temperature detected by the recent torque-magnetometry measurements on YBa2Cu3Oy [Y. Sato et al.,
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
Emerging magnetic order in platinum atomic contacts and chains
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
Emerging magnetic order in platinum atomic contacts and chains
NASA Astrophysics Data System (ADS)
Strigl, Florian; Espy, Christopher; Bückle, Maximilian; Scheer, Elke; Pietsch, Torsten
2015-02-01
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.
Emerging magnetic order in platinum atomic contacts and chains.
Strigl, Florian; Espy, Christopher; Bückle, Maximilian; Scheer, Elke; Pietsch, Torsten
2015-02-04
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.
Short-channel field-effect transistors with 9-atom and 13-atom wide graphene nanoribbons.
Llinas, Juan Pablo; Fairbrother, Andrew; Borin Barin, Gabriela; Shi, Wu; Lee, Kyunghoon; Wu, Shuang; Yong Choi, Byung; Braganza, Rohit; Lear, Jordan; Kau, Nicholas; Choi, Wonwoo; Chen, Chen; Pedramrazi, Zahra; Dumslaff, Tim; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus; Fischer, Felix; Zettl, Alex; Ruffieux, Pascal; Yablonovitch, Eli; Crommie, Michael; Fasel, Roman; Bokor, Jeffrey
2017-09-21
Bottom-up synthesized graphene nanoribbons and graphene nanoribbon heterostructures have promising electronic properties for high-performance field-effect transistors and ultra-low power devices such as tunneling field-effect transistors. However, the short length and wide band gap of these graphene nanoribbons have prevented the fabrication of devices with the desired performance and switching behavior. Here, by fabricating short channel (L ch ~ 20 nm) devices with a thin, high-κ gate dielectric and a 9-atom wide (0.95 nm) armchair graphene nanoribbon as the channel material, we demonstrate field-effect transistors with high on-current (I on > 1 μA at V d = -1 V) and high I on /I off ~ 10 5 at room temperature. We find that the performance of these devices is limited by tunneling through the Schottky barrier at the contacts and we observe an increase in the transparency of the barrier by increasing the gate field near the contacts. Our results thus demonstrate successful fabrication of high-performance short-channel field-effect transistors with bottom-up synthesized armchair graphene nanoribbons.Graphene nanoribbons show promise for high-performance field-effect transistors, however they often suffer from short lengths and wide band gaps. Here, the authors use a bottom-up synthesis approach to fabricate 9- and 13-atom wide ribbons, enabling short-channel transistors with 10 5 on-off current ratio.
Medium range order in aluminum-based metallic glasses
NASA Astrophysics Data System (ADS)
Yi, Feng
2011-12-01
Medium range order (MRO) is the structure order existing between the short range order and long range order in amorphous materials. Fluctuation electron microscopy (FEM) is an effective method to quantify MRO. The FEM signal depends on several effects. In this thesis, I will show how the probe coherence, sample thickness and energy filter affect the FEM signal. We have found that microalloying in Al-based glass has dramatic effect on the primary crystallization temperature and nanocrystal density after annealing treatment. FEM alone cannot uncover the details of MRO in these alloys. Therefore, I resort to modeling to solve the relationship between the variance signal and MRO structure. I improved Stratton and Voyles's analytical model. I also did computer simulation. I explored the effects of thermal disorder and hydrostatic strain on the variance. The extracted size d and volume fraction phi in Al88Y7Fe5, Al88Y6Fe 5Cu1 and Al87Y7Fe5Cu 1 as-spun samples reveals the relationship between MRO in as-quenched sample and thermal behaviors in these alloys. I also did FEM experiments in relaxed Al88Y7Fe 5 samples at various annealing times. MRO structure in these samples does not change. FEM was also done on Al87Y7Fe5Cu 1 to check MRO variation during transient nucleation period. The extracted (d, phi) based on combination of experimental data and simulation shows how MRO changes during this period.
Liu, Chain T.; Inouye, Henry
1979-01-01
Malleable long range ordered alloys having high critical ordering temperatures exist in the V(Fe, Co).sub.3 and V(Fe, Co, Ni).sub.3 systems. These alloys have the following compositions comprising by weight: 22-23% V, 14-30% Fe, and the remainder Co or Co and Ni with an electron density no more than 7.85. The maximum combination of high temperature strength, ductility and creep resistance are manifested in the alloy comprising by weight 22-23% V, 14-20% Fe and the remainder Co and having an atomic composition of V(Fe .sub.0.20-0.26 C Co.sub.0.74-0.80).sub.3. The alloy comprising by weight 22-23% V, 16-17% Fe and 60-62% Co has excellent high temperature properties. The alloys are fabricable into wrought articles by casting, deforming, and annealing for sufficient time to provide ordered structure.
Search for Lorentz Violation in a Short-Range Gravity Experiment
NASA Astrophysics Data System (ADS)
Bennett, D.; Skavysh, V.; Long, J.
2011-12-01
An experimental test of the Newtonian inverse square law at short range has been used to set limits on Lorentz violation in the pure gravity sector of the Standard-Model Extension. On account of the planar test mass geometry, nominally null with respect to 1/r2 forces, the limits derived for the SME coefficients of Lorentz violation are on the order bar sJK ˜ 104 .
New Results on Short-Range Correlations in Nuclei
Fomin, Nadia; Higinbotham, Douglas; Sargsian, Misak; ...
2017-10-12
Nuclear dynamics at short distances is one of the most fascinating topics of strong interaction physics. The physics of it is closely related to the understanding of the role of the QCD in generating nuclear forces at short distances, as well as of the dynamics of the superdense cold nuclear matter relevant to the interior of neutron stars. The emergence of high-energy electron and proton beams has led to significant recent progress in high-energy nuclear scattering experiments investigating the short-range structure of nuclei. These experiments, in turn, have stimulated new theoretical studies resulting in the observation of several new phenomenamore » specific to the short-range structure of nuclei. In this article, we review recent theoretical and experimental progress in studies of short-range correlations in nuclei and discuss their importance for advancing our understanding of the dynamics of nuclear interactions at short distances.« less
New Results on Short-Range Correlations in Nuclei
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fomin, Nadia; Higinbotham, Douglas; Sargsian, Misak
Nuclear dynamics at short distances is one of the most fascinating topics of strong interaction physics. The physics of it is closely related to the understanding of the role of the QCD in generating nuclear forces at short distances, as well as of the dynamics of the superdense cold nuclear matter relevant to the interior of neutron stars. The emergence of high-energy electron and proton beams has led to significant recent progress in high-energy nuclear scattering experiments investigating the short-range structure of nuclei. These experiments, in turn, have stimulated new theoretical studies resulting in the observation of several new phenomenamore » specific to the short-range structure of nuclei. In this article, we review recent theoretical and experimental progress in studies of short-range correlations in nuclei and discuss their importance for advancing our understanding of the dynamics of nuclear interactions at short distances.« less
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
NASA Astrophysics Data System (ADS)
Trice, Justin; Favazza, Christopher; Kalyanaraman, Ramki; Sureshkumar, R.
2006-03-01
Irradiating ultrathin Co films (1 to 10 nm) by a short-pulsed UV laser leads to pattern formation with both short- and long-range order (SRO, LRO). Single beam irradiation produces SRO, while two-beam interference irradiation produces a quasi-2D arrangement of nanoparticles with LRO and SRO. The pattern formation primarily occurs in the molten phase. An estimate of the thermal behavior of the film/substrate composite following a laser pulse is presented. The thermal behavior includes the lifetime of the liquid phase and the thermal gradient during interference heating. Based on this evidence, the SRO is attributed to spinodal dewetting of the film while surface tension gradients induced by the laser interference pattern appear to influence LRO [1]. [1] C.Favazza, J.Trice, H.Krishna, R.Sureshkumar, and R.Kalyanaraman, unpublished.
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.
Intentionally Short-Range Communications (ISRC) Exploratory Development Plan
1992-06-01
range voice communication links. In the 1980s , NOSC developed a short-range, 2400-bps, computer-to-computer link for the USMC (UV Communications, or UV...Communication Links," Proc. Tact. Comm. Conf. 1, 60. Hislop , A. R. 1982. "A Head-Worn 60 GHz Communicator for Short Range Applications." NOSC TN 1153
DOE Office of Scientific and Technical Information (OSTI.GOV)
Frolov, M. V.; Manakov, N. L.; Silaev, A. A.
2011-02-15
Analytic formulas describing high-order harmonic generation (HHG) by atoms in a short laser pulse are obtained quantum mechanically in the tunneling limit. These results provide analytic expressions of the three-step HHG scenario, as well as of the returning electron wave packet, in a few-cycle pulse. Our results agree well with those of numerical solutions of the time-dependent Schroedinger equation for the H atom, while for Xe they predict many-electron atomic dynamics features in few-cycle HHG spectra and significant dependence of these features on the carrier-envelope phase of a laser pulse.
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,
Elastic properties and short-range structural order in mixed network former glasses.
Wang, Weimin; Christensen, Randilynn; Curtis, Brittany; Hynek, David; Keizer, Sydney; Wang, James; Feller, Steve; Martin, Steve W; Kieffer, John
2017-06-21
Elastic properties of alkali containing glasses are of great interest not only because they provide information about overall structural integrity but also they are related to other properties such as thermal conductivity and ion mobility. In this study, we investigate two mixed-network former glass systems, sodium borosilicate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)SiO 2 ] and sodium borogermanate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)GeO 2 ] glasses. By mixing network formers, the network topology can be changed while keeping the network modifier concentration constant, which allows for the effect of network structure on elastic properties to be analyzed over a wide parametric range. In addition to non-linear, non-additive mixed-glass former effects, maxima are observed in longitudinal, shear and Young's moduli with increasing atomic number density. By combining results from NMR spectroscopy and Brillouin light scattering with a newly developed statistical thermodynamic reaction equilibrium model, it is possible to determine the relative proportions of all network structural units. This new analysis reveals that the structural characteristic predominantly responsible for effective mechanical load transmission in these glasses is a high density of network cations coordinated by four or more bridging oxygens, as it provides for establishing a network of covalent bonds among these cations with connectivity in three dimensions.
Avoided ferromagnetic quantum critical point: unusual short-range ordered state in CeFePO.
Lausberg, S; Spehling, J; Steppke, A; Jesche, A; Luetkens, H; Amato, A; Baines, C; Krellner, C; Brando, M; Geibel, C; Klauss, H-H; Steglich, F
2012-11-21
Cerium 4f electronic spin dynamics in single crystals of the heavy-fermion system CeFePO is studied by means of ac susceptibility, specific heat, and muon-spin relaxation (μSR). Short-range static magnetism occurs below the freezing temperature T(g) ≈ 0.7 K, which prevents the system from accessing a putative ferromagnetic quantum critical point. In the μSR, the sample-averaged muon asymmetry function is dominated by strongly inhomogeneous spin fluctuations below 10 K and exhibits a characteristic time-field scaling relation expected from glassy spin dynamics, strongly evidencing cooperative and critical spin fluctuations. The overall behavior can be ascribed neither to canonical spin glasses nor other disorder-driven mechanisms.
The three-body problem with short-range interactions
NASA Astrophysics Data System (ADS)
Nielsen, E.; Fedorov, D. V.; Jensen, A. S.; Garrido, E.
2001-06-01
The quantum mechanical three-body problem is studied for general short-range interactions. We work in coordinate space to facilitate accurate computations of weakly bound and spatially extended systems. Hyperspherical coordinates are used in both the interpretation and as an integral part of the numerical method. Universal properties and model independence are discussed throughout the report. We present an overview of the hyperspherical adiabatic Faddeev equations. The wave function is expanded on hyperspherical angular eigenfunctions which in turn are found numerically using the Faddeev equations. We generalize the formalism to any dimension of space d greater or equal to two. We present two numerical techniques for solving the Faddeev equations on the hypersphere. These techniques are effective for short and intermediate/large distances including use for hard core repulsive potentials. We study the asymptotic limit of large hyperradius and derive the analytic behaviour of the angular eigenvalues and eigenfunctions. We discuss four applications of the general method. We first analyze the Efimov and Thomas effects for arbitrary angular momenta and for arbitrary dimensions d. Second we apply the method to extract the general behaviour of weakly bound three-body systems in two dimensions. Third we illustrate the method in three dimensions by structure computations of Borromean halo nuclei, the hypertriton and helium molecules. Fourth we investigate in three dimensions three-body continuum properties of Borromean halo nuclei and recombination reactions of helium atoms as an example of direct relevance for the stability of Bose-Einstein condensates.
NASA Astrophysics Data System (ADS)
Rosenkranz, S.; Phelan, D.; Louca, D.; Lee, S. H.; Chupas, P. J.; Osborn, R.; Zheng, H.; Mitchell, J. F.
2006-03-01
The cobalt perovskites La1-xSrxCoO3 show intriguing spin, lattice, and orbital properties similar to the ones observed in colossal magnetoresistive manganites. The x=0 parent compound is a non-magnetic insulator at low temperatures, but shows evidence of a spin-state transition of the cobalt ions above 50K from a low-spin to an intermediate or high-spin configuration. Using high resolution, inelastic neutron scattering, we observe a distinct low energy excitation at 0.6meV coincident with the thermally induced spin state transition observed in susceptibility measurements. The thermal activation of this excited spin state also leads to short-range, dynamic ferro- and antiferromagnetic correlations. These observations are consistent with the activation of a zero-field split intermediate spin state as well as the presence of dynamic orbital ordering of these excited states. Work supported by US DOE BES-DMS W-31-109-ENG-38 and NSF DMR-0454672
Atomic-scale analysis of cation ordering in reduced calcium titanate.
Li, Luying; Hu, Xiaokang; Jiang, Fan; Jing, Wenkui; Guo, Cong; Jia, Shuangfeng; Gao, Yihua; Wang, Jianbo
2017-11-03
The phenomenon of cation ordering is closely related to certain physical properties of complex oxides, which necessitates the search of underlying structure-property relationship at atomic resolution. Here we study the superlattices within reduced calcium titanate single crystal micro-pillars, which are unexpected from the originally proposed atomic model. Bright and dark contrasts at alternating Ti double layers perpendicular to b axis are clearly observed, but show no signs in corresponding image simulations based on the proposed atomic model. The multi-dimensional chemical analyses at atomic resolution reveal periodic lower Ti concentrations at alternating Ti double layers perpendicular to b axis. The following in-situ heating experiment shows no phase transition at the reported T c and temperature independence of the superlattices. The dimerization of the Ti-Ti bonds at neighboring double rutile-type chains within Ti puckered sheets are directly observed, which is found to be not disturbed by the cation ordering at alternating Ti double layers. The characterization of cation ordering of complex oxides from chemical and structural point of view at atomic resolution, and its reaction to temperature variations are important for further understanding their basic physical properties and exploiting potential applications.
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.
Bavelier, Daphne; Newport, Elissa L.; Hall, Matt; Supalla, Ted; Boutla, Mrim
2008-01-01
Capacity limits in linguistic short-term memory (STM) are typically measured with forward span tasks in which participants are asked to recall lists of words in the order presented. Using such tasks, native signers of American Sign Language (ASL) exhibit smaller spans than native speakers (Boutla, Supalla, Newport, & Bavelier, 2004). Here, we test the hypothesis that this population difference reflects differences in the way speakers and signers maintain temporal order information in short-term memory. We show that native signers differ from speakers on measures of short-term memory that require maintenance of temporal order of the tested materials, but not on those in which temporal order is not required. In addition, we show that, in a recall task with free order, bilingual subjects are more likely to recall in temporal order when using English than ASL. We conclude that speakers and signers do share common short-term memory processes. However, whereas short-term memory for spoken English is predominantly organized in terms of temporal order, we argue that this dimension does not play as great a role in signers’ short-term memory. Other factors that may affect STM processes in signers are discussed. PMID:18083155
Long-range interactions between metastable rare gases atoms
NASA Astrophysics Data System (ADS)
Vrinceanu, D.; Marinescu, M.; Flannery, M. R.
1998-10-01
Knowledge of the long-range interaction between atoms and molecules is of fundamental importance for low-energy and low-temperature collisions. The electronic interaction between the charge distributions of two metastable rare gases atoms can be expanded in inverse powers of R, the internuclear distance. The coefficients C_6, C_8, and C_10 of, respectively, the R-6, R-8, and R-10 terms are calculated by integrating the products of the dynamic electric polarizabilities of the individual atoms at imaginary frequencies, which are in turn obtained by solving a system of coupled inhomogeneous differential equations. The triplet state spectrum of the rare gases atoms is described by precise l-dependent one-electron model potentials. Numerical results for the C_6, C_8, and C_10 dispersion coefficients for homonuclear and heteronuclear metastable rare gases diatoms are presented.
Long-range interactions between metastable rare gases atoms
NASA Astrophysics Data System (ADS)
Vrinceanu, D.; Marinescu, M.; Flannery, M. R.
1998-05-01
Knowledge of the long-range interaction between atoms and molecules is of fundamental importance for low-energy and low-temperature collisions. The electronic interaction between the charge distributions of two metastable rare gases atoms can be expanded in inverse powers of R, the internuclear distance. The coefficients C_6, C_8, and C_10 of, respectively, the R-6, R-8, and R-10 terms are calculated by integrating the products of the dynamic electric polarizabilities of the individual atoms at imaginary frequencies, which are in turn obtained by solving a system of coupled inhomogeneous differential equations. The triplet state spectrum of the rare gases atoms is described by precise l-dependent one-electron model potentials. Numerical results for the C_6, C_8, and C_10 dispersion coefficients for homonuclear and heteronuclear metastable rare gases diatoms are presented.
Simulating superradiance from higher-order-intensity-correlation measurements: Single atoms
NASA Astrophysics Data System (ADS)
Wiegner, R.; Oppel, S.; Bhatti, D.; von Zanthier, J.; Agarwal, G. S.
2015-09-01
Superradiance typically requires preparation of atoms in highly entangled multiparticle states, the so-called Dicke states. In this paper we discuss an alternative route where we prepare such states from initially uncorrelated atoms by a measurement process. By measuring higher-order intensity-intensity correlations we demonstrate that we can simulate the emission characteristics of Dicke superradiance by starting with atoms in the fully excited state. We describe the essence of the scheme by first investigating two excited atoms. Here we demonstrate how via Hanbury Brown and Twiss type of measurements we can produce Dicke superradiance and subradiance displayed commonly with two atoms in the single excited symmetric and antisymmetric Dicke states, respectively. We thereafter generalize the scheme to arbitrary numbers of atoms and detectors, and explain in detail the mechanism which leads to this result. The approach shows that the Hanbury Brown and Twiss type of intensity interference and the phenomenon of Dicke superradiance can be regarded as two sides of the same coin. We also present a compact result for the characteristic functional which generates all order intensity-intensity correlations.
Cooling rate dependence of structural order in Al90Sm10 metallic glass
NASA Astrophysics Data System (ADS)
Sun, Yang; Zhang, Yue; Zhang, Feng; Ye, Zhuo; Ding, Zejun; Wang, Cai-Zhuang; Ho, Kai-Ming
2016-07-01
The atomic structure of Al90Sm10 metallic glass is studied using molecular dynamics simulations. By performing a long sub-Tg annealing, we developed a glass model closer to the experiments than the models prepared by continuous cooling. Using the cluster alignment method, we found that "3661" cluster is the dominating short-range order in the glass samples. The connection and arrangement of "3661" clusters, which define the medium-range order in the system, are enhanced significantly in the sub-Tg annealed sample as compared with the fast cooled glass samples. Unlike some strong binary glass formers such as Cu64.5Zr35.5, the clusters representing the short-range order do not form an interconnected interpenetrating network in Al90Sm10, which has only marginal glass formability.
Long-Range Order in Nanocrystal Assemblies Determines Charge Transport of Films
Sainato, Michela; Shevitski, Brian; Sahu, Ayaskanta; ...
2017-07-18
Self-assembly of semiconductor nanocrystals (NCs) into two-dimensional patterns or three-dimensional (2- 3D) superstructures has emerged as a promising low-cost route to generate thin-film transistors and solar cells with superior charge transport because of enhanced electronic coupling between the NCs. Here, we show that lead sulfide (PbS) NCs solids featuring either short-range (disordered glassy solids, GSs) or long-range (superlattices, SLs) packing order are obtained solely by controlling deposition conditions of colloidal solution of NCs. In this study, we demonstrate the use of the evaporation-driven self-assembly method results in PbS NC SL structures that are observed over an area of 1 mmmore » × 100 μm, with long-range translational order of up to 100 nm. A number of ordered domains appear to have nucleated simultaneously and grown together over the whole area, imparting a polycrystalline texture to the 3D SL films. By contrast, a conventional, optimized spin-coating deposition method results in PbS NC glassy films with no translational symmetry and much shorter-range packing order in agreement with state-of-the-art reports. Further, we investigate the electronic properties of both SL and GS films, using a field-effect transistor configuration as a test platform. The long-range ordering of the PbS NCs into SLs leads to semiconducting NC-based solids, the mobility (μ) of which is 3 orders of magnitude higher than that of the disordered GSs. Furthemore, although spin-cast GSs of PbS NCs have weak ambipolar behavior with limited gate tunability, SLs of PbS NCs show a clear p-type behavior with significantly higher conductivities.« less
Accurate classical short-range forces for the study of collision cascades in Fe–Ni–Cr
Béland, Laurent Karim; Tamm, Artur; Mu, Sai; ...
2017-05-10
The predictive power of a classical molecular dynamics simulation is largely determined by the physical validity of its underlying empirical potential. In the case of high-energy collision cascades, it was recently shown that correctly modeling interactions at short distances is necessary to accurately predict primary damage production. An ab initio based framework is introduced for modifying an existing embedded-atom method FeNiCr potential to handle these short-range interactions. Density functional theory is used to calculate the energetics of two atoms approaching each other, embedded in the alloy, and to calculate the equation of state of the alloy as it is compressed.more » The pairwise terms and the embedding terms of the potential are modi ed in accordance with the ab initio results. Using this reparametrized potential, collision cascades are performed in Ni 50Fe 50, Ni 80Cr 20 and Ni 33Fe 33Cr 33. The simulations reveal that alloying Ni and NiCr to Fe reduces primary damage production, in agreement with some previous calculations. Alloying Ni and NiFe to Cr does not reduce primary damage production, in contradiction with previous calculations.« less
Novel ways of creating and detecting topological order with cold atoms and ions
NASA Astrophysics Data System (ADS)
Lewenstein, Maciej
2015-03-01
In my talk I will focus on novel physics and novel quantum phases that are expected in lattice systems of ultra-cold atoms or ions in synthetic gauge fields, generated via lattice modulations and shaking. I will discuss fractal energy spectra and topological phases in long-range spin chains realized with trapped ions or atoms in nanofibers, and synthetic gauge fields in synthetic dimensions. I will spend large part of the talk discussing the ways to detect topological effects and order, via tomography of band insulators from quench dynamics, or via direct imaging of topological edge states. This work was supported by ERC AdG OSYRIS, EU IP SIQS, EU STREP EQUAM and Spanish Ministry Grant FOQUS.
Atomic-order thermal nitridation of group IV semiconductors for ultra-large-scale integration
NASA Astrophysics Data System (ADS)
Murota, Junichi; Le Thanh, Vinh
2015-03-01
One of the main requirements for ultra-large-scale integration (ULSI) is atomic-order control of process technology. Our concept of atomically controlled processing for group IV semiconductors is based on atomic-order surface reaction control in Si-based CVD epitaxial growth. On the atomic-order surface nitridation of a few nm-thick Ge/about 4 nm-thick Si0.5Ge0.5/Si(100) by NH3, it is found that N atoms diffuse through nm-order thick Ge layer into Si0.5Ge0.5/Si(100) substrate and form Si nitride, even at 500 °C. By subsequent H2 heat treatment, although N atomic amount in Ge layer is reduced drastically, the reduction of the Si nitride is slight. It is suggested that N diffusion in Ge layer is suppressed by the formation of Si nitride and that Ge/atomic-order N layer/Si1-xGex/Si (100) heterostructure is formed. These results demonstrate the capability of CVD technology for atomically controlled nitridation of group IV semiconductors for ultra-large-scale integration. Invited talk at the 7th International Workshop on Advanced Materials Science and Nanotechnology IWAMSN2014, 2-6 November, 2014, Ha Long, Vietnam.
Short-range correlation in high-momentum antisymmetrized molecular dynamics
NASA Astrophysics Data System (ADS)
Myo, Takayuki
2018-03-01
We propose a new variational method for treating short-range repulsion of bare nuclear force for nuclei in antisymmetrized molecular dynamics (AMD). In AMD, the short-range correlation is described in terms of large imaginary centroids of Gaussian wave packets of nucleon pairs in opposite signs, causing high-momentum components in the nucleon pairs. We superpose these AMD basis states and call this method "high-momentum AMD" (HM-AMD), which is capable of describing the strong tensor correlation [T. Myo et al., Prog. Theor. Exp. Phys., 2017, 111D01 (2017)]. In this letter, we extend HM-AMD by including up to two kinds of nucleon pairs in each AMD basis state utilizing the cluster expansion, which produces many-body correlations involving high-momentum components. We investigate how well HM-AMD describes the short-range correlation by showing the results for ^3H using the Argonne V4^' central potential. It is found that HM-AMD reproduces the results of few-body calculations and also the tensor-optimized AMD. This means that HM-AMD is a powerful approach to describe the short-range correlation in nuclei. In HM-AMD, the momentum directions of nucleon pairs isotropically contribute to the short-range correlation, which is different from the tensor correlation.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kim, S.; Jang, H.M.
1997-08-01
A classification scheme of Pb(B{sup {prime}}{sub 1/2}B{sup {prime}{prime}}{sub 1/2})O{sub 3}-type perovskites with respect to the B-site order parameters was proposed based on the theoretical calculation of the short-range order parameter ({sigma}) using the pair-correlation model. The calculated order parameters predict that a Pb(B{sup {prime}}{sub 1/2}B{sup {prime}{prime}}{sub 1/2})O{sub 3}-type perovskite without any charge difference between B{sup {prime}} and B{sup {prime}{prime}} cations [e.g., Pb(Zr{sub 1/2}Ti{sub 1/2})O{sub 3} (PZT)] is represented by a completely disordered state with the absence of a finite coherence length. On the other hand, a Pb(B{sup {prime}}{sub 1/2}B{sup {prime}{prime}}{sub 1/2})O{sub 3} type perovskite system having different ionic charges ismore » characterized either by the short-range ordering with a nanoscale coherence length or by the macroscopic long-range ordering, depending on the magnitude of ionic charge difference between B{sup {prime}} and B{sup {prime}{prime}} ions. The normal ferroelectricity in Pb(B{sup {prime}}{sub 1/2}B{sup {prime}{prime}}{sub 1/2})O{sub 3}-type complex perovskites was then correlated either with a completely disordered state ({sigma}=0) or with a perfectly ordered state ({sigma}=1), whereas the relaxor behavior was attributed to the nanoscale short-range ordering (0{lt}{sigma}{lt}1) in the configuration of the B-site cations. {copyright} {ital 1997 Materials Research Society.}« less
Magnetic order in a frustrated two-dimensional atom lattice at a semiconductor surface.
Li, Gang; Höpfner, Philipp; Schäfer, Jörg; Blumenstein, Christian; Meyer, Sebastian; Bostwick, Aaron; Rotenberg, Eli; Claessen, Ralph; Hanke, Werner
2013-01-01
Two-dimensional electron systems, as exploited for device applications, can lose their conducting properties because of local Coulomb repulsion, leading to a Mott-insulating state. In triangular geometries, any concomitant antiferromagnetic spin ordering can be prevented by geometric frustration, spurring speculations about 'melted' phases, known as spin liquid. Here we show that for a realization of a triangular electron system by epitaxial atom adsorption on a semiconductor, such spin disorder, however, does not appear. Our study compares the electron excitation spectra obtained from theoretical simulations of the correlated electron lattice with data from high-resolution photoemission. We find that an unusual row-wise antiferromagnetic spin alignment occurs that is reflected in the photoemission spectra as characteristic 'shadow bands' induced by the spin pattern. The magnetic order in a frustrated lattice of otherwise non-magnetic components emerges from longer-range electron hopping between the atoms. This finding can offer new ways of controlling magnetism on surfaces.
Cs 62 DJ Rydberg-atom macrodimers formed by long-range multipole interaction
NASA Astrophysics Data System (ADS)
Han, Xiaoxuan; Bai, Suying; Jiao, Yuechun; Hao, Liping; Xue, Yongmei; Zhao, Jianming; Jia, Suotang; Raithel, Georg
2018-03-01
Long-range macrodimers formed by D -state cesium Rydberg atoms are studied in experiments and calculations. Cesium [62DJ]2 Rydberg-atom macrodimers, bonded via long-range multipole interaction, are prepared by two-color photoassociation in a cesium atom trap. The first color (pulse A) resonantly excites seed Rydberg atoms, while the second (pulse B, detuned by the molecular binding energy) resonantly excites the Rydberg-atom macrodimers below the [62DJ]2 asymptotes. The molecules are measured by extraction of autoionization products and Rydberg-atom electric-field ionization, and ion detection. Molecular spectra are compared with calculations of adiabatic molecular potentials. From the dependence of the molecular signal on the detection delay time, the lifetime of the molecules is estimated to be 3 -6 μ s .
NASA Astrophysics Data System (ADS)
Riest, Jonas; Nägele, Gerhard; Liu, Yun; Wagner, Norman J.; Godfrin, P. Douglas
2018-02-01
Recently, atypical static features of microstructural ordering in low-salinity lysozyme protein solutions have been extensively explored experimentally and explained theoretically based on a short-range attractive plus long-range repulsive (SALR) interaction potential. However, the protein dynamics and the relationship to the atypical SALR structure remain to be demonstrated. Here, the applicability of semi-analytic theoretical methods predicting diffusion properties and viscosity in isotropic particle suspensions to low-salinity lysozyme protein solutions is tested. Using the interaction potential parameters previously obtained from static structure factor measurements, our results of Monte Carlo simulations representing seven experimental lysoyzme samples indicate that they exist either in dispersed fluid or random percolated states. The self-consistent Zerah-Hansen scheme is used to describe the static structure factor, S(q), which is the input to our calculation schemes for the short-time hydrodynamic function, H(q), and the zero-frequency viscosity η. The schemes account for hydrodynamic interactions included on an approximate level. Theoretical predictions for H(q) as a function of the wavenumber q quantitatively agree with experimental results at small protein concentrations obtained using neutron spin echo measurements. At higher concentrations, qualitative agreement is preserved although the calculated hydrodynamic functions are overestimated. We attribute the differences for higher concentrations and lower temperatures to translational-rotational diffusion coupling induced by the shape and interaction anisotropy of particles and clusters, patchiness of the lysozyme particle surfaces, and the intra-cluster dynamics, features not included in our simple globular particle model. The theoretical results for the solution viscosity, η, are in qualitative agreement with our experimental data even at higher concentrations. We demonstrate that semi
Short-range airborne transmission of expiratory droplets between two people.
Liu, L; Li, Y; Nielsen, P V; Wei, J; Jensen, R L
2017-03-01
The occurrence of close proximity infection for many respiratory diseases is often cited as evidence of large droplet and/or close contact transmission. We explored interpersonal exposure of exhaled droplets and droplet nuclei of two standing thermal manikins as affected by distance, humidity, ventilation, and breathing mode. Under the specific set of conditions studied, we found a substantial increase in airborne exposure to droplet nuclei exhaled by the source manikin when a susceptible manikin is within about 1.5 m of the source manikin, referred to as the proximity effect. The threshold distance of about 1.5 m distinguishes the two basic transmission processes of droplets and droplet nuclei, that is, short-range modes and the long-range airborne route. The short-range modes include both the conventional large droplet route and the newly defined short-range airborne transmission. We thus reveal that transmission occurring in close proximity to the source patient includes both droplet-borne (large droplet) and short-range airborne routes, in addition to the direct deposition of large droplets on other body surfaces. The mechanisms of the droplet-borne and short-range airborne routes are different; their effective control methods also differ. Neither the current droplet precautions nor dilution ventilation prevents short-range airborne transmission, so new control methods are needed. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.
Quantitative force measurements in liquid using frequency modulation atomic force microscopy
NASA Astrophysics Data System (ADS)
Uchihashi, Takayuki; Higgins, Michael J.; Yasuda, Satoshi; Jarvis, Suzanne P.; Akita, Seiji; Nakayama, Yoshikazu; Sader, John E.
2004-10-01
The measurement of short-range forces with the atomic force microscope (AFM) typically requires implementation of dynamic techniques to maintain sensitivity and stability. While frequency modulation atomic force microscopy (FM-AFM) is used widely for high-resolution imaging and quantitative force measurements in vacuum, quantitative force measurements using FM-AFM in liquids have proven elusive. Here we demonstrate that the formalism derived for operation in vacuum can also be used in liquids, provided certain modifications are implemented. To facilitate comparison with previous measurements taken using surface forces apparatus, we choose a model system (octamethylcyclotetrasiloxane) that is known to exhibit short-ranged structural ordering when confined between two surfaces. Force measurements obtained are found to be in excellent agreement with previously reported results. This study therefore establishes FM-AFM as a powerful tool for the quantitative measurement of forces in liquid.
Long range magnetic ordering of ultracold fermions in an optical lattice
NASA Astrophysics Data System (ADS)
Duarte, P. M.; Hart, R. A.; Yang, T.-L.; Hulet, R. G.
2013-05-01
We present progress towards the observation of long range antiferromagnetic (AFM) ordering of fermionic 6Li atoms in an optical lattice. We prepare a two spin state mixture of 106 atoms at T /TF = 0 . 1 by evaporatively cooling in an optical dipole trap. The sample is then transferred to a dimple trap formed by three retroreflected laser beams at 1064 nm that propagate in orthogonal directions. The polarization of the retroreflected light is controlled using liquid crystal retarders, which allow us to adiabatically transform the dimple trap into a 3D lattice. Overlapped with each of the three dimple/lattice beams is a beam at 532 nm, which can cancel the harmonic confinement and flatten the band structure in the lattice. This setup offers the possibility of implementing proposed schemes which enlarge the size of the AFM phase in the trap. As a probe for AFM we use Bragg scattering of light. We have observed Bragg scattering off of the (100) lattice planes, and using an off-angle probe we can see the diffuse scattering from the sample which serves as background for the small signals expected before the onset of AFM ordering. Supported by NSF, ONR, DARPA, and the Welch Foundation.
de la Torre, B; Ellner, M; Pou, P; Nicoara, N; Pérez, Rubén; Gómez-Rodríguez, J M
2016-06-17
We show that noncontact atomic force microscopy (AFM) is sensitive to the local stiffness in the atomic-scale limit on weakly coupled 2D materials, as graphene on metals. Our large amplitude AFM topography and dissipation images under ultrahigh vacuum and low temperature resolve the atomic and moiré patterns in graphene on Pt(111), despite its extremely low geometric corrugation. The imaging mechanisms are identified with a multiscale model based on density-functional theory calculations, where the energy cost of global and local deformations of graphene competes with short-range chemical and long-range van der Waals interactions. Atomic contrast is related with short-range tip-sample interactions, while the dissipation can be understood in terms of global deformations in the weakly coupled graphene layer. Remarkably, the observed moiré modulation is linked with the subtle variations of the local interplanar graphene-substrate interaction, opening a new route to explore the local mechanical properties of 2D materials at the atomic scale.
Role of short-range correlation in facilitation of wave propagation in a long-range ladder chain
NASA Astrophysics Data System (ADS)
Farzadian, O.; Niry, M. D.
2018-09-01
We extend a new method for generating a random chain, which has a kind of short-range correlation induced by a repeated sequence while retaining long-range correlation. Three distinct methods are considered to study the localization-delocalization transition of mechanical waves in one-dimensional disordered media with simultaneous existence of short and long-range correlation. First, a transfer-matrix method was used to calculate numerically the localization length of a wave in a binary chain. We found that the existence of short-range correlation in a long-range correlated chain can increase the localization length at the resonance frequency Ωc. Then, we carried out an analytical study of the delocalization properties of the waves in correlated disordered media around Ωc. Finally, we apply a dynamical method based on the direct numerical simulation of the wave equation to study the propagation of waves in the correlated chain. Imposing short-range correlation on the long-range background will lead the propagation to super-diffusive transport. The results obtained with all three methods are in agreement with each other.
Covalent bond orders and atomic valences from correlated wavefunctions
NASA Astrophysics Data System (ADS)
Ángyán, János G.; Rosta, Edina; Surján, Péter R.
1999-01-01
A comparison is made between two alternative definitions for covalent bond orders: one derived from the exchange part of the two-particle density matrix and the other expressed as the correlation of fluctuations (covariance) of the number of electrons between the atomic centers. Although these definitions lead to identical formulae for mono-determinantal SCF wavefunctions, they predict different bond orders for correlated wavefunctions. It is shown that, in this case, the fluctuation-based definition leads to slightly lower values of the bond order than does the exchange-based definition, provided one uses an appropriate space-partitioning technique like that of Bader's topological theory of atoms in a molecule; however, use of Mulliken partitioning in this context leads to unphysical behaviour. The example of H 2 is discussed in detail.
Cooling rate dependence of structural order in Al 90Sm 10 metallic glass
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sun, Yang; Zhang, Yue; Zhang, Feng
2016-07-07
Here, the atomic structure of Al 90Sm 10 metallic glass is studied using molecular dynamics simulations. By performing a long sub-T g annealing, we developed a glass model closer to the experiments than the models prepared by continuous cooling. Using the cluster alignment method, we found that “3661” cluster is the dominating short-range order in the glass samples. The connection and arrangement of “3661” clusters, which define the medium-range order in the system, are enhanced significantly in the sub-T g annealed sample as compared with the fast cooled glass samples. Unlike some strong binary glass formers such as Cu 64.5Zrmore » 35.5, the clusters representing the short-range order do not form an interconnected interpenetrating network in Al 90Sm 10, which has only marginal glass formability.« less
NIMROD: The Near and InterMediate Range Order Diffractometer of the ISIS second target station.
Bowron, D T; Soper, A K; Jones, K; Ansell, S; Birch, S; Norris, J; Perrott, L; Riedel, D; Rhodes, N J; Wakefield, S R; Botti, A; Ricci, M-A; Grazzi, F; Zoppi, M
2010-03-01
NIMROD is the Near and InterMediate Range Order Diffractometer of the ISIS second target station. Its design is optimized for structural studies of disordered materials and liquids on a continuous length scale that extends from the atomic, upward of 30 nm, while maintaining subatomic distance resolution. This capability is achieved by matching a low and wider angle array of high efficiency neutron scintillation detectors to the broad band-pass radiation delivered by a hybrid liquid water and liquid hydrogen neutron moderator assembly. The capabilities of the instrument bridge the gap between conventional small angle neutron scattering and wide angle diffraction through the use of a common calibration procedure for the entire length scale. This allows the instrument to obtain information on nanoscale systems and processes that are quantitatively linked to the local atomic and molecular order of the materials under investigation.
NASA Astrophysics Data System (ADS)
You, K.; Flemings, P. B.
2016-12-01
We developed two 2-D numerical models to simulate hydrate formation by long range methane gas transport and short-range methane diffusion. We interpret that methane hydrates in thick sands are most likely formed by long range gas transport where methane gas is transported upward into the hydrate stability zone (HSZ) under buoyancy and locally forms hydrate to its stability limit. In short-range methane diffusion, methane is generated locally by biodegradation of organic matter in mud and diffused into bounding sands where it forms hydrate. We could not simulate enough methane transport by diffusion to account for its observed concentration in thick sands. In our models, we include the capillary effect on dissolved methane solubility and on the hydrate phase boundary, sedimentation and different compaction in sand and mud, fracture generation as well as the fully coupled multiphase flow and multicomponent transport. We apply our models to a 12 meter-thick hydrate-bearing sand layer at Walker Ridge 313, Northern Gulf of Mexico. With the long-range gas transport, hydrate saturation is greater than 90% and salinity is increased from seawater to about 8 wt.% through the entire sand. With short-range diffusion, hydrate saturation is more than 90% at the sand base and is less than 10% in the overlying section; salinity is close to seawater when sand is deposited to 800 meter below seafloor by short-range methane diffusion. With short-range diffusion, the amount of hydrate formed is much less than that interpreted from the well log data. Two transient gas layers separated by a hydrate layer are formed from short-range diffusion caused by capillary effect. This could be interpreted as a double bottom simulating reflector. This study provides further insights into different hydrate formation mechanisms, and could serve as a base to confirm the hydrate formation mechanism in fields.
NASA Astrophysics Data System (ADS)
Celtek, M.; Sengul, S.
2018-03-01
In the present work, the glass formation process and structural properties of Zr50Cu50-xCox (0 ≤ x ≤ 50) bulk metallic glasses were investigated by a molecular dynamics simulation with the many body tight-binding potentials. The evolution of structure and glass formation process with temperature were discussed using the coordination number, the radial distribution functions, the volume-temperature curve, icosahedral short-range order, glass transition temperature, Voronoi analysis, Honeycutt-Andersen pair analysis technique and the distribution of bond-angles. Results indicate that adding Co causes similar responses on the nature of the Zr50Cu50-xCox (0 ≤ x ≤ 50) alloys except for higher glass transition temperature and ideal icosahedral type ordered local atomic environment. Also, the differences of the atomic radii play the key role in influencing the atomic structure of these alloys. Both Cu and Co atoms play a significant role in deciding the chemical and topological short-range orders of the Zr50Cu50-xCox ternary liquids and amorphous alloys. The glass-forming ability of these alloys is supported by the experimental observations reported in the literature up to now.
Magnetic order of intermetallic FeGa3 -yGey studied by μ SR and 57Fe Mössbauer spectroscopy
NASA Astrophysics Data System (ADS)
Munevar, J.; Cabrera-Baez, M.; Alzamora, M.; Larrea, J.; Bittar, E. M.; Baggio-Saitovitch, E.; Litterst, F. J.; Ribeiro, R. A.; Avila, M. A.; Morenzoni, E.
2017-03-01
Temperature-dependent magnetization, muon spin rotation, and 57Fe Mössbauer spectroscopy experiments performed on crystals of intermetallic FeGa3 -yGey (y =0.11 ,0.14 ,0.17 ,0.22 ,0.27 ,0.29 ,0.32 ) are reported. Whereas at y =0.11 even a sensitive magnetic microprobe such as μ SR does not detect magnetism, all other samples display weak ferromagnetism with a magnetic moment of up to 0.22 μB per Fe atom. As a function of doping and of temperature, a crossover from short-range to long-range magnetic order is observed, characterized by a broadly distributed spontaneous internal field. However, y =0.14 and 0.17 remain in the short-range-ordered state down to the lowest investigated temperature. The transition from short-range to long-range order appears to be accompanied by a change of the character of the spin fluctuations, which exhibit a spin-wave excitation signature in the long-range-order part of the phase diagram. Mössbauer spectroscopy for y =0.27 and 0.32 indicates that the internal field lies in the plane perpendicular to the crystallographic c axis. The field distribution and its evolution with doping suggest that the details of the Fe magnetic moment formation and the consequent magnetic state are determined not only by the dopant concentration, but also by the way the replacement of the Ga atoms surrounding the Fe is accomplished.
Glass formation and short-range order structures in the BaS + La 2S 3 + GeS 2 system
DOE Office of Scientific and Technical Information (OSTI.GOV)
Roth, Josh R.; Martin, Steve W.; Ballato, John
Here, infrared (IR) optical materials have enabled a broad range of optical sensing and measurement applications in the mid-wave and long-wave IR. Many IR transmitting glasses are based on covalently-bonded selenides and tellurides, such as As 2Se 3 and GeTe 2, which typically have relatively low glass transition temperatures ( T g) on the order of 200 to 350 °C. Many applications have working temperatures above the T g of these materials, which compels the development of new IR materials. This work studies the underlying short-range order (SRO) structure and glass formability of a new family of ionically-bonded sulfide glasses,more » xBaS + yLa 2S 3 + (1 – x – y)GeS 2, to develop high T g optical materials with a broad IR transmission range. These sulfide glasses were produced by melting sulfide materials inside evacuated and sealed carbon-coated silica ampoules at 1150 °C for 12 h and quenching to room temperature to form glass. Glass samples were then characterized by IR and Raman spectroscopies and differential thermal analysis (DTA). It was found that by increasing the modifier concentration, the predominantly Ge 4 SRO units, the superscript defines the number of bridging sulfur (BS) ions in the tetrahedral network found in GeS 2 glasses, are ultimately converted to Ge 0 units at >40 mol% network modifier content through the generation of non-bridging sulfur (NBS) ions. These molecular ionic units still form a glassy network, with some of the highest reported T g values to date for a pure sulfide glass. This suggests that this composition has strong ionic bonds between negatively-charged tetrahedral SRO units and the positively-charged modifier cations. While the glass network is depolymerized in the high modifier content glasses though the formation of a high concentration of molecular ionic Ge 0 SRO groups, they are, nevertheless, homogeneous glassy materials that exhibit the largest T g and Δ T (difference between crystallization temperature, T c
Glass formation and short-range order structures in the BaS + La 2S 3 + GeS 2 system
Roth, Josh R.; Martin, Steve W.; Ballato, John; ...
2018-06-01
Here, infrared (IR) optical materials have enabled a broad range of optical sensing and measurement applications in the mid-wave and long-wave IR. Many IR transmitting glasses are based on covalently-bonded selenides and tellurides, such as As 2Se 3 and GeTe 2, which typically have relatively low glass transition temperatures ( T g) on the order of 200 to 350 °C. Many applications have working temperatures above the T g of these materials, which compels the development of new IR materials. This work studies the underlying short-range order (SRO) structure and glass formability of a new family of ionically-bonded sulfide glasses,more » xBaS + yLa 2S 3 + (1 – x – y)GeS 2, to develop high T g optical materials with a broad IR transmission range. These sulfide glasses were produced by melting sulfide materials inside evacuated and sealed carbon-coated silica ampoules at 1150 °C for 12 h and quenching to room temperature to form glass. Glass samples were then characterized by IR and Raman spectroscopies and differential thermal analysis (DTA). It was found that by increasing the modifier concentration, the predominantly Ge 4 SRO units, the superscript defines the number of bridging sulfur (BS) ions in the tetrahedral network found in GeS 2 glasses, are ultimately converted to Ge 0 units at >40 mol% network modifier content through the generation of non-bridging sulfur (NBS) ions. These molecular ionic units still form a glassy network, with some of the highest reported T g values to date for a pure sulfide glass. This suggests that this composition has strong ionic bonds between negatively-charged tetrahedral SRO units and the positively-charged modifier cations. While the glass network is depolymerized in the high modifier content glasses though the formation of a high concentration of molecular ionic Ge 0 SRO groups, they are, nevertheless, homogeneous glassy materials that exhibit the largest T g and Δ T (difference between crystallization temperature, T c
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chithra Lekha, P.; Ramesh, G.; Revathi, 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 ofmore » 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.« less
Sweetman, Adam; Stannard, Andrew
2014-01-01
In principle, non-contact atomic force microscopy (NC-AFM) now readily allows for the measurement of forces with sub-nanonewton precision on the atomic scale. In practice, however, the extraction of the often desired 'short-range' force from the experimental observable (frequency shift) is often far from trivial. In most cases there is a significant contribution to the total tip-sample force due to non-site-specific van der Waals and electrostatic forces. Typically, the contribution from these forces must be removed before the results of the experiment can be successfully interpreted, often by comparison to density functional theory calculations. In this paper we compare the 'on-minus-off' method for extracting site-specific forces to a commonly used extrapolation method modelling the long-range forces using a simple power law. By examining the behaviour of the fitting method in the case of two radically different interaction potentials we show that significant uncertainties in the final extracted forces may result from use of the extrapolation method.
Nonperturbative theory of atom-surface interaction: corrections at short separations
NASA Astrophysics Data System (ADS)
Bordag, M.; Klimchitskaya, G. L.; Mostepanenko, V. M.
2018-02-01
The nonperturbative expressions for the free energy and force of interaction between a ground-state atom and a real-material surface at any temperature are presented. The transition to the Matsubara representation is performed, whereupon the comparison is made with the commonly used perturbative results based on the standard Lifshitz theory. It is shown that the Lifshitz formulas for the free energy and force of an atom-surface interaction follow from the nonperturbative ones in the lowest order of the small parameter. Numerical computations of the free energy and force for the atoms of He{\\hspace{0pt}}\\ast and Na interacting with a surface of an Au plate have been performed using the frequency-dependent dielectric permittivity of Au and highly accurate dynamic atomic polarizabilities in the framework of both the nonperturbative and perturbative theories. According to our results, the maximum deviations between the two theories are reached at the shortest atom-surface separations of about 1 nm. Simple analytic expressions for the atom-surface free energy are derived in the classical limit and for an ideal-metal plane. In the lowest order of the small parameter, they are found in agreement with the perturbative ones following from the standard Lifshitz theory. Possible applications of the obtained results in the theory of van der Waals adsorption are discussed.
Intensity-dependent atomic-phase effects in high-order harmonic generation
NASA Astrophysics Data System (ADS)
Peatross, J.; Meyerhofer, D. D.
1995-11-01
The far-field angular distributions of high-order harmonics of a 1054-nm laser, with orders ranging from the lower teens to the upper thirties, have been measured in thin, low-density Ar, Kr, and Xe targets. The 1.25-times-diffraction-limited, 1.4-ps-duration, Gaussian laser pulses were focused to intensities ranging from 3×1013 to 3×1014 W/cm2, using f/70 optics. A gas target localized the gas distribution near the laser focus to a thickness of about 1 mm at pressures as low as 0.3 Torr. The weak focusing geometry and the low gas pressures created experimental conditions for which the harmonics could be thought of as emerging from a plane at the laser focus rather than a three-dimensional volume. The far-field distributions of nearly all of the harmonics exhibit narrow central peaks surrounded by broad wings of about the same angular divergence as the emerging laser beam. The spatial wings are due to an intensity-dependent phase variation among the dipole moments of the individual target atoms. This phase variation gives rise to broad spatial interferences in the scattered light due to the radial and temporal variation of the laser intensity.
OMV--Short Range Vehicle Concept
NASA Technical Reports Server (NTRS)
1986-01-01
In this 1986 artist's concept, the Orbital Maneuvering Vehicle (OMV), is shown without its main propulsion module. Essentially two propulsion vehicles in one, the OMV could be powered by a main propulsion module , or, in its short range vehicle configuration shown here, use its own hydrazine and cold gas thrusters. As envisioned by Marshall Space Flight Center plarners, the OMV would be a remotely-controlled free-flying space tug which would place, rendezvous, dock, and retrieve orbital payloads.
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.
Dedicated short-range communications roadside unit specifications.
DOT National Transportation Integrated Search
2017-04-28
The Intelligent Transportation Systems (ITS) Program definition of connected vehicles includes both 5.9 Gigahertz (GHz) Dedicated Short Range Communications (DSRC) and non-DSRC technologies as means of facilitating communication for vehicle-to-vehicl...
Detecting magnetic ordering with atomic size electron probes
Idrobo, Juan Carlos; Rusz, Ján; Spiegelberg, Jakob; ...
2016-05-27
While magnetism originates at the atomic scale, the existing spectroscopic techniques sensitive to magnetic signals only produce spectra with spatial resolution on a larger scale. However, recently, it has been theoretically argued that atomic size electron probes with customized phase distributions can detect magnetic circular dichroism. Here, we report a direct experimental real-space detection of magnetic circular dichroism in aberration-corrected scanning transmission electron microscopy (STEM). Using an atomic size-aberrated electron probe with a customized phase distribution, we reveal the checkerboard antiferromagnetic ordering of Mn moments in LaMnAsO by observing a dichroic signal in the Mn L-edge. The novel experimental setupmore » presented here, which can easily be implemented in aberration-corrected STEM, opens new paths for probing dichroic signals in materials with unprecedented spatial resolution.« less
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.
Short-channel field-effect transistors with 9-atom and 13-atom wide graphene nanoribbons
DOE Office of Scientific and Technical Information (OSTI.GOV)
Llinas, Juan Pablo; Fairbrother, Andrew; Borin Barin, Gabriela
Bottom-up synthesized graphene nanoribbons and graphene nanoribbon heterostructures have promising electronic properties for high-performance field-effect transistors and ultra-low power devices such as tunneling field-effect transistors. However, the short length and wide band gap of these graphene nanoribbons have prevented the fabrication of devices with the desired performance and switching behavior. Here, by fabricating short channel (L ch ~ 20 nm) devices with a thin, high-κ gate dielectric and a 9-atom wide (0.95 nm) armchair graphene nanoribbon as the channel material, we demonstrate field-effect transistors with high on-current (I on > 1 μA at V d = -1 V) and highmore » I on /I off ~ 10 5 at room temperature. We find that the performance of these devices is limited by tunneling through the Schottky barrier at the contacts and we observe an increase in the transparency of the barrier by increasing the gate field near the contacts. Our results thus demonstrate successful fabrication of high-performance short-channel field-effect transistors with bottom-up synthesized armchair graphene nanoribbons.« less
Short-channel field-effect transistors with 9-atom and 13-atom wide graphene nanoribbons
Llinas, Juan Pablo; Fairbrother, Andrew; Borin Barin, Gabriela; ...
2017-09-21
Bottom-up synthesized graphene nanoribbons and graphene nanoribbon heterostructures have promising electronic properties for high-performance field-effect transistors and ultra-low power devices such as tunneling field-effect transistors. However, the short length and wide band gap of these graphene nanoribbons have prevented the fabrication of devices with the desired performance and switching behavior. Here, by fabricating short channel (L ch ~ 20 nm) devices with a thin, high-κ gate dielectric and a 9-atom wide (0.95 nm) armchair graphene nanoribbon as the channel material, we demonstrate field-effect transistors with high on-current (I on > 1 μA at V d = -1 V) and highmore » I on /I off ~ 10 5 at room temperature. We find that the performance of these devices is limited by tunneling through the Schottky barrier at the contacts and we observe an increase in the transparency of the barrier by increasing the gate field near the contacts. Our results thus demonstrate successful fabrication of high-performance short-channel field-effect transistors with bottom-up synthesized armchair graphene nanoribbons.« less
Short-range components of nuclear forces: Experiment versus mythology
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kukulin, V. I.; Platonova, M. N., E-mail: platonova@nucl-th.sinp.msu.ru
2013-12-15
The present-day situation around the description of various (central, spin-orbit, and tensor) components of short-range nuclear forces is discussed. A traditional picture of these interactions based on the idea of one-meson exchange is contrasted against numerous results of recent experiments. As is shown in the present study, these results often deviate strongly from the predictions of traditional models. One can therefore state that such models are inapplicable to describing short-range nuclear forces and that it is necessary to go over from a traditional description to some alternative QCD-based (or QCD-motivated) picture. This means that, despite the widespread popularity of traditionalmore » concepts of short-range nuclear forces and their applicability in many particular cases, these concepts are not more than scientific myths that show their inconsistency when analyzed from the viewpoint of the modern experiment.« less
Atomic force microscopy of hydrated phosphatidylethanolamine bilayers.
Zasadzinski, J A; Helm, C A; Longo, M L; Weisenhorn, A L; Gould, S A; Hansma, P K
1991-01-01
We present images of the polar or headgroup regions of bilayers of dimyristoyl-phosphatidylethanolamine (DMPE), deposited by Langmuir-Blodgett deposition onto mica substrates at high surface pressures and imaged under water at room temperature with the optical lever atomic force microscope. The lattice structure of DMPE is visualized with sufficient resolution that the location of individual headgroups can be determined. The forces are sufficiently small that the same area can be repeatedly imaged with a minimum of damage. The DMPE molecules in the bilayer appear to have relatively good long-range orientational order, but rather short-range and poor positional order. These results are in good agreement with x-ray measurements of unsupported lipid monolayers on the water surface, and with electron diffraction of adsorbed monolayers. Images FIGURE 1 FIGURE 2 PMID:2049529
Deciphering chemical order/disorder and material properties at the single-atom level.
Yang, Yongsoo; Chen, Chien-Chun; Scott, M C; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R C; Sabirianov, Renat F; Zeng, Hao; Ercius, Peter; Miao, Jianwei
2017-02-01
Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling 'real' materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure-property relationships at the fundamental level.
Deciphering chemical order/disorder and material properties at the single-atom level
Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.; ...
2017-02-01
Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily onmore » average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. The work presented here combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Singh, Harishchandra, E-mail: singh85harish@gmail.com, E-mail: singh85harish@rrcat.gov.in; Ghosh, Haranath; Indus Synchrotrons Utilization Division, Raja Ramanna Center for Advanced Technology, Indore 452013
2016-01-28
We report observation of magneto-electric and magneto-dielectric couplings along with short range ferromagnetic order in ceramic Cobalt Tellurate (Co{sub 3}TeO{sub 6}, CTO) using magnetic, structural, dielectric, pyroelectric, and polarization studies. DC magnetization along with dielectric constant measurements indicate a coupling between magnetic order and electrical polarization. A strong anomaly in the dielectric constant at ∼17.4 K in zero magnetic field indicates spontaneous electric polarization, consistent with a recent neutron diffraction study. Observation of weak short range ferromagnetic order at lower temperatures is attributed to the Griffiths-like ferromagnetism. Furthermore, magnetic field dependence of the ferroelectric transition follows earlier theoretical predictions, applicable tomore » single crystal CTO. Finally, combined dielectric, pyroelectric, and polarization measurements suggest that the ground state of CTO may possess spontaneous symmetry breaking in the absence of magnetic field.« less
Local Chemical Ordering and Negative Thermal Expansion in PtNi Alloy Nanoparticles.
Li, Qiang; Zhu, He; Zheng, Lirong; Fan, Longlong; Wang, Na; Rong, Yangchun; Ren, Yang; Chen, Jun; Deng, Jinxia; Xing, Xianran
2017-12-13
An atomic insight into the local chemical ordering and lattice strain is particular interesting to recent emerging bimetallic nanocatalysts such as PtNi alloys. Here, we reported the atomic distribution, chemical environment, and lattice thermal evolution in full-scale structural description of PtNi alloy nanoparticles (NPs). The different segregation of elements in the well-faceted PtNi nanoparticles is convinced by extended X-ray absorption fine structure (EXAFS). Atomic pair distribution function (PDF) study evidences the coexistence of the face-centered cubic and tetragonal ordering parts in the local environment of PtNi nanoparticles. Further reverse Monte Carlo (RMC) simulation with PDF data obviously exposed the segregation as Ni and Pt in the centers of {111} and {001} facets, respectively. Layer-by-layer statistical analysis up to 6 nm for the local atomic pairs revealed the distribution of local tetragonal ordering on the surface. This local coordination environment facilitates the distribution of heteroatomic Pt-Ni pairs, which plays an important role in the negative thermal expansion of Pt 41 Ni 59 NPs. The present study on PtNi alloy NPs from local short-range coordination to long-range average lattice provides a new perspective on tailoring physical properties in nanomaterials.
Short-range photoassociation of LiRb
NASA Astrophysics Data System (ADS)
Blasing, David; Stevenson, Ian; Pérez-Ríos, Jesús; Elliott, Daniel; Chen, Yong
2017-04-01
We have observed short-range photoassociation of 7Li85Rb to the two lowest vibrational states of the d3 Π potential. We have also observed several a3Σ+ vibrational levels with generation rates between 102 and 103 molecules per second, resulting from the spontaneous decay of these d3 Π molecules. This is the first observation of many of these a3Σ+ levels. We observe an alternation of the peak heights in the rotational photoassociation spectrum that depends on the parity of the excited molecular state. Franck-Condon overlap calculations predict that photoassociation to higher vibrational levels of the d3 Π , in particular the sixth vibrational level, should populate the lowest vibrational level of the a3Σ+ state with a rate as high as 104 molecules per second. This work also motivates an experimental search for short-range photoassociation to other bound molecules, such as the c3Σ+ or b3 Π , as prospects for preparing ground-state molecules. The experimental work was funded by the Purdue Office of the Vice President for Research AMO Incentive Grant 206732 and J.P.-R. acknowledges support from NSF Grant No. PHY-130690.
Test of Newtonian gravity at short range using pico-precision displacement sensor
NASA Astrophysics Data System (ADS)
Akiyama, Takashi; Hata, Maki; Ninomiya, Kazufumi; Nishio, Hironori; Ogawa, Naruya; Sekiguchi, Yuta; Watanabe, Kentaro; Murata, Jiro
2009-10-01
Recent theoretical models of physics beyond the standard model, including attempts to resolve the hierarchy problem, predict deviations from the Newtonian gravity at short distances below millimeters. Present NEWTON project aims an experimental test of the inverse-square law at the millimeter scale, using a torsion pendulum with a pico-precision displacement sensor, which was originally developed for the micron precision optical alignment system (OASys) for the PHENIX muon tracking chambers at RHIC, using digital image analysis technique. In order to examine the gravitational force at short range scale around micrometers, we have developed a new apparatus NEWTON-III, which can determine the local gravitational acceleration by measuring the motion of the torsion pendulum. In this presentation, the development status and the results of the NEWTON-experiment will be reported.
Cooling rate dependence of structural order in Al{sub 90}Sm{sub 10} metallic glass
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sun, Yang; Ames Laboratory, US Department of Energy, Ames, Iowa 50011; Zhang, Yue
2016-07-07
The atomic structure of Al{sub 90}Sm{sub 10} metallic glass is studied using molecular dynamics simulations. By performing a long sub-T{sub g} annealing, we developed a glass model closer to the experiments than the models prepared by continuous cooling. Using the cluster alignment method, we found that “3661” cluster is the dominating short-range order in the glass samples. The connection and arrangement of “3661” clusters, which define the medium-range order in the system, are enhanced significantly in the sub-T{sub g} annealed sample as compared with the fast cooled glass samples. Unlike some strong binary glass formers such as Cu{sub 64.5}Zr{sub 35.5},more » the clusters representing the short-range order do not form an interconnected interpenetrating network in Al{sub 90}Sm{sub 10,} which has only marginal glass formability.« less
Short-range order clustering in BCC Fe-Mn alloys induced by severe plastic deformation
NASA Astrophysics Data System (ADS)
Shabashov, V. A.; Kozlov, K. A.; Sagaradze, V. V.; Nikolaev, A. L.; Lyashkov, K. A.; Semyonkin, V. A.; Voronin, V. I.
2018-03-01
The effect of severe plastic deformation, namely, high-pressure torsion (HPT) at different temperatures and ball milling (BM) at different time intervals, has been investigated by means of Mössbauer spectroscopy in Fe100-xMnx (x = 4.1, 6.8, 9) alloys. Deformation affects the short-range clustering (SRC) in BCC lattice. Two processes occur: destruction of SRC by moving dislocations and enhancement of the SRC by migration of non-equilibrium defects. Destruction of SRC prevails during HPT at 80-293 K; whereas enhancement of SRC dominates at 473-573 K. BM starts enhancing the SRC formation at as low as 293 K due to local heating at impacts. The efficiency of HPT in terms of enhancing SRC increases with increasing temperature. The authors suppose that at low temperatures, a significant fraction of vacancies are excluded from enhancing SRC because of formation of mobile bi- and tri-vacancies having low efficiency of enhancing SRC as compared to that of mono vacancies. Milling of BCC Fe100-xMnx alloys stabilises the BCC phase with respect to α → γ transition at subsequent isothermal annealing because of a high degree of work hardening and formation of composition inhomogeneity.
NASA Astrophysics Data System (ADS)
Mazet, T.; Ihou-Mouko, H.; Marêché, J.-F.; Malaman, B.
2010-04-01
We have studied pseudo-layered ZrMn6Sn6-xGax intermetallics (0.55 ≤ x ≤ 0.81) using magnetic, magnetoresistivity and powder neutron diffraction measurements. All the alloys studied have magnetic ordering temperatures in the 450-490 K temperature range. They present complex temperature-dependent partially disordered magnetic structures whose ferromagnetic component develops upon increasing the Ga content. ZrMn6Sn6-xGax alloys with x ≤ 0.69 are essentially collinear antiferromagnets at high-temperature and adopt antifan-like arrangements at low temperature. For x ≥ 0.75, the alloys order ferromagnetically and evolve to a fan-like structure upon cooling. The intermediate compositions (x = 0.71 and 0.73) present a canted fan-like order at high temperature and another kind of antifan-like arrangement at low temperature. The degree of short-range order tends to increase upon approaching the intermediate compositions. The (x, T) phase diagram contains two triple points (x ~ 0.70; T ~ 460 K and x ~ 0.74; T ~ 455 K), where the paramagnetic, an incommensurate and a commensurate phases meet, which possess some of the features of Lifshitz point. Irreversibilities manifest in the low-temperature magnetization curves at the antifan-fan or fan-ferromagnetic boundaries as well as inside the fan region. Giant magnetoresistance is observed, even above room temperature.
Ebbinghaus, Simon; Meister, Konrad; Prigozhin, Maxim B; Devries, Arthur L; Havenith, Martina; Dzubiella, Joachim; Gruebele, Martin
2012-07-18
Short-range ice binding and long-range solvent perturbation both have been implicated in the activity of antifreeze proteins and antifreeze glycoproteins. We study these two mechanisms for activity of winter flounder antifreeze peptide. Four mutants are characterized by freezing point hysteresis (activity), circular dichroism (secondary structure), Förster resonance energy transfer (end-to-end rigidity), molecular dynamics simulation (structure), and terahertz spectroscopy (long-range solvent perturbation). Our results show that the short-range model is sufficient to explain the activity of our mutants, but the long-range model provides a necessary condition for activity: the most active peptides in our data set all have an extended dynamical hydration shell. It appears that antifreeze proteins and antifreeze glycoproteins have reached different evolutionary solutions to the antifreeze problem, utilizing either a few precisely positioned OH groups or a large quantity of OH groups for ice binding, assisted by long-range solvent perturbation. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.
Hong, Ie-Hong; Liao, Yung-Cheng; Tsai, Yung-Feng
2013-11-05
The perfectly ordered parallel arrays of periodic Ce silicide nanowires can self-organize with atomic precision on single-domain Si(110)-16 × 2 surfaces. The growth evolution of self-ordered parallel Ce silicide nanowire arrays is investigated over a broad range of Ce coverages on single-domain Si(110)-16 × 2 surfaces by scanning tunneling microscopy (STM). Three different types of well-ordered parallel arrays, consisting of uniformly spaced and atomically identical Ce silicide nanowires, are self-organized through the heteroepitaxial growth of Ce silicides on a long-range grating-like 16 × 2 reconstruction at the deposition of various Ce coverages. Each atomically precise Ce silicide nanowire consists of a bundle of chains and rows with different atomic structures. The atomic-resolution dual-polarity STM images reveal that the interchain coupling leads to the formation of the registry-aligned chain bundles within individual Ce silicide nanowire. The nanowire width and the interchain coupling can be adjusted systematically by varying the Ce coverage on a Si(110) surface. This natural template-directed self-organization of perfectly regular parallel nanowire arrays allows for the precise control of the feature size and positions within ±0.2 nm over a large area. Thus, it is a promising route to produce parallel nanowire arrays in a straightforward, low-cost, high-throughput process.
2013-01-01
The perfectly ordered parallel arrays of periodic Ce silicide nanowires can self-organize with atomic precision on single-domain Si(110)-16 × 2 surfaces. The growth evolution of self-ordered parallel Ce silicide nanowire arrays is investigated over a broad range of Ce coverages on single-domain Si(110)-16 × 2 surfaces by scanning tunneling microscopy (STM). Three different types of well-ordered parallel arrays, consisting of uniformly spaced and atomically identical Ce silicide nanowires, are self-organized through the heteroepitaxial growth of Ce silicides on a long-range grating-like 16 × 2 reconstruction at the deposition of various Ce coverages. Each atomically precise Ce silicide nanowire consists of a bundle of chains and rows with different atomic structures. The atomic-resolution dual-polarity STM images reveal that the interchain coupling leads to the formation of the registry-aligned chain bundles within individual Ce silicide nanowire. The nanowire width and the interchain coupling can be adjusted systematically by varying the Ce coverage on a Si(110) surface. This natural template-directed self-organization of perfectly regular parallel nanowire arrays allows for the precise control of the feature size and positions within ±0.2 nm over a large area. Thus, it is a promising route to produce parallel nanowire arrays in a straightforward, low-cost, high-throughput process. PMID:24188092
Correlations between dynamics and atomic structures in Cu64.5Zr35.5 metallic glass
NASA Astrophysics Data System (ADS)
Wang, C. Z.; Zhang, Y.; Zhang, F.; Mendelev, M. I.; Kramer, M. J.; Ho, K. M.
2015-03-01
The atomic structure of Cu-Zr metallic glasses (MGs) has been widely accepted to be heterogeneous and dominated by icosahedral short range order (ISRO). However, the correlations between dynamics and atomic structures in Cu-Zr MGs remain an enigma. Using molecular dynamics (MD) simulations, we investigated the correlations between dynamics and atomic structures in Cu64.5Zr35.5 MG. The atomic structures are characterized using ISRO and the Bergman-type medium range order (BMRO). The simulation and analysis results show that the majority of the mobile atoms are not involved in ISRO or BMRO, indicating that the dynamical heterogeneity has a strong correlation to structural heterogeneity. Moreover, we found that the localized soft vibration modes below 1.0 THz are mostly concentrated on the mobile atoms. The diffusion was studied using the atomic trajectory collected in an extended time interval of 1.2 μs at 700 K in MD simulations. It was found that the long range diffusion in MGs is highly heterogeneous, which is confined to the liquid-like regions and strongly avoids the ISRO and the Bergman-type MRO. All These results clearly demonstrate strong correlations between dynamics (in terms of dynamical heterogeneity and diffusion) and atomic structures in Cu64.5Zr35.5 MGs. This work was supported by the U.S. Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering under the Contract No. DE-AC02-07CH11358.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Aquino, Fredy W.; Govind, Niranjan; Autschbach, Jochen
2011-10-01
Density functional theory (DFT) calculations of NMR chemical shifts and molecular g-tensors with Gaussian-type orbitals are implemented via second-order energy derivatives within the scalar relativistic zeroth order regular approximation (ZORA) framework. Nonhybrid functionals, standard (global) hybrids, and range-separated (Coulomb-attenuated, long-range corrected) hybrid functionals are tested. Origin invariance of the results is ensured by use of gauge-including atomic orbital (GIAO) basis functions. The new implementation in the NWChem quantum chemistry package is verified by calculations of nuclear shielding constants for the heavy atoms in HX (X=F, Cl, Br, I, At) and H2X (X = O, S, Se, Te, Po), and Temore » chemical shifts in a number of tellurium compounds. The basis set and functional dependence of g-shifts is investigated for 14 radicals with light and heavy atoms. The problem of accurately predicting F NMR shielding in UF6-nCln, n = 1 to 6, is revisited. The results are sensitive to approximations in the density functionals, indicating a delicate balance of DFT self-interaction vs. correlation. For the uranium halides, the results with the range-separated functionals are mixed.« less
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.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pardo, Luis Carlos; Tamarit, Josep Lluis; Veglio, Nestor
2007-10-01
The short-range order (SRO) correlations in liquid- and rotator-phase states of carbon tetrachloride are revisited here. The correlation of some angular magnitudes is used to evaluate the positional and orientational correlations in the liquid as well as in the rotator phase. The results show significant similitudes in the relative position of the molecules surrounding a central one but striking differences in their relative orientations, which could explain the changes in SRO between the two phases and the puzzling behavior of the local density in the liquid and rotator phases.
NASA Astrophysics Data System (ADS)
Matthews, N. F.; Robson, D.; Grant, M. A.
1990-12-01
An explicit formula is derived for the transition probability between two different states of the atom-dimer collisional system governed by second-order long-range interaction potential terms varying as R-8 and R-10.
Short-range, overpressure-driven methane migration in coarse-grained gas hydrate reservoirs
Nole, Michael; Daigle, Hugh; Cook, Ann E.; ...
2016-08-31
Two methane migration mechanisms have been proposed for coarse-grained gas hydrate reservoirs: short-range diffusive gas migration and long-range advective fluid transport from depth. Herein we demonstrate that short-range fluid flow due to overpressure in marine sediments is a significant additional methane transport mechanism that allows hydrate to precipitate in large quantities in thick, coarse-grained hydrate reservoirs. Two-dimensional simulations demonstrate that this migration mechanism, short-range advective transport, can supply significant amounts of dissolved gas and is unencumbered by limitations of the other two end-member mechanisms. Here, short-range advective migration can increase the amount of methane delivered to sands as compared tomore » the slow process of diffusion, yet it is not necessarily limited by effective porosity reduction as is typical of updip advection from a deep source.« less
Short-range, overpressure-driven methane migration in coarse-grained gas hydrate reservoirs
DOE Office of Scientific and Technical Information (OSTI.GOV)
Nole, Michael; Daigle, Hugh; Cook, Ann E.
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
X-ray Diffraction Study of Order-Disorder Phase Transition in CuMPt6 (M=3d Elements) Alloys
NASA Astrophysics Data System (ADS)
Ahmed, Ejaz; Takahashi, Miwako; Iwasaki, Hiroshi; Ohshima, Ken-ichi
2009-01-01
We investigated the ordering behavior of ternary CuMPt6 alloys with M=Ti, V, Cr, Mn, Fe, Co, and Ni by high-temperature polycrystalline X-ray diffraction. The alloys undergo a phase transition from the fcc disordered state to the Cu3Au-type ordered state, except for the alloy with M=Ni, in which only short-range order forms. The transition temperature Tc is highest (1593 K) for M=Ti and decreases almost monotonically with increasing atomic number to 1153 K for M=Co. The observed dependence of ordering tendency on the atomic number of M is discussed in the light of the theory of ordering in transition-metal alloys and its significance for the study of ordering in ternary alloys.
Role of the Short Distance Order in Glass Reactivity
2018-01-01
In 2005, our group described for the first time the structural characterization at the atomic scale of bioactive glasses and the influence of the glasses’ nanostructure in their reactivity in simulated body fluids. In that study, two bioactive sol-gel glasses with composition 80%SiO2–20%CaO and 80%SiO2–17%CaO–3%P2O5 (in mol-%) were characterized by High-Resolution Transmission Electron Microscopy (HRTEM). Such characterization revealed unknown features of the glasses’ structure at the local scale that allowed the understanding of their different in vitro behaviors as a consequence of the presence or absence of P2O5. Since then, the nanostructure of numerous bioactive glasses, including melt-prepared, sol-gel derived, and mesoporous glasses, was investigated by HRTEM, Nuclear Magnetic Resonance (NMR) spectroscopy, Molecular Dynamics (MD) simulations, and other experimental techniques. These studies have shown that although glasses are amorphous solids, a certain type of short distance order, which greatly influences the in vitro and in vivo reactivity, is always present. This paper reviews the most significant advances in the understanding of bioactive glasses that took place in the last years as a result of the growing knowledge of the glasses’ nanostructure. PMID:29534481
Huang, Yuxiang; Huang, Li; Wang, C. Z.; ...
2016-02-01
Comparative analysis between Zr-rich Zr 50Cu 45Al 5 and Cu-rich Cu 50Zr 45Al 5 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 Zr 50Cu 45Al 5 and Cu 50Zr 45Al 5 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
Long-range interactions of hydrogen atoms in excited states. III. n S -1 S interactions for n ≥3
NASA Astrophysics Data System (ADS)
Adhikari, C. M.; Debierre, V.; Jentschura, U. D.
2017-09-01
The long-range interaction of excited neutral atoms has a number of interesting and surprising properties such as the prevalence of long-range oscillatory tails and the emergence of numerically large van der Waals C6 coefficients. Furthermore, the energetically quasidegenerate n P states require special attention and lead to mathematical subtleties. Here we analyze the interaction of excited hydrogen atoms in n S states (3 ≤n ≤12 ) with ground-state hydrogen atoms and find that the C6 coefficients roughly grow with the fourth power of the principal quantum number and can reach values in excess of 240 000 (in atomic units) for states with n =12 . The nonretarded van der Waals result is relevant to the distance range R ≪a0/α , where a0 is the Bohr radius and α is the fine-structure constant. The Casimir-Polder range encompasses the interatomic distance range a0/α ≪R ≪ℏ c /L , where L is the Lamb shift energy. In this range, the contribution of quasidegenerate excited n P states remains nonretarded and competes with the 1 /R2 and 1 /R4 tails of the pole terms, which are generated by lower-lying m P states with 2 ≤m ≤n -1 , due to virtual resonant emission. The dominant pole terms are also analyzed in the Lamb shift range R ≫ℏ c /L . The familiar 1 /R7 asymptotics from the usual Casimir-Polder theory is found to be completely irrelevant for the analysis of excited-state interactions. The calculations are carried out to high precision using computer algebra in order to handle a large number of terms in intermediate steps of the calculation for highly excited states.
Impact of medium-range order on the glass transition in liquid Ni-Si alloys
NASA Astrophysics Data System (ADS)
Lü, Y. J.; Entel, P.
2011-09-01
We study the thermophysical properties and structure of liquid Ni-Si alloys using molecular dynamics simulations. The liquid Ni-5% and 10%Si alloys crystallize to form the face-centered cubic (Ni) at 900 and 850 K, respectively, and the glass transitions take place in Ni-20% and 25%Si alloys at about 700 K. The temperature-dependent self-diffusion coefficients and viscosities exhibit more pronounced non-Arrhenius behavior with the increase of Si content before phase transitions, indicating the enhanced glass-forming ability. These appearances of thermodynamic properties and phase transitions are found to closely relate to the medium-range order clusters with the defective face-centered cubic structure characterized by both local translational and orientational order. This locally ordered structure tends to be destroyed by the addition of more Si atoms, resulting in a delay of nucleation and even glass transition instead.
A general range-separated double-hybrid density-functional theory
NASA Astrophysics Data System (ADS)
Kalai, Cairedine; Toulouse, Julien
2018-04-01
A range-separated double-hybrid (RSDH) scheme which generalizes the usual range-separated hybrids and double hybrids is developed. This scheme consistently uses a two-parameter Coulomb-attenuating-method (CAM)-like decomposition of the electron-electron interaction for both exchange and correlation in order to combine Hartree-Fock exchange and second-order Møller-Plesset (MP2) correlation with a density functional. The RSDH scheme relies on an exact theory which is presented in some detail. Several semi-local approximations are developed for the short-range exchange-correlation density functional involved in this scheme. After finding optimal values for the two parameters of the CAM-like decomposition, the RSDH scheme is shown to have a relatively small basis dependence and to provide atomization energies, reaction barrier heights, and weak intermolecular interactions globally more accurate or comparable to range-separated MP2 or standard MP2. The RSDH scheme represents a new family of double hybrids with minimal empiricism which could be useful for general chemical applications.
Guo, Wenbin; Liu, Feng; Chen, Jindong; Wu, Renrong; Li, Lehua; Zhang, Zhikun; Chen, Huafu; Zhao, Jingping
2017-06-30
Abnormal short-range and long-range functional connectivities (FCs) have been implicated in the neurophysiology of schizophrenia. This study was conducted to examine the potential of short-range and long-range FCs for differentiating the patients from the controls with a family-based case-control design. Twenty-eight first-episode, drug-naive patients with schizophrenia, 28 unaffected siblings of the patients (family-based controls, FBCs), and 40 healthy controls (HCs) underwent resting-state functional magnetic resonance imaging (fMRI) scans. The data were analyzed by short-range and long-range FC analyses, receiver operating characteristic curve (ROC) and support vector machine (SVM). Compared with the FBCs/HCs, the patients exhibit increased short-range positive FC strength (spFCS) and/or long-range positive FC strength (lpFCS) in the default-mode network (DMN) and decreased spFCS and lpFCS in the sensorimotor circuits. Furthermore, a combination of the spFCS values in the right superior parietal lobule and the lpFCS values in the left fusiform gyrus/cerebellum VI can differentiate the patients from the FBCs with high sensitivity and specificity. The findings highlight the importance of the DMN and sensorimotor circuits in the pathogenesis of schizophrenia. Combining with family-based case-control design may be a viable option to limit the confounding effects of environmental risk factors in neuroimaging studies of schizophrenia. Copyright © 2017 Elsevier Ireland Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Hollett, Joshua W.; Pegoretti, Nicholas
2018-04-01
Separate, one-parameter, on-top density functionals are derived for the short-range dynamic correlation between opposite and parallel-spin electrons, in which the electron-electron cusp is represented by an exponential function. The combination of both functionals is referred to as the Opposite-spin exponential-cusp and Fermi-hole correction (OF) functional. The two parameters of the OF functional are set by fitting the ionization energies and electron affinities, of the atoms He to Ar, predicted by ROHF in combination with the OF functional to the experimental values. For ionization energies, the overall performance of ROHF-OF is better than completely renormalized coupled-cluster [CR-CC(2,3)] and better than, or as good as, conventional density functional methods. For electron affinities, the overall performance of ROHF-OF is less impressive. However, for both ionization energies and electron affinities of third row atoms, the mean absolute error of ROHF-OF is only 3 kJ mol-1.
The effect of short-range spatial variability on soil sampling uncertainty.
Van der Perk, Marcel; de Zorzi, Paolo; Barbizzi, Sabrina; Belli, Maria; Fajgelj, Ales; Sansone, Umberto; Jeran, Zvonka; Jaćimović, Radojko
2008-11-01
This paper aims to quantify the soil sampling uncertainty arising from the short-range spatial variability of elemental concentrations in the topsoils of agricultural, semi-natural, and contaminated environments. For the agricultural site, the relative standard sampling uncertainty ranges between 1% and 5.5%. For the semi-natural area, the sampling uncertainties are 2-4 times larger than in the agricultural area. The contaminated site exhibited significant short-range spatial variability in elemental composition, which resulted in sampling uncertainties of 20-30%.
Atomic-scale visualization of surface-assisted orbital order
Kim, Howon; Yoshida, Yasuo; Lee, Chi-Cheng; Chang, Tay-Rong; Jeng, Horng-Tay; Lin, Hsin; Haga, Yoshinori; Fisk, Zachary; Hasegawa, Yukio
2017-01-01
Orbital-related physics attracts growing interest in condensed matter research, but direct real-space access of the orbital degree of freedom is challenging. We report a first, real-space, imaging of a surface-assisted orbital ordered structure on a cobalt-terminated surface of the well-studied heavy fermion compound CeCoIn5. Within small tip-sample distances, the cobalt atoms on a cleaved (001) surface take on dumbbell shapes alternatingly aligned in the [100] and [010] directions in scanning tunneling microscopy topographies. First-principles calculations reveal that this structure is a consequence of the staggered dxz-dyz orbital order triggered by enhanced on-site Coulomb interaction at the surface. This so far overlooked surface-assisted orbital ordering may prevail in transition metal oxides, heavy fermion superconductors, and other materials. PMID:28948229
NASA Astrophysics Data System (ADS)
Zhang, Y.; Mendelev, M. I.; Wang, C. Z.; Ott, R.; Zhang, F.; Besser, M. F.; Ho, K. M.; Kramer, M. J.
2014-11-01
Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium-range order (MRO), remains difficult to describe. Specifically lacking is an understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this paper, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed C u64.5Z r35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. The cluster alignment method was employed to characterize the icosahedral short-range order (ISRO) and Bergman-type medium-range order (BMRO) in the models upon loading and unloading. From this analysis, we find the disruption of both ISRO and BMRO occurs as the strain reaches about 0.02, well below the elastic limit. Within the elastic limit, the total fractions of ISRO or BMRO can be fully recovered upon unloading. The diffusivity increases six to eight times in regions undergoing plastic deformation, which is due to the dramatic disruption of the ISRO and BMRO. By mapping the spatial distributions of the mobile atoms, we demonstrate the increase in atomic mobility is due to the extended regions of disrupted ISRO and more importantly BMRO.
NASA Astrophysics Data System (ADS)
Levashov, Valentin A.; Egami, Takeshi; Morris, James R.
2009-03-01
We present a new approach to the issue of correlation range in supercooled liquids based on Green-Kubo expression for viscosity. The integrand of this expression is the average stress-stress autocorrelation function. This correlation function could be rewritten in terms of correlations among local atomic stresses at different times and distances. The features of the autocorrelation function decay with time depend on temperature and correlation range. Through this approach we can study the development of spatial correlation with time, thus directly addressing the question of dynamic heterogeneity. We performed MD simulations on a single component system of particles interacting through short range pair potential. Our results indicate that even above the crossover temperature correlations extend well beyond the nearest neighbors. Surprisingly we found that the system size effects exist even on relatively large systems. We also address the role of diffusion in decay of stress-stress correlation function.
Federal Register 2010, 2011, 2012, 2013, 2014
2012-06-18
... the Matter of Connecticut Yankee Atomic Power Company; Haddam Neck Plant; Confirmatory Order Modifying... Commission (NRC or the Commission) issued a Confirmatory Order to Connecticut Yankee Atomic Power Company...: (301) 492-3342; Email: [email protected] . I Connecticut Yankee Atomic Power Company (Connecticut...
Higher-order spin-noise spectroscopy of atomic spins in fluctuating external fields
Li, Fuxiang; Crooker, S. A.; Sinitsyn, N. A.
2016-03-09
Here, we discuss the effect of external noisy magnetic fields on mesoscopic spin fluctuations that can be probed in semiconductors and atomic vapors by means of optical spin-noise spectroscopy. We also show that conventional arguments of the law of large numbers do not apply to spin correlations induced by external fields, namely, the magnitude of the 4th-order spin cumulant grows as ~N 2 with the number N of observed spins, i.e., it is not suppressed in comparison to the 2nd-order cumulant. Moreover, this allows us to design a simple experiment to measure the 4th-order cumulant of spin fluctuations in anmore » atomic system near thermodynamic equilibrium and develop a quantitative theory that explains all observations.« less
Unique atom hyper-kagome order in Na4Ir3O8 and in low-symmetry spinel modifications.
Talanov, V M; Shirokov, V B; Talanov, M V
2015-05-01
Group-theoretical and thermodynamic methods of the Landau theory of phase transitions are used to investigate the hyper-kagome atomic order in structures of ordered spinels and a spinel-like Na4Ir3O8 crystal. The formation of an atom hyper-kagome sublattice in Na4Ir3O8 is described theoretically on the basis of the archetype (hypothetical parent structure/phase) concept. The archetype structure of Na4Ir3O8 has a spinel-like structure (space group Fd\\bar 3m) and composition [Na1/2Ir3/2](16d)[Na3/2](16c)O(32e)4. The critical order parameter which induces hypothetical phase transition has been stated. It is shown that the derived structure of Na4Ir3O8 is formed as a result of the displacements of Na, Ir and O atoms, and ordering of Na, Ir and O atoms, ordering dxy, dxz, dyz orbitals as well. Ordering of all atoms takes place according to the type 1:3. Ir and Na atoms form an intriguing atom order: a network of corner-shared Ir triangles called a hyper-kagome lattice. The Ir atoms form nanoclusters which are named decagons. The existence of hyper-kagome lattices in six types of ordered spinel structures is predicted theoretically. The structure mechanisms of the formation of the predicted hyper-kagome atom order in some ordered spinel phases are established. For a number of cases typical diagrams of possible crystal phase states are built in the framework of the Landau theory of phase transitions. Thermodynamical conditions of hyper-kagome order formation are discussed by means of these diagrams. The proposed theory is in accordance with experimental data.
Al-centered icosahedral ordering in Cu46Zr46Al8 bulk metallic glass
NASA Astrophysics Data System (ADS)
Fang, H. Z.; Hui, X.; Chen, G. L.; Liu, Z. K.
2009-03-01
Icosahedral short-range order, of which Al atoms are caged in the center of icosahedra with Cu and Zr atoms being the vertices, has been evidenced in the Cu46Zr46Al8 glassy structure by ab initio molecular dynamics simulation. These Al-centered clusters distribute irregularly in the three-dimensional space and form a "backbone" structure of the Cu46Zr46Al8 glass alloy. It is suggested that this kind of local structural feature is attributed to the requirement of efficient dense packing and the chemical affinity between Zr-Zr, Zr-Al, and Cu-Zr atoms. Our calculated results are found to be in good agreement with the experimental data.
Intentionally Short-Range Communications (ISRC) exploratory development plan
NASA Astrophysics Data System (ADS)
Yen, J.
1992-06-01
This document is an exploratory development plan for the Intentionally Short-Range Communications (ISRC) project. The USMC requirements and project objectives are quantified, then possible solutions identified and developed. Some of these ideas will be attempted to determine the best option(s) satisfying the USMC requirements.
Intertwined and vestigial order with ultracold atoms in multiple cavity modes
NASA Astrophysics Data System (ADS)
Gopalakrishnan, Sarang; Shchadilova, Yulia E.; Demler, Eugene
2017-12-01
Atoms in transversely pumped optical cavities "self-organize" by forming a density wave and emitting superradiantly into the cavity mode(s). For a single-mode cavity, the properties of this self-organization transition are well characterized both theoretically and experimentally. Here, we explore the self-organization of a Bose-Einstein condensate in the presence of two cavity modes—a system that recently was realized experimentally [Léonard et al., Nature (London) 543, 87 (2017), 10.1038/nature21067]. We argue that this system can exhibit a "vestigially ordered" phase in which neither cavity mode exhibits superradiance but the cavity modes are mutually phase locked by the atoms. We argue that this vestigially ordered phase should generically be present in multimode cavity geometries.
Experimental investigation of the ordering pathway in a Ni-33 at.%Cr alloy
Gwalani, B.; Alam, T.; Miller, C.; ...
2016-06-17
The present study involves a detailed experimental investigation of the concurrent compositional clustering and long-range ordering tendencies in a Ni-33 at.%Cr alloy, carried out by coupling synchrotron-based X-ray diffraction (XRD), transmission electron microscopy (TEM), and atom probe tomography (APT). Synchrotron-based XRD results clearly exhibited progressively increasing lattice contraction in the matrix with increasing isothermal aging time, at 475 degrees C, eventually leading to the development of long-range ordering (LRO) of the Pt2Mo-type. Detailed TEM and APT investigations revealed that this LRO in the matrix is manifested in the form of nanometer-scale ordered domains, and the spatial distribution, size, morphology andmore » compositional evolution of these domains have been carefully investigated. Here, the APT results also revealed the early stages of compositional clustering prior to the onset of long-range ordering in this alloy and such compositional clustering can potentially be correlated to the lattice contraction and previously proposed short-range ordering tendencies.« less
Understanding the detection of carbon in austenitic high-Mn steel using atom probe tomography.
Marceau, R K W; Choi, P; Raabe, D
2013-09-01
A high-Mn TWIP steel having composition Fe-22Mn-0.6C (wt%) is considered in this study, where the need for accurate and quantitative analysis of clustering and short-range ordering by atom probe analysis requires a better understanding of the detection of carbon in this system. Experimental measurements reveal that a high percentage of carbon atoms are detected as molecular ion species and on multiple hit events, which is discussed with respect to issues such as optimal experimental parameters, correlated field evaporation and directional walk/migration of carbon atoms at the surface of the specimen tip during analysis. These phenomena impact the compositional and spatial accuracy of the atom probe measurement and thus require careful consideration for further cluster-finding analysis. Copyright © 2013 Elsevier B.V. All rights reserved.
Marques, J M C; Pais, A A C C; Abreu, P E
2012-02-05
The efficiency of the so-called big-bang method for the optimization of atomic clusters is analysed in detail for Morse pair potentials with different ranges; here, we have used Morse potentials with four different ranges, from long- ρ = 3) to short-ranged ρ = 14) interactions. Specifically, we study the efficacy of the method in discovering low-energy structures, including the putative global minimum, as a function of the potential range and the cluster size. A new global minimum structure for long-ranged ρ = 3) Morse potential at the cluster size of n= 240 is reported. The present results are useful to assess the maximum cluster size for each type of interaction where the global minimum can be discovered with a limited number of big-bang trials. Copyright © 2011 Wiley Periodicals, Inc.
Tsatrafyllis, N; Kominis, I K; Gonoskov, I A; Tzallas, P
2017-04-27
High-order harmonics in the extreme-ultraviolet spectral range, resulting from the strong-field laser-atom interaction, have been used in a broad range of fascinating applications in all states of matter. In the majority of these studies the harmonic generation process is described using semi-classical theories which treat the electromagnetic field of the driving laser pulse classically without taking into account its quantum nature. In addition, for the measurement of the generated harmonics, all the experiments require diagnostics in the extreme-ultraviolet spectral region. Here by treating the driving laser field quantum mechanically we reveal the quantum-optical nature of the high-order harmonic generation process by measuring the photon number distribution of the infrared light exiting the harmonic generation medium. It is found that the high-order harmonics are imprinted in the photon number distribution of the infrared light and can be recorded without the need of a spectrometer in the extreme-ultraviolet.
Tsatrafyllis, N.; Kominis, I. K.; Gonoskov, I. A.; Tzallas, P.
2017-01-01
High-order harmonics in the extreme-ultraviolet spectral range, resulting from the strong-field laser-atom interaction, have been used in a broad range of fascinating applications in all states of matter. In the majority of these studies the harmonic generation process is described using semi-classical theories which treat the electromagnetic field of the driving laser pulse classically without taking into account its quantum nature. In addition, for the measurement of the generated harmonics, all the experiments require diagnostics in the extreme-ultraviolet spectral region. Here by treating the driving laser field quantum mechanically we reveal the quantum-optical nature of the high-order harmonic generation process by measuring the photon number distribution of the infrared light exiting the harmonic generation medium. It is found that the high-order harmonics are imprinted in the photon number distribution of the infrared light and can be recorded without the need of a spectrometer in the extreme-ultraviolet. PMID:28447616
Bera, Mrinal K.; Qiao, Baofu; Seifert, Soenke; ...
2015-12-15
Charged colloids and proteins in aqueous solutions interact via short-range attractions and long-range repulsions (SALR) and exhibit complex structural phases. These include homogeneously dispersed monomers, percolated monomers, clusters, and percolated clusters. We report the structural architectures of simple charged systems in the form of spherical, Keggin-type heteropolyanions (HPAs) by small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations. Structure factors obtained from the SAXS measurements show that the HPAs interact via SALR. Concentration and temperature dependences of the structure factors for HPAs with –3e (e is the charge of an electron) charge are consistent with a mixture of nonassociated monomersmore » and associated randomly percolated monomers, whereas those for HPAs with –4e and –5e charges exhibit only nonassociated monomers in aqueous solutions. Our experiments show that the increase in magnitude of the charge of the HPAs increases their repulsive interactions and inhibits their aggregation in aqueous solutions. MD simulations were done to reveal the atomistic scale origins of SALR between HPAs. As a result, the short-range attractions result from water or proton-mediated hydrogen bonds between neighboring HPAs, whereas the long-range repulsions are due to the distributions of ions surrounding the HPAs.« less
Quantum Spin Dynamics with Pairwise-Tunable, Long-Range Interactions
2016-08-05
rection of the arrows. Dashed (dotted) lines mark the NNN hopping terms (coefficients ±t2). NNNN long -range hopping along curved lines are included to...Quantum spin dynamics with pairwise-tunable, long -range interactions C.-L. Hunga,b,1,2, Alejandro González-Tudelac,1,2, J. Ignacio Ciracc, and H. J...atoms) that interact by way of a variety of processes, such as atomic collisions. Such pro- cesses typically lead to short -range, nearest-neighbor
Oreopoulos, John; Yip, Christopher M.
2009-01-01
Determining the local structure, dynamics, and conformational requirements for protein-protein and protein-lipid interactions in membranes is critical to understanding biological processes ranging from signaling to the translocating and membranolytic action of antimicrobial peptides. We report here the application of a combined polarized total internal reflection fluorescence microscopy-in situ atomic force microscopy platform. This platform's ability to image membrane orientational order was demonstrated on DOPC/DSPC/cholesterol model membranes containing the fluorescent membrane probe, DiI-C20 or BODIPY-PC. Spatially resolved order parameters and fluorophore tilt angles extracted from the polarized total internal reflection fluorescence microscopy images were in good agreement with the topographical details resolved by in situ atomic force microscopy, portending use of this technique for high-resolution characterization of membrane domain structures and peptide-membrane interactions. PMID:19254557
Enhanced adaptive signal control using dedicated short-range communications.
DOT National Transportation Integrated Search
2014-05-01
Connected vehicle technology with dedicated short-range communications can provide traffic : information in a spatial domain that conventional fixed-point detectors cannot provide. However, because : of low market penetration with this new data sourc...
NASA Astrophysics Data System (ADS)
Katskov, Dmitri A.; Sadagov, Yuri M.
2011-06-01
The methodology of simultaneous multi-element electrothermal atomic absorption spectrometry (ETAAS-Electrothermal Atomic Absorption Spectrometry) stipulates rigid requirements to the design and operation of the atomizer. It must provide high degree of atomization for the group of analytes, invariant respective to the vaporization kinetics and heating ramp residence time of atoms in the absorption volume and absence of memory effects from major sample components. For the low resolution spectrometer with a continuum radiation source the reduced compared to traditional ETAAS (Electrothermal Atomic Absorption Spectrometry) sensitivity should be, at least partially, compensated by creating high density of atomic vapor in the absorption pulse. The sought-for characteristics were obtained for the 18 mm in length and 2.5 mm in internal diameter longitudinally heated graphite tube atomizer furnished with 2-4.5 mg of ring shaped carbon fiber yarn collector. The collector located next to the sampling port provides large substrate area that helps to keep the sample and its residue in the central part of the tube after drying. The collector also provides a "platform" effect that delays the vaporization and stipulates vapor release into absorption volume having already stabilized gas temperature. Due to the shape of external surface of the tube, presence of collector and rapid (about 10 °C/ms) heating, an inverse temperature distribution along the tube is attained at the beginnings of the atomization and cleaning steps. The effect is employed for cleaning of the atomizer using the set of short maximum power heating pulses. Preparation, optimal maintenance of the atomizer and its compliance to the multi-element determination requirements are evaluated and discussed. The experimental setup provides direct simultaneous determination of large group of element within 3-4 order concentration range. Limits of detection are close to those for sequential single element determination in
Short-range density functional correlation within the restricted active space CI method
NASA Astrophysics Data System (ADS)
Casanova, David
2018-03-01
In the present work, I introduce a hybrid wave function-density functional theory electronic structure method based on the range separation of the electron-electron Coulomb operator in order to recover dynamic electron correlations missed in the restricted active space configuration interaction (RASCI) methodology. The working equations and the computational algorithm for the implementation of the new approach, i.e., RAS-srDFT, are presented, and the method is tested in the calculation of excitation energies of organic molecules. The good performance of the RASCI wave function in combination with different short-range exchange-correlation functionals in the computation of relative energies represents a quantitative improvement with respect to the RASCI results and paves the path for the development of RAS-srDFT as a promising scheme in the computation of the ground and excited states where nondynamic and dynamic electron correlations are important.
Excitation of atoms and ions in plasmas by ultra-short electromagnetic pulses
NASA Astrophysics Data System (ADS)
Astapenko, V. A.; Sakhno, S. V.; Svita, S. Yu; Lisitsa, V. S.
2017-02-01
The problem of atoms and ions diagnostics in rarefied and dense plasmas by ultrashort laser pulses (USP) is under consideration. The application of USP provides: 1) excitation from ground states due to their carrier frequency high enough, 2) penetration into optically dense media due to short pulses duration. The excitation from ground atomic states increases sharply populations of excited atomic states in contrast with standard laser induced fluorescence spectroscopy based on radiative transitions between excited atomic states. New broadening parameter in radiation absorption, namely inverse pulse duration time 1/τ appears in addition to standard line-shape width in the profile G(ω). The Lyman-beta absorption spectra for USP are calculated for Holtsmark static broadening mechanism. Excitation of highly charged H-like ions in hot plasmas is described by both Gaussian shapes for Doppler broadening and pulse spectrum resulting in analytical absorption line-shape. USP penetration into optically thick media and corresponding excitation probability are calculated. It is shown a great effect of USP duration on excitation probabilities in optically thick media. The typical situations for plasma diagnostics by USP are discussed in details.
Regularization in Short-Term Memory for Serial Order
ERIC Educational Resources Information Center
Botvinick, Matthew; Bylsma, Lauren M.
2005-01-01
Previous research has shown that short-term memory for serial order can be influenced by background knowledge concerning regularities of sequential structure. Specifically, it has been shown that recall is superior for sequences that fit well with familiar sequencing constraints. The authors report a corresponding effect pertaining to serial…
Fe-based long range ordered alloys
Liu, Chain T; Inouye, Henry; Schaffhauser, Anthony C.
1980-01-01
Malleable long range ordered alloys having high critical ordering temperatures exist in the V(Co,Fe).sub.3 and V(Co,Fe,Ni).sub.3 system having the composition comprising by weight 22-23% V, 35-50% Fe, 0-22% Co and 19-40% Ni with an electron density no greater than 8.00. Excellent high temperature properties occur in alloys having compositions comprising by weight 22-23% V, 35-45% Fe, 0-10% Co, 25-35% Ni; 22-23% V, 28-33% Ni and the remainder Fe; and 22-23% V, 19-22% Ni, 19-22% Co and the remainder Fe. The alloys are fabricable by casting, deforming and annealing for sufficient time to provide ordered structure.
Search for three-nucleon short-range correlations in light nuclei
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ye, Z.; Solvignon, P.; Nguyen, D.
Here, we present new data probing short-range correlations (SRCs) in nuclei through the measurement of electron scattering off high-momentum nucleons in nuclei. The inclusive 4He/ 3He cross section ratio is observed to be both x and Q 2 independent for 1.5 < x < 2, confirming the dominance of two- nucleon (2N) short-range correlations (SRCs). For x > 2, our data do not support a previous claim of three-nucleon (3N) correlation dominance. While contributions beyond those from stationary 2N- SRCs are observed, our data show that isolating 3N-SRCs is more complicated than for 2N-SRCs.
Search for three-nucleon short-range correlations in light nuclei
Ye, Z.; Solvignon, P.; Nguyen, D.; ...
2018-06-18
Here, we present new data probing short-range correlations (SRCs) in nuclei through the measurement of electron scattering off high-momentum nucleons in nuclei. The inclusive 4He/ 3He cross section ratio is observed to be both x and Q 2 independent for 1.5 < x < 2, confirming the dominance of two- nucleon (2N) short-range correlations (SRCs). For x > 2, our data do not support a previous claim of three-nucleon (3N) correlation dominance. While contributions beyond those from stationary 2N- SRCs are observed, our data show that isolating 3N-SRCs is more complicated than for 2N-SRCs.
Syntax and serial recall: How language supports short-term memory for order.
Perham, Nick; Marsh, John E; Jones, Dylan M
2009-07-01
The extent to which familiar syntax supports short-term serial recall of visually presented six-item sequences was shown by the superior recall of lists in which item pairs appeared in the order of "adjective-noun" (items 1-2, 3-4, 5-6)--congruent with English syntax--compared to when the order of items within pairs was reversed. The findings complement other evidence suggesting that short-term memory is an assemblage of language processing and production processes more than it is a bespoke short-term memory storage system.
Long- and Short-Range Structure of Ferrimagnetic Iron-Chromium Maghemites.
García-Guaderrama, Marco; Montero-Cabrera, María E; Morán, Emilio; Alario-Franco, Miguel A; Fuentes-Cobas, Luis E; Macías-Ríos, Edgar; Esparza-Ponce, Hilda E; Fuentes-Montero, María E
2015-12-07
Maghemite-like materials containing Fe(3+) and Cr(3+) in comparable amounts have been prepared by solution-combustion synthesis. The conditions of synthesis and the magnetic properties are described. These materials are ferrimagnetic and are much more stable than pure iron maghemite since their maghemite-hematite transformation takes place at about ∼ 700 °C instead of ∼ 300 °C, as usually reported. These materials were studied by synchrotron radiation X-ray diffraction (XRD) and by X-ray absorption fine structure (XAFS) of the K-absorption edge of two elements. High-resolution XRD patterns were processed by means of the Rietveld method. Thus, maghemites were studied by XAFS in both Fe and Cr K-edges to clarify the short-range structure of the investigated systems. Pre-edge decomposition and theoretical modeling of X-ray absorption near edge structure transitions were performed. The extended X-ray absorption fine structure (EXAFS) spectra were fitted considering the facts that the central atom of Fe is able to occupy octahedral and tetrahedral sites, each with a weight adjustment, while Cr occupies only octahedral sites. Interatomic distances were determined for x = 1, by fitting simultaneously both Fe and Cr K-edges average EXAFS spectra. The results showed that the cation vacancies tend to follow a regular pattern within the structure of the iron-chromium maghemite (FeCrO3).
Fe-based long range ordered alloys
Liu, C.T.
Malleable long range ordered alloys with high critical ordering temperatures exist in the V(Co,Fe)/sub 3/ and V(Co,Fe,Ni)/sub 3/ system. The composition comprising by weight 22 to 23% V, 35 to 50% Fe, 0 to 22% Co and 19 to 40% Ni with an electron density no greater than 8.00. Excellent high temperature properties occur in alloys having compositions comprising by weight 22 to 23% V, 35 to 45% Fe, 0 to 10% Co, 25 to 35% Ni; 22 to 23% V, 28 to 33% Ni and the remainder Fe; and 22 to 23% V, 19 to 22% Co and the remainder Fe. The alloys are fabricable by casting, deforming and annealing for sufficient time to provide ordered structure.
Ferromagnetism and spin glass ordering in transition metal alloys (invited)
NASA Astrophysics Data System (ADS)
Crane, S.; Carnegie, D. W., Jr.; Claus, H.
1982-03-01
Magnetic properties of transition metal alloys near the percolation threshold are often complicated by metallurgical effects. Alloys like AuFe, VFe, CuNi, RhNi, and PdNi are in general not random solid solutions but have various degrees of atomic clustering or short-range order (SRO), depending on the heat treatment. First, it is shown how the magnetic ordering temperature of these alloys varies with the degree of clustering or SRO. Second, by systematically changing this degree of clustering or SRO, important information can be obtained about the magnetic phase diagram. In all these alloys below the percolation limit, the onset of ferromagnetic order is probably preceded by a spin glass-type ordering. However, details of the magnetic phase diagram near the critical point can be quite different alloy systems.
Long-range sound-mediated dark-soliton interactions in trapped atomic condensates
DOE Office of Scientific and Technical Information (OSTI.GOV)
Allen, A. J.; Jackson, D. P.; Barenghi, C. F.
2011-01-15
A long-range soliton interaction is discussed whereby two or more dark solitons interact in an inhomogeneous atomic condensate, modifying their respective dynamics via the exchange of sound waves without ever coming into direct contact. An idealized double-well geometry is shown to yield perfect energy transfer and complete periodic identity reversal of the two solitons. Two experimentally relevant geometries are analyzed which should enable the observation of this long-range interaction.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, H. L.; Han, Y. F., E-mail: yfhan@sjtu.edu.cn, E-mail: bdsun@sjtu.edu.cn; Zhou, W.
2015-01-26
Atomic ordering in Al melts induced by liquid/substrate interface with Ti solute was investigated by ab initio molecular dynamics simulations and in-situ synchrotron X-ray diffraction. It is predicted that deformed nanoscale ordering Al layers with a rhombohedral-centered hexagonal structure (R3{sup ¯}m space group) instead of the intrinsic fcc structure (Fm3{sup ¯}m space group) form on substrate at temperature above Al liquids. With Al atoms stacking away from the interface, the ordering structure reaches a critical thickness, which inhibits the consecutive stacking of Al atoms on substrates. The locally stacking reconstruction induced by Ti atom relieves the accumulated elastic strain energymore » in ordered Al layers, facilitating fully heterogeneous nucleation on substrate beyond the deformed ordering Al layer around the melting point. The roles of liquid/substrate interface with Ti solute in the physical behavior of heterogeneous nucleation on substrate were discussed.« less
Short-range structure of barium tellurite glasses and its correlation with stress-optic response
NASA Astrophysics Data System (ADS)
Kaur, Amarjot; Khanna, Atul; Fábián, Margit
2018-06-01
The atomic parameters of metal ion-oxygen speciation such as bond-lengths and nearest neighbor distances for Ba-O, Te-O and O-O pairs, co-ordination numbers and bond angle distributions for O-Ba-O, O-Te-O and O-O-O linkages are determined by neutron diffraction and Reverse Monte Carlo simulations on the series of xBaO-(100-x)TeO2 glasses containing 10, 15 and 20 mol% BaO. The glass network depolymerizes and the average Te-O co-ordination number decreases from 3.60 ± 0.02 to 3.48 ± 0.02 with increase in BaO concentration. Te-O bond lengths are in the range: 1.97 ± 0.01–1.92 ± 0.01 Å. Ba2+ is mostly in octahedral coordination and the Ba-O bond lengths are in the range: 2.73 ± 0.01 to 2.76 ± 0.03 Å. Te-O co-ordination number is also determined by Raman spectroscopy and it shows good agreement with the neutron data. The short-range structural properties i.e. metal ion coordination number (Nc) and bond lengths (d) were correlated with the stress-optic response. The bonding characteristic, Br values were determined from the structural data of xBaO-(100-x)TeO2 glasses and were used to predict the stress-induced birefringence properties.
Testing local Lorentz invariance with short-range gravity
Kostelecký, V. Alan; Mewes, Matthew
2017-01-10
The Newton limit of gravity is studied in the presence of Lorentz-violating gravitational operators of arbitrary mass dimension. The linearized modified Einstein equations are obtained and the perturbative solutions are constructed and characterized. We develop a formalism for data analysis in laboratory experiments testing gravity at short range and demonstrate that these tests provide unique sensitivity to deviations from local Lorentz invariance.
NASA Technical Reports Server (NTRS)
Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.
2003-01-01
Two methods of the analysis of powder diffraction patterns of diamond and SiC nanocrystals are presented: (a) examination of changes of the lattice parameters with diffraction vector Q ('apparent lattice parameter', alp) which refers to Bragg scattering, and (b), examination of changes of inter-atomic distances based on the analysis of the atomic Pair Distribution Function, PDF. Application of these methods was studied based on the theoretical diffraction patterns computed for models of nanocrystals having (i) a perfect crystal lattice, and (ii), a core-shell structure, i.e. constituting a two-phase system. The models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the shell. X-ray and neutron experimental diffraction data of nanocrystalline SiC and diamond powders of the grain diameter from 4 nm up to micrometers were used. The effects of the internal pressure and strain at the grain surface on the structure are discussed based on the experimentally determined dependence of the alp values on the Q-vector, and changes of the interatomic distances with the grain size determined experimentally by the atomic Pair Distribution Function (PDF) analysis. The experimental results lend a strong support to the concept of a two-phase, core and the surface shell structure of nanocrystalline diamond and SiC.
Keaveney, James; Hamlyn, William J; Adams, Charles S; Hughes, Ifan G
2016-09-01
We report on the development of a diode laser system - the "Faraday laser" - using an atomic Faraday filter as the frequency-selective element. In contrast to typical external-cavity diode laser systems which offer tunable output frequency but require additional control systems in order to achieve a stable output frequency, our system only lases at a single frequency, set by the peak transmission frequency of the internal atomic Faraday filter. Our system has both short-term and long-term stability of less than 1 MHz, which is less than the natural linewidth of alkali-atomic D-lines, making similar systems suitable for use as a "turn-key" solution for laser-cooling experiments.
Atomic-scale structural signature of dynamic heterogeneities in metallic liquids
NASA Astrophysics Data System (ADS)
Pasturel, Alain; Jakse, Noel
2017-08-01
With sufficiently high cooling rates, liquids will cross their equilibrium melting temperatures and can be maintained in a metastable undercooled state before solidifying. Studies of undercooled liquids reveal several intriguing dynamic phenomena and because explicit connections between liquid structure and liquids dynamics are difficult to identify, it remains a major challenge to capture the underlying structural link to these phenomena. Ab initio molecular dynamics (AIMD) simulations are yet especially powerful in providing atomic-scale details otherwise not accessible in experiments. Through the AIMD-based study of Cr additions in Al-based liquids, we evidence for the first time a close relationship between the decoupling of component diffusion and the emergence of dynamic heterogeneities in the undercooling regime. In addition, we demonstrate that the origin of both phenomena is related to a structural heterogeneity caused by a strong interplay between chemical short-range order (CSRO) and local fivefold topology (ISRO) at the short-range scale in the liquid phase that develops into an icosahedral-based medium-range order (IMRO) upon undercooling. Finally, our findings reveal that this structural signature is also captured in the temperature dependence of partial pair-distribution functions which opens up the route to more elaborated experimental studies.
Breen, Andrew J; Moody, Michael P; Ceguerra, Anna V; Gault, Baptiste; Araullo-Peters, Vicente J; Ringer, Simon P
2015-12-01
The following manuscript presents a novel approach for creating lattice based models of Sb-doped Si directly from atom probe reconstructions for the purposes of improving information on dopant positioning and directly informing quantum mechanics based materials modeling approaches. Sophisticated crystallographic analysis techniques are used to detect latent crystal structure within the atom probe reconstructions with unprecedented accuracy. A distortion correction algorithm is then developed to precisely calibrate the detected crystal structure to the theoretically known diamond cubic lattice. The reconstructed atoms are then positioned on their most likely lattice positions. Simulations are then used to determine the accuracy of such an approach and show that improvements to short-range order measurements are possible for noise levels and detector efficiencies comparable with experimentally collected atom probe data. Copyright © 2015 Elsevier B.V. All rights reserved.
NASA Astrophysics Data System (ADS)
Sanada, Masakazu; Tamada, Osamu; Ishikawa, Atsushi; Kawai, Akira
2005-05-01
Adhesion property of resist is characterized with DPAT (direct peeling with atomic force microscope (AFM) tip) method using 193 nm resist patterns of 180 nm dot shape which were developed for various developing time between 12 and 120 seconds in order to analyze the phenomenon which the short develop time process had led to suppress the pattern collapse. Surface free energy and refractive index of resist film treated with the developing time were also investigated from a thermodynamic point of view. The balance model among surface energy was adopted for analyzing intrusion phenomenon of developer solution into the resist-substrate interface. It can be explained quantitatively that the intrusion energy of developer solution acts to weaken the adhesion strength of resist pattern to the substrate. Furthermore, the intrusion energy became larger with increasing developing time. Analysis with the DPAT method indicates that the pattern collapse occurs accompanied with interface and cohesion destruction. Interface-scientifically speaking, the short develop time process proved to be effective to suppress the pattern collapse because of higher adhesion energy of the resist pattern to the substrate in shorter developing time.
Espíndola-Heredia, Rodolfo; del Río, Fernando; Malijevsky, Anatol
2009-01-14
The free energy of square-well (SW) systems of hard-core diameter sigma with ranges 1 < or = lambda < or = 3 is expanded in a perturbation series. This interval covers most ranges of interest, from short-ranged SW fluids (lambda approximately 1.2) used in modeling colloids to long ranges (lambda approximately 3) where the van der Waals classic approximation holds. The first four terms are evaluated by means of extensive Monte Carlo simulations. The calculations are corrected for the thermodynamic limit and care is taken to evaluate and to control the various sources of error. The results for the first two terms in the series confirm well-known independent results but have an increased estimated accuracy and cover a wider set of well ranges. The results for the third- and fourth-order terms are novel. The free-energy expansion for systems with short and intermediate ranges, 1 < or = lambda < or = 2, is seen to have properties similar to those of systems with longer ranges, 2 < or = lambda < or = 3. An equation of state (EOS) is built to represent the free-energy data. The thermodynamics given by this EOS, confronted against independent computer simulations, is shown to predict accurately the internal energy, pressure, specific heat, and chemical potential of the SW fluids considered and for densities 0 < or = rho sigma(3) < or = 0.9 including subcritical temperatures. This fourth-order theory is estimated to be accurate except for a small region at high density, rho sigma(3) approximately 0.9, and low temperature where terms of still higher order might be needed.
NASA Astrophysics Data System (ADS)
Thanh, Tran Dang; Nanto, Dwi; Tuyen, Ngo Thi Uyen; Nan, Wen-Zhe; Yu, YiKyung; Tartakovsky, Daniel M.; Yu, S. C.
2015-11-01
In this work, we prepared nanocrystalline Fe2Mn1-xCuxAl (x=0.0, 0.1 and 0.3) powders by the high energy ball milling technique, and then studied their critical properties. Our analysis reveals that the increase of Cu-doping concentration (up to x=0.3) in these powders leads to a gradual increase of the ferromagnetic-paramagnetic transition temperature from 406 to 452 K. The Banerjee criterion suggests that all the samples considered undergo a second-order phase transition. A modified Arrott plot and scaling analysis indicate that the critical exponents (β=0.419 and 0.442, γ=1.082 and 1.116 for x=0.0 and 0.1, respectively) are located in between those expected for the 3D-Heisenberg and the mean-field models; the values of β=0.495 and γ=1.046 for x=0.3 sample are very close to those of the mean-field model. These features reveal the coexistence of the short- and long-range ferromagnetic order in the nanocrystalline Fe2Mn1-xCuxAl powders. Particularly, as the concentration of Cu increases, values of the critical exponent shift towards those of the mean-field model. Such results prove the Cu doping favors establishing a long-range ferromagnetic order.
Laser-ranging long-baseline differential atom interferometers for space
NASA Astrophysics Data System (ADS)
Chiow, Sheng-wey; Williams, Jason; Yu, Nan
2015-12-01
High-sensitivity differential atom interferometers (AIs) are promising for precision measurements in science frontiers in space, including gravity-field mapping for Earth science studies and gravitational wave detection. Difficulties associated with implementing long-baseline differential AIs have previously included the need for a high optical power, large differential Doppler shifts, and narrow dynamic range. We propose a configuration of twin AIs connected by a laser-ranging interferometer (LRI-AI) to provide precise information of the displacements between the two AI reference mirrors and also to phase-lock the two independent interferometer lasers over long distances, thereby drastically improving the practical feasibility of long-baseline differential AI measurements. We show that a properly implemented LRI-AI can achieve equivalent functionality to the conventional differential AI measurement configuration.
A short-range optical wireless transmission method based on LED
NASA Astrophysics Data System (ADS)
Miao, Meiyuan; Chen, Ailin; Zhu, Mingxing; Li, Ping; Gao, Yingming; Zou, Nianyu
2016-10-01
As to electromagnetic wave interfere and only one to one transmission problem of Bluetooth, a short-range LED optical wireless transmission method is proposed to be complementary technology in this paper. Furthermore achieved image transmission through this method. The system makes C52 to be the mater controller, transmitter got data from terminals by USB and sends modulated signals with LED. Optical signal is detected by PD, through amplified, filtered with shaping wave from, and demodulated on receiver. Then send to terminals like PC and reverted back to original image. Analysis the performance from peak power and average power, power consumption of transmitter, relationship of bit error rate and modulation mode, and influence of ambient light, respectively. The results shows that image can be received accurately which uses this method. The most distant transmission distance can get to 1m with transmitter LED source of 1w, and the transfer rate is 14.4Kbit/s with OOK modulation mode on stabilization system, the ambient light effect little to LED transmission system in normal light environment. The method is a convenient to carry LED wireless short range transmission for mobile transmission equipment as a supplement of Bluetooth short-range transmission for its ISM band interfere, and the analysis method in this paper can be a reference for other similar systems. It also proves the system is feasibility for next study.
Myocardial short-range force responses increase with age in F344 rats
Mitov, Mihail I.; Holbrook, Anastasia M.; Campbell, Kenneth S.
2009-01-01
The mechanical properties of triton-permeabilized ventricular preparations isolated from 4, 18 and 24-month-old F344 rats were analyzed to provide information about the molecular mechanisms that lead to age-related increases in diastolic myocardial stiffness in these animals. Passive stiffness (measured in solutions with minimal free Ca2+) did not change with age. This implies that the aging-associated dysfunction is not due to changes in titin or collagen molecules. Ca2+-activated preparations exhibited a characteristic short-range force response: force rose rapidly until the muscle reached its elastic limit and less rapidly thereafter. The elastic limit increased from 0.43 ± 0.01 % l0 (where l0 is the initial muscle length) in preparations from 4-month-old animals to 0.49 ± 0.01 % l0 in preparations from 24-month-old rats (p<0.001, ANOVA). Relative short-range force was defined as the maximum force produced during the short-range response normalized to the prevailing tension. This parameter increased from 0.110 ± 0.002 to 0.142 ± 0.002 over the same age-span (p<0.001, ANOVA). Analytical gel electrophoresis showed that the maximum stiffness of the preparations during the short-range response and the relative short-range force increased (p=0.031 and p=0.005 respectively) with the relative content of slow β myosin heavy chain molecules. Elastic limit values did not correlate with myosin isoform content. Simulations based on these results suggest that attached β myosin heavy chain cross-bridges are stiffer than links formed by α myosin heads. In conclusion, elevated content of stiffer β myosin heavy chain molecules may contribute to aging-associated increases in myocardial stiffness. PMID:19007786
Subatomic Features on the Silicon (111)-(7x7) Surface Observed by Atomic Force Microscopy.
Giessibl; Hembacher; Bielefeldt; Mannhart
2000-07-21
The atomic force microscope images surfaces by sensing the forces between a sharp tip and a sample. If the tip-sample interaction is dominated by short-range forces due to the formation of covalent bonds, the image of an individual atom should reflect the angular symmetry of the interaction. Here, we report on a distinct substructure in the images of individual adatoms on silicon (111)-(7x7), two crescents with a spherical envelope. The crescents are interpreted as images of two atomic orbitals of the front atom of the tip. Key for the observation of these subatomic features is a force-detection scheme with superior noise performance and enhanced sensitivity to short-range forces.
Cooling rate dependence of structural order in Ni62Nb38 metallic glass
NASA Astrophysics Data System (ADS)
Wen, Tongqi; Sun, Yang; Ye, Beilin; Tang, Ling; Yang, Zejin; Ho, Kai-Ming; Wang, Cai-Zhuang; Wang, Nan
2018-01-01
Molecular dynamics (MD) simulations are performed to study the structure of Ni62Nb38 bulk metallic glass at the atomistic level. Structural analysis based on the cluster alignment method is carried out and a new Ni-centered distorted-icosahedra (DISICO) motif is excavated. We show that the short-range order and medium-range order in the glass are enhanced with lower cooling rate. Almost 50% of the clusters around the Ni atoms in the well-annealed Ni62Nb38 glass sample from our MD simulations can be classified as DISICO. It is revealed that the structural distortion with respect to the perfect icosahedra is driven by chemical ordering in the distorted region of the DISICO motif. The relationship between the structure, energy, and dynamics in this glass-forming alloy during the cooling and annealing processes is also established.
NASA Astrophysics Data System (ADS)
Asta, Mark; Morgan, Dane; Hoyt, J. J.; Sadigh, Babak; Althoff, J. D.; de Fontaine, D.; Foiles, S. M.
1999-06-01
Structural, thermodynamic, and atomic-transport properties of liquid Ni-Al alloys have been studied by Monte Carlo and molecular-dynamics simulations based upon three different embedded-atom method (EAM) interatomic potentials, namely those due to Foiles and Daw (FD) [J. Mater. Res. 2, 5 (1987)], Voter and Chen (VC) [in Characterization of Defects in Materials, edited by R. W. Siegel et al. MRS Symposia Proceedings. No. 82 (Materials Research Society, Pittsburgh, 1987), p.175] and Ludwig and Gumbsch (LG) [Model. Simul. Mater. Sci. Eng. 3, 533 (1995)]. We present detailed comparisons between calculated results and experimental data for structure factors, atomic volumes, enthalpies of mixing, activities, and viscosities. Calculated partial structure factors are found to be in semiquantitative agreement with published neutron scattering measurements for Ni20Al80 alloys, indicating that short-range order in the liquid phase is qualitatively well described. Calculated thermodynamic properties of mixing are found to agree very well with experimental data for Ni compositions greater than 75 atomic %, while for alloys richer in Al the magnitudes of the enthalpies and entropies of mixing are significantly underestimated. The VC and LG potentials give atomic densities and viscosities in good agreement with experiment for Ni-rich compositions, while FD potentials consistently underestimate both properties at all concentrations. The results of this study demonstrate that VC and LG potentials provide a realistic description of the thermodynamic and atomic transport properties for NixAl1-x liquid alloys with x>=0.75, and point to the limitations of EAM potentials for alloys richer in Al.
John A. Schneeloch; Xu, Zhijun; Winn, B.; ...
2015-12-28
We report neutron inelastic scattering experiments on single-crystal PbMg 1/3Nb 2/3O 3 doped with 32% PbTiO 3, 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 showmore » 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.« less
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.
Short-term stability improvements of an optical frequency standard based on free Ca atoms
NASA Astrophysics Data System (ADS)
Sherman, Jeff; Oates, Chris
2010-03-01
Compared to optical frequency standards featuring trapped ions or atoms in optical lattices, the strength of a standard using freely expanding neutral calcium atoms is not ultimate accuracy but rather short-term stability and experimental simplicity. Recently, a fractional frequency instability of 4 x10-15 at 1 second was demonstrated for the Ca standard at 657 nm [1]. The short cycle time (˜2 ms) combined with only a moderate interrogation duty cycle (˜15 %) is thought to introduce excess, and potentially critically limiting technical noise due to the Dick effect---high-frequency noise on the laser oscillator is not averaged away but is instead down-sampled by aliasing. We will present results of two strategies employed to minimize this effect: the reduction of clock laser noise by filtering the master clock oscillator through a high-finesse optical cavity [2], and an optimization of the interrogation cycle to match our laser's noise spectrum.[4pt] [1] Oates et al., Optics Letters, 25(21), 1603--5 (2000)[0pt] [2] Nazarova et al., J. Opt. Soc. Am. B, 5(10), 1632--8 (2008)
Attitude algorithm and initial alignment method for SINS applied in short-range aircraft
NASA Astrophysics Data System (ADS)
Zhang, Rong-Hui; He, Zhao-Cheng; You, Feng; Chen, Bo
2017-07-01
This paper presents an attitude solution algorithm based on the Micro-Electro-Mechanical System and quaternion method. We completed the numerical calculation and engineering practice by adopting fourth-order Runge-Kutta algorithm in the digital signal processor. The state space mathematical model of initial alignment in static base was established, and the initial alignment method based on Kalman filter was proposed. Based on the hardware in the loop simulation platform, the short-range flight simulation test and the actual flight test were carried out. The results show that the error of pitch, yaw and roll angle is fast convergent, and the fitting rate between flight simulation and flight test is more than 85%.
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).
Short range, ultra-wideband radar with high resolution swept range gate
McEwan, Thomas E.
1998-05-26
A radar range finder and hidden object locator is based on ultra-wide band radar with a high resolution swept range gate. The device generates an equivalent time amplitude scan with a typical range of 4 inches to 20 feet, and an analog range resolution as limited by a jitter of on the order of 0.01 inches. A differential sampling receiver is employed to effectively eliminate ringing and other aberrations induced in the receiver by the near proximity of the transmit antenna, so a background subtraction is not needed, simplifying the circuitry while improving performance. Uses of the invention include a replacement of ultrasound devices for fluid level sensing, automotive radar, such as cruise control and parking assistance, hidden object location, such as stud and rebar finding. Also, this technology can be used when positioned over a highway lane to collect vehicle count and speed data for traffic control.
Numerology, hydrogenic levels, and the ordering of excited states in one-electron atoms
NASA Astrophysics Data System (ADS)
Armstrong, Lloyd, Jr.
1982-03-01
We show that the observed ordering of Rydberg states of one-electron atoms can be understood by assuming that these states are basically hydrogenic in nature. Much of the confusion concerning this point is shown to arise from the failure to differentiate between hydrogenic ordering as the nuclear charge approaches infinity, and hydrogenic ordering for an effective charge of one. The origin of κ ordering of Rydberg levels suggested by Sternheimer is considered within this picture, and the predictions of κ ordering are compared with those obtained by assuming hydrogenic ordering.
Basis convergence of range-separated density-functional theory
DOE Office of Scientific and Technical Information (OSTI.GOV)
Franck, Odile, E-mail: odile.franck@etu.upmc.fr; Mussard, Bastien, E-mail: bastien.mussard@upmc.fr; CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris
2015-02-21
Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. Wemore » study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N{sub 2}, and H{sub 2}O) with cardinal number X of the Dunning basis sets cc − p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.« less
Basis convergence of range-separated density-functional theory.
Franck, Odile; Mussard, Bastien; Luppi, Eleonora; Toulouse, Julien
2015-02-21
Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. We study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N2, and H2O) with cardinal number X of the Dunning basis sets cc - p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.
NASA Technical Reports Server (NTRS)
Carter, John; Kelly, John; Jones, Dan; Lee, James
2013-01-01
There is a national effort to expedite advanced space technologies on new space systems for both government and commercial applications. In order to lower risk, these technologies should be demonstrated in a relevant environment before being installed in new space systems. This presentation introduces several low cost, short schedule space technology demonstrations using airborne and range facilities available at the Dryden Flight Research Center.
Long-ranged contributions to solvation free energies from theory and short-ranged models
Remsing, Richard C.; Liu, Shule; Weeks, John D.
2016-01-01
Long-standing problems associated with long-ranged electrostatic interactions have plagued theory and simulation alike. Traditional lattice sum (Ewald-like) treatments of Coulomb interactions add significant overhead to computer simulations and can produce artifacts from spurious interactions between simulation cell images. These subtle issues become particularly apparent when estimating thermodynamic quantities, such as free energies of solvation in charged and polar systems, to which long-ranged Coulomb interactions typically make a large contribution. In this paper, we develop a framework for determining very accurate solvation free energies of systems with long-ranged interactions from models that interact with purely short-ranged potentials. Our approach is generally applicable and can be combined with existing computational and theoretical techniques for estimating solvation thermodynamics. We demonstrate the utility of our approach by examining the hydration thermodynamics of hydrophobic and ionic solutes and the solvation of a large, highly charged colloid that exhibits overcharging, a complex nonlinear electrostatic phenomenon whereby counterions from the solvent effectively overscreen and locally invert the integrated charge of the solvated object. PMID:26929375
NASA Astrophysics Data System (ADS)
Mei, S.; Knezevic, I.
2018-03-01
Thermal transport in bulk ternary III-V arsenide (III-As) semiconductor alloys was investigated using equilibrium molecular dynamics with optimized Albe-Tersoff empirical interatomic potentials. Existing potentials for binary AlAs, GaAs, and InAs were optimized to match experimentally obtained acoustic-phonon dispersions and temperature-dependent thermal conductivity. Calculations of thermal transport in ternary III-Vs commonly employ the virtual-crystal approximation (VCA), where the structure is assumed to be a random alloy and all group-III atoms (cations) are treated as if they have an effective weighted-average mass. Here, we showed that it is critical to treat atomic masses explicitly and that the thermal conductivity obtained with explicit atomic masses differs considerably from the value obtained with the average VCA cation mass. The larger the difference between the cation masses, the poorer the VCA prediction for thermal conductivity. The random-alloy assumption in the VCA is also challenged because X-ray diffraction and transmission electron microscopy show order in InGaAs, InAlAs, and GaAlAs epilayers. We calculated thermal conductivity for three common types of order (CuPt-B, CuAu-I, and triple-period-A) and showed that the experimental results for In0.53Ga0.47As and In0.52Al0.48As, which are lattice matched to the InP substrate, can be reproduced in molecular dynamics simulation with 2% and 8% of random disorder, respectively. Based on our results, thermal transport in ternary III-As alloys appears to be governed by the competition between mass-difference scattering, which is much more pronounced than the VCA suggests, and the long-range order that these alloys support.
Short-range transit planning : current practice and a proposed framework
DOT National Transportation Integrated Search
1984-06-01
The research described in this report explored the service and operations : planning process in the transit industry in a two-phase approach. In the first : phase a detailed assessment of current short range transit planning practice was : undertaken...
NASA Technical Reports Server (NTRS)
Palosz, B.; Grzanka, E.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Neuefiend, J.; Weber, H.-P.; Proffen, T.; VonDreele, R.; Palosz, W.;
2002-01-01
Fundamental limitations, with respect to nanocrystalline materials, of the traditional elaboration of powder diffraction data like the Rietveld method are discussed. A tentative method of the analysis of powder diffraction patterns of nanocrystals is introduced which is based on the examination of the variation of lattice parameters calculated from individual Bragg lines (named the "apparent lattice parameter", alp). We examine the application of our methodology using theoretical diffraction patterns computed for models of nanocrystals with a perfect crystal lattice and for grains with a two-phase, core-shell structure. We use the method for the analysis of X-ray and neutron experimental diffraction data of nanocrystalline diamond powders of 4, 6 and 12 nm in diameter. The effects of an internal pressure and strain at the grain surface is discussed. This is based on the dependence of the alp values oil the diffraction vector Q and on the PDF analysis. It is shown, that the experimental results support well the concept of the two-phase structure of nanocrystalline diamond.
Short range, ultra-wideband radar with high resolution swept range gate
McEwan, T.E.
1998-05-26
A radar range finder and hidden object locator is based on ultra-wide band radar with a high resolution swept range gate. The device generates an equivalent time amplitude scan with a typical range of 4 inches to 20 feet, and an analog range resolution as limited by a jitter of on the order of 0.01 inches. A differential sampling receiver is employed to effectively eliminate ringing and other aberrations induced in the receiver by the near proximity of the transmit antenna, so a background subtraction is not needed, simplifying the circuitry while improving performance. Uses of the invention include a replacement of ultrasound devices for fluid level sensing, automotive radar, such as cruise control and parking assistance, hidden object location, such as stud and rebar finding. Also, this technology can be used when positioned over a highway lane to collect vehicle count and speed data for traffic control. 14 figs.
Ordering Transformations in High-Entropy Alloys
NASA Astrophysics Data System (ADS)
Singh, Prashant; Johnson, Duane D.
The high-temperature disordered phase of multi-component alloys, including high-entropy alloys (HEA), generally must experience segregation or else passes through partially-ordered phases to reach the low-temperature, fully-ordered phase. Our first-principles KKR-CPA-based atomic short-range ordering (SRO) calculations (analyzed as concentration-waves) reveal the competing partially and fully ordered phases in HEA, and these phases can be then directly assessed from KKR-CPA results in larger unit cells [Phys. Rev. B 91, 224204 (2015)]. For AlxCrFeNiTi0.25, Liu et al. [J Alloys Compd 619, 610 (2015)] experimentally find FCC+BCC coexistence that changes to BCC with increasing Al (x from 0-to-1), which then exhibits a partially-ordered B2 at low temperatures. CALPHAD (Calculation of Phase Diagrams) predicts a region with L21+B2 coexistence. From KKR-CPA calculations, we find crossover versus Al from FCC+BCC coexistence to BCC, as observed, and regions for partially-order B2+L21 coexistence, as suggest by CALPHAD. Our combined first-principles KKR-CPA method provides a powerful approach in predicting SRO and completing long-range order in HEA and other complex alloys. Supported by the U.S. DOE, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. Work was performed at Ames Laboratory, which is operated by Iowa State University for the U.S. DOE under Contract #DE-AC02-07CH11358.
Synchrotron x-ray scattering study of charge-density-wave order in HgBa2CuO4 +δ
NASA Astrophysics Data System (ADS)
Tabis, W.; Yu, B.; Bialo, I.; Bluschke, M.; Kolodziej, T.; Kozlowski, A.; Blackburn, E.; Sen, K.; Forgan, E. M.; Zimmermann, M. v.; Tang, Y.; Weschke, E.; Vignolle, B.; Hepting, M.; Gretarsson, H.; Sutarto, R.; He, F.; Le Tacon, M.; Barišić, N.; Yu, G.; Greven, M.
2017-10-01
We present a detailed synchrotron x-ray scattering study of the charge-density-wave (CDW) order in simple tetragonal HgBa2CuO4 +δ (Hg1201). Resonant soft x-ray scattering measurements reveal that short-range order appears at a temperature that is distinctly lower than the pseudogap temperature and in excellent agreement with a prior transient reflectivity result. Despite considerable structural differences between Hg1201 and YBa2Cu3O6 +δ , the CDW correlations exhibit similar doping dependencies, and we demonstrate a universal relationship between the CDW wave vector and the size of the reconstructed Fermi pocket observed in quantum oscillation experiments. The CDW correlations in Hg1201 vanish already below optimal doping, once the correlation length is comparable to the CDW modulation period, and they appear to be limited by the disorder potential from unit cells hosting two interstitial oxygen atoms. A complementary hard x-ray diffraction measurement, performed on an underdoped Hg1201 sample in magnetic fields along the crystallographic c axis of up to 16 T, provides information on the form factor of the CDW order. As expected from the single-CuO2-layer structure of Hg1201, the CDW correlations vanish at half-integer values of L and appear to be peaked at integer L . We conclude that the atomic displacements associated with the short-range CDW order are mainly planar, within the CuO2 layers.
Similar local order in disordered fluorite and aperiodic pyrochlore structures
Shamblin, Jacob; Tracy, Cameron; Palomares, Raul; ...
2017-10-01
A major challenge to understanding the response of materials to extreme environments (e.g., nuclear fuels/waste forms and fusion materials) is to unravel the processes by which a material can incorporate atomic-scale disorder, and at the same time, remain crystalline. While it has long been known that all condensed matter, even liquids and glasses, possess short-range order, the relation between fully-ordered, disordered, and aperiodic structures over multiple length scales is not well understood. For example, when defects are introduced (via pressure or irradiation) into materials adopting the pyrochlore structure, these complex oxides either disorder over specific crystallographic sites, remaining crystalline, ormore » become aperiodic. Here we present neutron total scattering results characterizing the irradiation response of two pyrochlores, one that is known to disorder (Er2Sn2O7) and the other to amorphize (Dy2Sn2O7) under ion irradiation. The results demonstrate that in both cases, the local pyrochlore structure is transformed into similar short range configurations that are best fit by the orthorhombic weberite structure, even though the two compositions have distinctly different structures, aperiodic vs. disordered-crystalline, at longer length scales. Thus, a material's resistance to amorphization may not depend primarily on local defect formation energies, but rather on the structure's compatibility with meso-scale modulations of the local order in a way that maintains long-range periodicity.« less
Schneider, Nadine; Sayle, Roger A; Landrum, Gregory A
2015-10-26
Finding a canonical ordering of the atoms in a molecule is a prerequisite for generating a unique representation of the molecule. The canonicalization of a molecule is usually accomplished by applying some sort of graph relaxation algorithm, the most common of which is the Morgan algorithm. There are known issues with that algorithm that lead to noncanonical atom orderings as well as problems when it is applied to large molecules like proteins. Furthermore, each cheminformatics toolkit or software provides its own version of a canonical ordering, most based on unpublished algorithms, which also complicates the generation of a universal unique identifier for molecules. We present an alternative canonicalization approach that uses a standard stable-sorting algorithm instead of a Morgan-like index. Two new invariants that allow canonical ordering of molecules with dependent chirality as well as those with highly symmetrical cyclic graphs have been developed. The new approach proved to be robust and fast when tested on the 1.45 million compounds of the ChEMBL 20 data set in different scenarios like random renumbering of input atoms or SMILES round tripping. Our new algorithm is able to generate a canonical order of the atoms of protein molecules within a few milliseconds. The novel algorithm is implemented in the open-source cheminformatics toolkit RDKit. With this paper, we provide a reference Python implementation of the algorithm that could easily be integrated in any cheminformatics toolkit. This provides a first step toward a common standard for canonical atom ordering to generate a universal unique identifier for molecules other than InChI.
Long-range-corrected Rung 3.5 density functional approximations
NASA Astrophysics Data System (ADS)
Janesko, Benjamin G.; Proynov, Emil; Scalmani, Giovanni; Frisch, Michael J.
2018-03-01
Rung 3.5 functionals are a new class of approximations for density functional theory. They provide a flexible intermediate between exact (Hartree-Fock, HF) exchange and semilocal approximations for exchange. Existing Rung 3.5 functionals inherit semilocal functionals' limitations in atomic cores and density tails. Here we address those limitations using range-separated admixture of HF exchange. We present three new functionals. LRC-ωΠLDA combines long-range HF exchange with short-range Rung 3.5 ΠLDA exchange. SLC-ΠLDA combines short- and long-range HF exchange with middle-range ΠLDA exchange. LRC-ωΠLDA-AC incorporates a combination of HF, semilocal, and Rung 3.5 exchange in the short range, based on an adiabatic connection. We test these in a new Rung 3.5 implementation including up to analytic fourth derivatives. LRC-ωΠLDA and SLC-ΠLDA improve atomization energies and reaction barriers by a factor of 8 compared to the full-range ΠLDA. LRC-ωΠLDA-AC brings further improvement approaching the accuracy of standard long-range corrected schemes LC-ωPBE and SLC-PBE. The new functionals yield highest occupied orbital energies closer to experimental ionization potentials and describe correctly the weak charge-transfer complex of ethylene and dichlorine and the hole-spin distribution created by an Al defect in quartz. This study provides a framework for more flexible range-separated Rung 3.5 approximations.
Short-range structure and cation bonding in calcium-aluminum metaphosphate glasses.
Schneider, J; Oliveira, S L; Nunes, L A O; Bonk, F; Panepucci, H
2005-01-24
Comprehension of short- and medium-range order of phosphate glasses is a topic of interest, due to the close relation between network structure and mechanical, thermal, and optical properties. In this work, the short-range structure of glasses (1 - x)Ca(PO(3))(2).xAl(PO(3))(3) with 0 < or = x < or = 0.47 was studied using solid-state nuclear magnetic resonance spectroscopy, Raman spectroscopy, density measurements, and differential scanning calorimetry. The bonding between a network modifier species, Al, and the network forming phosphate groups was probed using high-resolution nuclear magnetic resonance spectroscopy of (27)Al and (31)P. Changes in the compositional behavior of the density, glass transition temperature, PO(2) symmetric vibrations, and Al coordination number were verified at around x = 0.30. (31)P NMR spectra show the presence of phosphorus in Q(2) sites with nonbridging oxygens (NBOs) coordinated by Ca ions and also Q(2) sites with one NBO coordinated by Al (namely, Q(2)(1Al)). The changes in the properties as a function of x can be understood by considering the mean coordination number measured for Al and the formation of only Q(2) and Q(2)(1Al) species. It is possible to calculate that a network formed only by Q(2)(1Al) phosphates can just exist up to the upper limit of x = 0.48. Above this value, Q(2)(2Al) species should appear, imposing a major reorganization of the network. Above x = 0.30 the network undergoes a progressive reorganization to incorporate Al ions, maintaining the condition that only Q(2)(1Al) species are formed. These observations support the idea that bonding principles for cationic species inferred originally in binary phosphate glasses can also be extended to ternary systems.
Molecular emulsions: from charge order to domain order.
Perera, Aurélien
2017-10-25
Aqueous mixtures of small molecules, such as lower n-alkanols for example, are known to be micro-segregated, with domains in the nano-meter range. One consequence of this micro-segregation would be the existence of long range domain-domain oscillatory correlations in the various atom-atom pair correlation functions, and subsequent pre-peaks in the corresponding atom-atom structure factors, in the q-vector range corresponding to nano-sized domains. However, no such pre-peak have ever been observed in the large corpus of radiation scattering data published so far on aqueous mixtures of small n-alkanols. By using large scale simulations of aqueous-1propanol mixtures, it is shown herein that the origin for the absence of scattering pre-peak resides in the exact cancellation of the contributions of the various atom-atom correlation pre-peaks to the total scattered intensity. The mechanism for this cancellation is due to the differences in the long range oscillatory behaviour of the correlations (beyond 1 nm), which are exactly out-of-phase between same species and cross species. This is similar to the charge order observed in ionic melts, but differs from room temperature ionic liquids, where the segregation is between charged and neutral groups, instead of species segregation. The consequences of such cancellation in the experimental scattering data are examined, in relation to the possibility of detecting micro-segregation through such methods. In the particular case of aqueous-1propanol mixtures, it is shown the X-ray scattering leads an exact cancellation, while this cancellation in neutron scattering is seen to depend on the deuteration ratio between solvent and solute.
High-order-harmonic generation from Rydberg atoms driven by plasmon-enhanced laser fields
NASA Astrophysics Data System (ADS)
Tikman, Y.; Yavuz, I.; Ciappina, M. F.; Chacón, A.; Altun, Z.; Lewenstein, M.
2016-02-01
We theoretically investigate high-order-harmonic generation (HHG) in Rydberg atoms driven by spatially inhomogeneous laser fields, induced, for instance, by plasmonic enhancement. It is well known that the laser intensity should exceed a certain threshold in order to stimulate HHG when noble gas atoms in their ground state are used as an active medium. One way to enhance the coherent light coming from a conventional laser oscillator is to take advantage of the amplification obtained by the so-called surface plasmon polaritons, created when a low-intensity laser field is focused onto a metallic nanostructure. The main limitation of this scheme is the low damage threshold of the materials employed in the nanostructure engineering. In this work we propose the use of Rydberg atoms, driven by spatially inhomogeneous, plasmon-enhanced laser fields, for HHG. We exhaustively discuss the behavior and efficiency of these systems in the generation of coherent harmonic emission. Toward this aim we numerically solve the time-dependent Schrödinger equation for an atom, with an electron initially in a highly excited n th Rydberg state, located in the vicinity of a metallic nanostructure. In this zone the electric field changes spatially on scales relevant for the dynamics of the laser-ionized electron. We first use a one-dimensional model to investigate systematically the phenomena. We then employ a more realistic situation, in which the interaction of a plasmon-enhanced laser field with a three-dimensional hydrogen atom is modeled. We discuss the scaling of the relevant input parameters with the principal quantum number n of the Rydberg state in question and demonstrate that harmonic emission can be achieved from Rydberg atoms well below the damage threshold, thus without deterioration of the geometry and properties of the metallic nanostructure.
The RPA Atomization Energy Puzzle.
Ruzsinszky, Adrienn; Perdew, John P; Csonka, Gábor I
2010-01-12
There is current interest in the random phase approximation (RPA), a "fifth-rung" density functional for the exchange-correlation energy. RPA has full exact exchange and constructs the correlation with the help of the unoccupied Kohn-Sham orbitals. In many cases (uniform electron gas, jellium surface, and free atom), the correction to RPA is a short-ranged effect that is captured by a local spin density approximation (LSDA) or a generalized gradient approximation (GGA). Nonempirical density functionals for the correction to RPA were constructed earlier at the LSDA and GGA levels (RPA+), but they are constructed here at the fully nonlocal level (RPA++), using the van der Waals density functional (vdW-DF) of Langreth, Lundqvist, and collaborators. While they make important and helpful corrections to RPA total and ionization energies of free atoms, they correct the RPA atomization energies of molecules by only about 1 kcal/mol. Thus, it is puzzling that RPA atomization energies are, on average, about 10 kcal/mol lower than those of accurate values from experiment. We find here that a hybrid of 50% Perdew-Burke-Ernzerhof GGA with 50% RPA+ yields atomization energies much more accurate than either one does alone. This suggests a solution to the puzzle: While the proper correction to RPA is short-ranged in some systems, its contribution to the correlation hole can spread out in a molecule with multiple atomic centers, canceling part of the spread of the exact exchange hole (more so than in RPA or RPA+), making the true exchange-correlation hole more localized than in RPA or RPA+. This effect is not captured even by the vdW-DF nonlocality, but it requires the different kind of full nonlocality present in a hybrid functional.
NASA Astrophysics Data System (ADS)
Yan, Yangqian; Blume, D.
2016-05-01
The unitary equal-mass Fermi gas with zero-range interactions constitutes a paradigmatic model system that is relevant to atomic, condensed matter, nuclear, particle, and astro physics. This work determines the fourth-order virial coefficient b4 of such a strongly-interacting Fermi gas using a customized ab inito path integral Monte Carlo (PIMC) algorithm. In contrast to earlier theoretical results, which disagreed on the sign and magnitude of b4, our b4 agrees with the experimentally determined value, thereby resolving an ongoing literature debate. Utilizing a trap regulator, our PIMC approach determines the fourth-order virial coefficient by directly sampling the partition function. An on-the-fly anti-symmetrization avoids the Thomas collapse and, combined with the use of the exact two-body zero-range propagator, establishes an efficient general means to treat small Fermi systems with zero-range interactions. We gratefully acknowledge support by the NSF.
Cooling rate dependence of structural order in Ni 62 Nb 38 metallic glass
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wen, Tongqi; Sun, Yang; Ye, Beilin
In this article, molecular dynamics (MD) simulations are performed to study the structure of Ni 62Nb 38 bulk metallic glass at the atomistic level. Structural analysis based on the cluster alignment method is carried out and a new Ni-centered distorted-icosahedra (DISICO) motif is excavated. We show that the short-range order and medium-range order in the glass are enhanced with lower cooling rate. Almost 50% of the clusters around the Ni atoms in the well-annealed Ni 62Nb 38 glass sample from our MD simulations can be classified as DISICO. It is revealed that the structural distortion with respect to the perfectmore » icosahedra is driven by chemical ordering in the distorted region of the DISICO motif. The relationship between the structure, energy, and dynamics in this glass-forming alloy during the cooling and annealing processes is also established.« less
Cooling rate dependence of structural order in Ni 62 Nb 38 metallic glass
Wen, Tongqi; Sun, Yang; Ye, Beilin; ...
2018-01-31
In this article, molecular dynamics (MD) simulations are performed to study the structure of Ni 62Nb 38 bulk metallic glass at the atomistic level. Structural analysis based on the cluster alignment method is carried out and a new Ni-centered distorted-icosahedra (DISICO) motif is excavated. We show that the short-range order and medium-range order in the glass are enhanced with lower cooling rate. Almost 50% of the clusters around the Ni atoms in the well-annealed Ni 62Nb 38 glass sample from our MD simulations can be classified as DISICO. It is revealed that the structural distortion with respect to the perfectmore » icosahedra is driven by chemical ordering in the distorted region of the DISICO motif. The relationship between the structure, energy, and dynamics in this glass-forming alloy during the cooling and annealing processes is also established.« less
Metal-atom Interactions and Clustering in Organic Semiconductor Systems
NASA Astrophysics Data System (ADS)
Tomita, Yoko; Park, Tea-uk; Nakayama, Takashi
2017-07-01
The interatomic interactions and clustering of metal atoms have been studied by first-principles calculations in graphene, pentacene, and polyacetylene as representative organic systems. It is shown that long-range repulsive Coulomb interaction appears between metal atoms with small electronegativity such as Al due to their ionization on host organic molecules, inducing their scattered distribution in organic systems. On the other hand, metal atoms with large electronegativity such as Au are weakly bonded to organic molecules, easily diffuse in molecular solids, and prefer to combine with each other owing to their short-range strong metallic-bonding interaction, promoting metal cluster generation in organic systems.
NASA Astrophysics Data System (ADS)
Yan, Yangqian; Blume, D.
2016-06-01
The unitary equal-mass Fermi gas with zero-range interactions constitutes a paradigmatic model system that is relevant to atomic, condensed matter, nuclear, particle, and astrophysics. This work determines the fourth-order virial coefficient b4 of such a strongly interacting Fermi gas using a customized ab initio path-integral Monte Carlo (PIMC) algorithm. In contrast to earlier theoretical results, which disagreed on the sign and magnitude of b4 , our b4 agrees within error bars with the experimentally determined value, thereby resolving an ongoing literature debate. Utilizing a trap regulator, our PIMC approach determines the fourth-order virial coefficient by directly sampling the partition function. An on-the-fly antisymmetrization avoids the Thomas collapse and, combined with the use of the exact two-body zero-range propagator, establishes an efficient general means to treat small Fermi systems with zero-range interactions.
NASA Astrophysics Data System (ADS)
Mi, Guangbao; Li, Peijie; He, Liangju
2010-09-01
Based on the mechanism of metal solid-liquid phase change and the theory of liquid metal’s micro-inhomogeneity, a physical model is established between latent heats of fusion and vaporization and the numbers of residual bonds and short-range ordered atoms at the melting point inside a metal melt. Meanwhile, the mathematical derivation and proof are also offered. This model produces the numbers of residual bonds and short-range ordered atoms after the solid-liquid phase change only by using basic parameters and thermophysical properties of the crystal structure. Therefore, it presents a more effective way to analyze the melt’s structural information. By using this model, this study calculates the numbers of residual bonds and short-range ordered atoms in Al and Ni melts. The calculated results are consistent with the experimental results. Simultaneously, this study discusses the atomic number’s influence on the numbers of residual bonds and short-range ordered atoms in the melts within the first (IA) and second main group (IIA) elements.
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
Structural and chemical orders in N i 64.5 Z r 35.5 metallic glass by molecular dynamics simulation
Tang, L.; Wen, T. Q.; Wang, N.; ...
2018-03-06
The atomic structure of Ni 64.5Zr 35.5 metallic glass has been investigated by molecular dynamics (MD) simulations. The calculated structure factors from the MD glassy sample at room temperature agree well with the X-ray diffraction (XRD) and neutron diffraction (ND) experimental data. Using the pairwise cluster alignment and clique analysis methods, we show that there are three types dominant short-range order (SRO) motifs around Ni atoms in the glass sample of Ni 64.5Zr 35.5, i.e., Mixed- Icosahedron(ICO)-Cube, Twined-Cube and icosahedron-like clusters. Furthermore, chemical order and medium-range order (MRO) analysis show that the Mixed-ICOCube and Twined-Cube clusters exhibit the characteristics ofmore » the crystalline B2 phase. In conclusion, our simulation results suggest that the weak glass-forming ability (GFA) of Ni 64.5Zr 35.5 can be attributed to the competition between the glass forming ICO SRO and the crystalline Mixed-ICO-Cube and Twined-Cube motifs.« less
Structural and chemical orders in N i 64.5 Z r 35.5 metallic glass by molecular dynamics simulation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tang, L.; Wen, T. Q.; Wang, N.
The atomic structure of Ni 64.5Zr 35.5 metallic glass has been investigated by molecular dynamics (MD) simulations. The calculated structure factors from the MD glassy sample at room temperature agree well with the X-ray diffraction (XRD) and neutron diffraction (ND) experimental data. Using the pairwise cluster alignment and clique analysis methods, we show that there are three types dominant short-range order (SRO) motifs around Ni atoms in the glass sample of Ni 64.5Zr 35.5, i.e., Mixed- Icosahedron(ICO)-Cube, Twined-Cube and icosahedron-like clusters. Furthermore, chemical order and medium-range order (MRO) analysis show that the Mixed-ICOCube and Twined-Cube clusters exhibit the characteristics ofmore » the crystalline B2 phase. In conclusion, our simulation results suggest that the weak glass-forming ability (GFA) of Ni 64.5Zr 35.5 can be attributed to the competition between the glass forming ICO SRO and the crystalline Mixed-ICO-Cube and Twined-Cube motifs.« less
Structural and chemical orders in N i64.5Z r35.5 metallic glass by molecular dynamics simulation
NASA Astrophysics Data System (ADS)
Tang, L.; Wen, T. Q.; Wang, N.; Sun, Y.; Zhang, F.; Yang, Z. J.; Ho, K. M.; Wang, C. Z.
2018-03-01
The atomic structure of N i64.5Z r35.5 metallic glass has been investigated by molecular dynamics (MD) simulations. The calculated structure factors from the MD glassy sample at room temperature agree well with the x-ray diffraction (XRD) and neutron diffraction (ND) experimental data. Using the pairwise cluster alignment and clique analysis methods, we show that there are three types of dominant short-range order (SRO) motifs around Ni atoms in the glass sample of N i64.5Z r35.5 , i.e., mixed-icosahedron(ICO)-cube, intertwined-cube, and icosahedronlike clusters. Furthermore, chemical order and medium-range order (MRO) analysis show that the mixed-ICO-cube and intertwined-cube clusters exhibit the characteristics of the crystalline B2 phase. Our simulation results suggest that the weak glass-forming ability (GFA) of N i64.5Z r35.5 can be attributed to the competition between the glass forming ICO SRO and the crystalline mixed-ICO-cube and intertwined-cube motifs.
Short-term memory for order but not for item information is impaired in developmental dyslexia.
Hachmann, Wibke M; Bogaerts, Louisa; Szmalec, Arnaud; Woumans, Evy; Duyck, Wouter; Job, Remo
2014-07-01
Recent findings suggest that people with dyslexia experience difficulties with the learning of serial order information during the transition from short- to long-term memory (Szmalec et al. Journal of Experimental Psychology: Learning, Memory, & Cognition 37(5): 1270-1279, 2011). At the same time, models of short-term memory increasingly incorporate a distinction of order and item processing (Majerus et al. Cognition 107: 395-419, 2008). The current study is aimed to investigate whether serial order processing deficiencies in dyslexia can be traced back to a selective impairment of short-term memory for serial order and whether this impairment also affects processing beyond the verbal domain. A sample of 26 adults with dyslexia and a group of age and IQ-matched controls participated in a 2 × 2 × 2 experiment in which we assessed short-term recognition performance for order and item information, using both verbal and nonverbal material. Our findings indicate that, irrespective of the type of material, participants with dyslexia recalled the individual items with the same accuracy as the matched control group, whereas the ability to recognize the serial order in which those items were presented appeared to be affected in the dyslexia group. We conclude that dyslexia is characterized by a selective impairment of short-term memory for serial order, but not for item information, and discuss the integration of these findings into current theoretical views on dyslexia and its associated dysfunctions.
NASA Astrophysics Data System (ADS)
Jen, H. R.; Ma, K. Y.; Stringfellow, G. B.
1989-03-01
Results are presented of transmission electron diffraction (TED) observations, demonstrating, for the first time, a CuPt-type ordering in InAs(1-x)Sb(x) alloys, over a wide range of x values (from x = 0.22 to 0.88). The InAsSb alloys were prepared by OMVPE on (001) oriented undoped InSb or InAs substrates. The ordering-induced spots on the TED patterns show the highest intensity for x of about 0.5 and the lowest intensity toward each binary end compound. Only two of the four variants are formed during growth. In some areas, the degree of order for these two variants, 1/2(-1 1 1) and 1/2(1 -1 1), is equal, and in other areas, one variant dominates.
Dielectric constant of atomic fluids with variable polarizability
Alder, B. J.; Beers, J. C.; Strauss, H. L.; Weis, J. J.
1980-01-01
The Clausius-Mossotti function for the dielectric constant is expanded in terms of single atom and pair polarizabilities, leading to contributions that depend on both the trace and the anisotropy of the pair-polarizability tensor. The short-range contribution of the anisotropic part to the pair polarizabilities has previously been obtained empirically from light scattering experiments, whereas the trace contribution is now empirically determined by comparison to dielectric experiments. For helium, the short-range trace part agrees well with electronic structure calculations, whereas for argon qualitative agreement is achieved. PMID:16592830
Dielectric constant of atomic fluids with variable polarizability.
Alder, B J; Beers, J C; Strauss, H L; Weis, J J
1980-06-01
The Clausius-Mossotti function for the dielectric constant is expanded in terms of single atom and pair polarizabilities, leading to contributions that depend on both the trace and the anisotropy of the pair-polarizability tensor. The short-range contribution of the anisotropic part to the pair polarizabilities has previously been obtained empirically from light scattering experiments, whereas the trace contribution is now empirically determined by comparison to dielectric experiments. For helium, the short-range trace part agrees well with electronic structure calculations, whereas for argon qualitative agreement is achieved.
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.
Short range laser obstacle detector. [for surface vehicles using laser diode array
NASA Technical Reports Server (NTRS)
Kuriger, W. L. (Inventor)
1973-01-01
A short range obstacle detector for surface vehicles is described which utilizes an array of laser diodes. The diodes operate one at a time, with one diode for each adjacent azimuth sector. A vibrating mirror a short distance above the surface provides continuous scanning in elevation for all azimuth sectors. A diode laser is synchronized with the vibrating mirror to enable one diode laser to be fired, by pulses from a clock pulse source, a number of times during each elevation scan cycle. The time for a given pulse of light to be reflected from an obstacle and received is detected as a measure of range to the obstacle.
Multiconfigurational short-range density-functional theory for open-shell systems
NASA Astrophysics Data System (ADS)
Hedegârd, Erik Donovan; Toulouse, Julien; Jensen, Hans Jørgen Aagaard
2018-06-01
Many chemical systems cannot be described by quantum chemistry methods based on a single-reference wave function. Accurate predictions of energetic and spectroscopic properties require a delicate balance between describing the most important configurations (static correlation) and obtaining dynamical correlation efficiently. The former is most naturally done through a multiconfigurational (MC) wave function, whereas the latter can be done by, e.g., perturbation theory. We have employed a different strategy, namely, a hybrid between multiconfigurational wave functions and density-functional theory (DFT) based on range separation. The method is denoted by MC short-range DFT (MC-srDFT) and is more efficient than perturbative approaches as it capitalizes on the efficient treatment of the (short-range) dynamical correlation by DFT approximations. In turn, the method also improves DFT with standard approximations through the ability of multiconfigurational wave functions to recover large parts of the static correlation. Until now, our implementation was restricted to closed-shell systems, and to lift this restriction, we present here the generalization of MC-srDFT to open-shell cases. The additional terms required to treat open-shell systems are derived and implemented in the DALTON program. This new method for open-shell systems is illustrated on dioxygen and [Fe(H2O)6]3+.
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.
NASA Astrophysics Data System (ADS)
Gauthier, N.; Fennell, A.; Prévost, B.; Uldry, A.-C.; Delley, B.; Sibille, R.; Désilets-Benoit, A.; Dabkowska, H. A.; Nilsen, G. J.; Regnault, L.-P.; White, J. S.; Niedermayer, C.; Pomjakushin, V.; Bianchi, A. D.; Kenzelmann, M.
2017-04-01
Magnetic frustration and low dimensionality can prevent long-range magnetic order and lead to exotic correlated ground states. SrDy2O4 consists of magnetic Dy3 + ions forming magnetically frustrated zigzag chains along the c axis and shows no long-range order to temperatures as low as T =60 mK. We carried out neutron scattering and ac magnetic susceptibility measurements using powder and single crystals of SrDy2O4 . Diffuse neutron scattering indicates strong one-dimensional (1D) magnetic correlations along the chain direction that can be qualitatively accounted for by the axial next-nearest-neighbor Ising model with nearest-neighbor and next-nearest-neighbor exchange J1=0.3 meV and J2=0.2 meV, respectively. Three-dimensional (3D) correlations become important below T*≈0.7 K. At T =60 mK, the short-range correlations are characterized by a putative propagation vector k1 /2=(0 ,1/2 ,1/2 ) . We argue that the absence of long-range order arises from the presence of slowly decaying 1D domain walls that are trapped due to 3D correlations. This stabilizes a low-temperature phase without long-range magnetic order, but with well-ordered chain segments separated by slowly moving domain walls.
Topological order and thermal equilibrium in polariton condensates
NASA Astrophysics Data System (ADS)
Caputo, Davide; Ballarini, Dario; Dagvadorj, Galbadrakh; Sánchez Muñoz, Carlos; de Giorgi, Milena; Dominici, Lorenzo; West, Kenneth; Pfeiffer, Loren N.; Gigli, Giuseppe; Laussy, Fabrice P.; Szymańska, Marzena H.; Sanvitto, Daniele
2018-02-01
The Berezinskii-Kosterlitz-Thouless phase transition from a disordered to a quasi-ordered state, mediated by the proliferation of topological defects in two dimensions, governs seemingly remote physical systems ranging from liquid helium, ultracold atoms and superconducting thin films to ensembles of spins. Here we observe such a transition in a short-lived gas of exciton-polaritons, bosonic light-matter particles in semiconductor microcavities. The observed quasi-ordered phase, characteristic for an equilibrium two-dimensional bosonic gas, with a decay of coherence in both spatial and temporal domains with the same algebraic exponent, is reproduced with numerical solutions of stochastic dynamics, proving that the mechanism of pairing of the topological defects (vortices) is responsible for the transition to the algebraic order. This is made possible thanks to long polariton lifetimes in high-quality samples and in a reservoir-free region. Our results show that the joint measurement of coherence both in space and time is required to characterize driven-dissipative phase transitions and enable the investigation of topological ordering in open systems.
Target recognition of ladar range images using even-order Zernike moments.
Liu, Zheng-Jun; Li, Qi; Xia, Zhi-Wei; Wang, Qi
2012-11-01
Ladar range images have attracted considerable attention in automatic target recognition fields. In this paper, Zernike moments (ZMs) are applied to classify the target of the range image from an arbitrary azimuth angle. However, ZMs suffer from high computational costs. To improve the performance of target recognition based on small samples, even-order ZMs with serial-parallel backpropagation neural networks (BPNNs) are applied to recognize the target of the range image. It is found that the rotation invariance and classified performance of the even-order ZMs are both better than for odd-order moments and for moments compressed by principal component analysis. The experimental results demonstrate that combining the even-order ZMs with serial-parallel BPNNs can significantly improve the recognition rate for small samples.
Short-range contacts govern the performance of industry-relevant battery cathodes
NASA Astrophysics Data System (ADS)
Morelly, Samantha L.; Alvarez, Nicolas J.; Tang, Maureen H.
2018-05-01
Fundamental understanding of how processing affects composite battery electrode structure and performance is still lacking, especially for industry-relevant electrodes with low fractions of inactive material. This work combines rheology, electronic conductivity measurements, and battery rate capability tests to prove that short-range electronic contacts are more important to cathode rate capability than either ion transport or long-range electronic conductivity. LiNi0.33Mn0.33Co0.33O2, carbon black, and polyvinylidene difluoride in 1-methyl-2-pyrrolidinone represent a typical commercial electrode with <5.5 wt% inactive material. Dry-mixing carbon black with active material decreases the relative fraction of bulk (free) carbon, as shown by small angle oscillatory shear and microscopy. More free carbon leads to a stronger gel network (more long-range particle contacts) and higher electronic conductivity of the dried films. Improvements in battery rate capability at constant electrode porosity do not correlate to electronic conductivity, but rather show an optimum fraction of free carbon. Simple comparison of rate capability in electrodes with increased total carbon loading (3 wt%) shows improvement for all fractions of free carbon. These results clearly indicate that ion transport cannot be limiting and highlight the critical importance of short-range electronic contacts for controlling battery performance.
Narumi, Takayuki; Tokuyama, Michio
2017-03-01
For short-range attractive colloids, the phase diagram of the kinetic glass transition is studied by time-convolutionless mode-coupling theory (TMCT). Using numerical calculations, TMCT is shown to recover all the remarkable features predicted by the mode-coupling theory for attractive colloids: the glass-liquid-glass reentrant, the glass-glass transition, and the higher-order singularities. It is also demonstrated through the comparisons with the results of molecular dynamics for the binary attractive colloids that TMCT improves the critical values of the volume fraction. In addition, a schematic model of three control parameters is investigated analytically. It is thus confirmed that TMCT can describe the glass-glass transition and higher-order singularities even in such a schematic model.
NASA Astrophysics Data System (ADS)
Zou, M.; Pecharsky, V. K.; Gschneidner, K. A., Jr.; Schlagel, D. L.; Lograsso, T. A.
2008-07-01
Magnetic phase transitions in a Tb5Si2.2Ge1.8 single crystal have been studied as a function of temperature and magnetic field. Magnetic-field dependencies of the critical temperatures are highly anisotropic for both the main magnetic ordering process occurring around 120 K and a spin reorientation transition at ˜70K . Magnetic-field-induced phase transitions occur with the magnetic field applied isothermally along the a and b axes (but not along the c axis) between 1.8 and 70 K in fields below 70 kOe. Strong anisotropic thermal irreversibility is observed in the Griffiths phase regime between 120 and 200 K with applied fields ranging from 10 to 1000 Oe. Our data (1) show that the magnetic and structural phase transitions around 120 K are narrowly decoupled; (2) uncover the anisotropy of ferromagnetic short-range order in the Griffiths phase; and (3) reveal some unusual magnetic domain effects in the long-range ordered state of the Tb5Si2.2Ge1.8 compound. The temperature-magnetic field phase diagrams with field applied along the three major crystallographic directions have been constructed.
Weak ferromagnetism and short range polar order in NaMnF3 thin films
NASA Astrophysics Data System (ADS)
KC, Amit; Borisov, Pavel; Shvartsman, Vladimir V.; Lederman, David
2017-02-01
The orthorhombically distorted perovskite NaMnF3 has been predicted to become ferroelectric if an a = c distortion of the bulk Pnma structure is imposed. In order to test this prediction, NaMnF3 thin films were grown on SrTiO3 (001) single crystal substrates via molecular beam epitaxy. The best films were smooth and single phase with four different twin domains. In-plane magnetization measurements revealed the presence of antiferromagnetic ordering with weak ferromagnetism below the Néel temperature TN = 66 K. For the dielectric studies, NaMnF3 films were grown on a 30 nm SrRuO3 (001) layer used as a bottom electrode grown via pulsed laser deposition. The complex permittivity as a function of frequency indicated a strong Debye-like relaxation contribution characterized by a distribution of relaxation times. A power-law divergence of the characteristic relaxation time revealed an order-disorder phase transition at 8 K. The slow relaxation dynamics indicated the formation of super-dipoles (superparaelectric moments) that extend over several unit cells, similar to polar nanoregions of relaxor ferroelectrics.
Homodyne detection of short-range Doppler radar using a forced oscillator model
NASA Astrophysics Data System (ADS)
Kittipute, Kunanon; Saratayon, Peerayudh; Srisook, Suthasin; Wardkein, Paramote
2017-03-01
This article presents the homodyne detection in a self-oscillation system, which represented by a short-range radar (SRR) circuit, that is analysed using a multi-time forced oscillator (MTFO) model. The MTFO model is based on a forced oscillation perspective with the signal and system theory, a second-order differential equation, and the multiple time variable technique. This model can also apply to analyse the homodyne phenomenon in a difference kind of the oscillation system under same method such as the self-oscillation system, and the natural oscillation system with external forced. In a free oscillation system, which forced by the external source is represented by a pendulum with an oscillating support experiment, and a modified Colpitts oscillator circuit in the UHF band with input as a Doppler signal is a representative of self-oscillation system. The MTFO model is verified with the experimental result, which well in line with the theoretical analysis.
Homodyne detection of short-range Doppler radar using a forced oscillator model
Kittipute, Kunanon; Saratayon, Peerayudh; Srisook, Suthasin; Wardkein, Paramote
2017-01-01
This article presents the homodyne detection in a self-oscillation system, which represented by a short-range radar (SRR) circuit, that is analysed using a multi-time forced oscillator (MTFO) model. The MTFO model is based on a forced oscillation perspective with the signal and system theory, a second-order differential equation, and the multiple time variable technique. This model can also apply to analyse the homodyne phenomenon in a difference kind of the oscillation system under same method such as the self-oscillation system, and the natural oscillation system with external forced. In a free oscillation system, which forced by the external source is represented by a pendulum with an oscillating support experiment, and a modified Colpitts oscillator circuit in the UHF band with input as a Doppler signal is a representative of self-oscillation system. The MTFO model is verified with the experimental result, which well in line with the theoretical analysis. PMID:28252000
DOE Office of Scientific and Technical Information (OSTI.GOV)
Werhahn, Jasper C.; Miliordos, Evangelos; Xantheas, Sotiris S.
2015-01-05
We introduce new generalized (reverting to the original) and extended (not reverting to the original) 4-parameter forms of the (B-2) Potential Energy Function (PEF) of Wang etal. (L.-P. Wang, J. Chen and T. van Voorhis, J. Chem. Theor. Comp. 9, 452 (2013)), which is itself a modification of the Buckingham exponential-6 PEF. The new forms have a tunable, singularity-free short-range repulsion and an adjustable long-range attraction. They produce fits to high quality ab initio data for the X–(H2O), X=F, Cl, Br, I and M+(H2O), M=Li, Na, K, Rb, Cs dimers that are between 1 and 2 orders of magnitude bettermore » than the original 3-parameter (B-2) and modified Buckingham exponential-6 PEFs. They are also slightly better than the 4-parameter generalized Buckingham exponential-6(gBe-6) and of comparable quality with the 4-parameter extended Morse (eM) PEFs introduced recently by us.« less
Short range structure of 0.35Sb2O3-0.65(Li2O-P2O5) glass: A neutron diffraction study
NASA Astrophysics Data System (ADS)
Shinde, A. B.; Krishna, P. S. R.
2018-04-01
Neutron diffraction studies on Li2O-P2O5 and 0.35Sb2O3-0.65(Li2O-P2O5) glass are performed up to a Qmax of 15 Å-1 on the High-Q diffractometer, Dhruva. MCGR method is used to find pair correlation functions (g(r)) functions from experimentally obtained S(Q). We found that the Li-O and first Sb-O correlations to be around 2.04 Å & 2.15 Å. The O-O correlation from Phosphate & Antimony networks are found to be around 2.7 Å. The short range order of Sb is similar to its crystalline polymorph of valentinite instead of senarmonite. The short range order and network connectivity in this glass implies a structure composed of chains of corner sharing SbO3 pyramidal units connected to PO4 tetrahedra while Li acts as a modifier.
ERIC Educational Resources Information Center
Bavelier, Daphne; Newport, Elissa L.; Hall, Matt; Supalla, Ted; Boutla, Mrim
2008-01-01
Capacity limits in linguistic short-term memory (STM) are typically measured with forward span tasks in which participants are asked to recall lists of words in the order presented. Using such tasks, native signers of American Sign Language (ASL) exhibit smaller spans than native speakers ([Boutla, M., Supalla, T., Newport, E. L., & Bavelier, D.…
Local structure order in Pd 78Cu 6Si 16 liquid
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yue, G. Q.; Zhang, Y.; Sun, Y.
2015-02-05
The short-range order (SRO) in Pd 78Cu 6Si 16 liquid was studied by high energy x-ray diffraction and ab initio molecular dynamics (MD) simulations. The calculated pair correlation functions at different temperatures agree well with the experimental results. The partial pair correlation functions from ab intio MD simulations indicate that Si atoms prefer to be uniformly distributed while Cu atoms tend to aggregate. By performing structure analysis using Honeycutt-Andersen index, Voronoi tessellation, and atomic cluster alignment method, we show that the icosahedron and face-centered cubic SRO increase upon cooling. The dominant SRO is the Pd-centered Pd 9Si 2 motif, namelymore » the structure of which motif is similar to the structure of Pd-centered clusters in the Pd 9Si 2 crystal. The study further confirms the existence of trigonal prism capped with three half-octahedra that is reported as a structural unit in Pd-based amorphous alloys. The majority of Cu-centered clusters are icosahedra, suggesting that the presence of Cu is benefit to promote the glass forming ability.« less
Order recall in verbal short-term memory: The role of semantic networks.
Poirier, Marie; Saint-Aubin, Jean; Mair, Ali; Tehan, Gerry; Tolan, Anne
2015-04-01
In their recent article, Acheson, MacDonald, and Postle (Journal of Experimental Psychology: Learning, Memory, and Cognition 37:44-59, 2011) made an important but controversial suggestion: They hypothesized that (a) semantic information has an effect on order information in short-term memory (STM) and (b) order recall in STM is based on the level of activation of items within the relevant lexico-semantic long-term memory (LTM) network. However, verbal STM research has typically led to the conclusion that factors such as semantic category have a large effect on the number of correctly recalled items, but little or no impact on order recall (Poirier & Saint-Aubin, Quarterly Journal of Experimental Psychology 48A:384-404, 1995; Saint-Aubin, Ouellette, & Poirier, Psychonomic Bulletin & Review 12:171-177, 2005; Tse, Memory 17:874-891, 2009). Moreover, most formal models of short-term order memory currently suggest a separate mechanism for order coding-that is, one that is separate from item representation and not associated with LTM lexico-semantic networks. Both of the experiments reported here tested the predictions that we derived from Acheson et al. The findings show that, as predicted, manipulations aiming to affect the activation of item representations significantly impacted order memory.
Yan, Yangqian; Blume, D
2016-06-10
The unitary equal-mass Fermi gas with zero-range interactions constitutes a paradigmatic model system that is relevant to atomic, condensed matter, nuclear, particle, and astrophysics. This work determines the fourth-order virial coefficient b_{4} of such a strongly interacting Fermi gas using a customized ab initio path-integral Monte Carlo (PIMC) algorithm. In contrast to earlier theoretical results, which disagreed on the sign and magnitude of b_{4}, our b_{4} agrees within error bars with the experimentally determined value, thereby resolving an ongoing literature debate. Utilizing a trap regulator, our PIMC approach determines the fourth-order virial coefficient by directly sampling the partition function. An on-the-fly antisymmetrization avoids the Thomas collapse and, combined with the use of the exact two-body zero-range propagator, establishes an efficient general means to treat small Fermi systems with zero-range interactions.
Diffuse scattering measurements of static atomic displacements in crystalline binary solid solutions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ice, G.E.; Sparks, C.J.; Jiang, X.
1997-09-01
Diffuse x-ray scattering from crystalline solid solutions is sensitive to both local chemical order and local bond distances. In short-range ordered alloys, fluctuations of chemistry and bond distances break the long-range symmetry of the crystal within a local region and contribute to the total energy of the alloy. Recent use of tunable synchrotron radiation to change the x-ray scattering contrast between elements has greatly advanced the measurement of bond distances between the three kinds of atom pairs found in crystalline binary alloys. The estimated standard deviation on these recovered static displacements approaches {+-}0.001 {angstrom} (0.0001 nm) which is an ordermore » of magnitude more precise than obtained with EXAFS. In addition, both the radial and tangential displacements can be recovered to five near neighbors and beyond. These static displacement measurements provide new information which challenges the most advanced theoretical models of binary crystalline alloys. 29 refs., 8 figs., 2 tabs.« less
Atomic scale study of nanocontacts
NASA Astrophysics Data System (ADS)
Buldum, A.; Ciraci, S.; Batra, Inder P.; Fong, C. Y.
1998-03-01
Nanocontact and subsequent pulling off a sharp Ni(111) tip on a Cu(110) surface are investigated by using molecular dynamics method with embedded atom model. As the contact is formed, the sharp tip experiences multiple jump to contact in the attractive force range. The contact interface develops discontinuously mainly due to disorder-order transformations which lead to disappearance of a layer and hence abrupt changes in the normal force variation. Atom exchange occurs in the repulsive range. The connective neck is reduced also discontinuously by pulling off the tip. The novel atomic structure of the neck under the tensile force is analyzed. We also presented a comperative study for the contact by a Si(111) tip on Si(111)-(2x1) surface.
Norman, Joseph; Hock, Howard; Schöner, Gregor
2014-07-01
It has long been thought (e.g., Cavanagh & Mather, 1989) that first-order motion-energy extraction via space-time comparator-type models (e.g., the elaborated Reichardt detector) is sufficient to account for human performance in the short-range motion paradigm (Braddick, 1974), including the perception of reverse-phi motion when the luminance polarity of the visual elements is inverted during successive frames. Human observers' ability to discriminate motion direction and use coherent motion information to segregate a region of a random cinematogram and determine its shape was tested; they performed better in the same-, as compared with the inverted-, polarity condition. Computational analyses of short-range motion perception based on the elaborated Reichardt motion energy detector (van Santen & Sperling, 1985) predict, incorrectly, that symmetrical results will be obtained for the same- and inverted-polarity conditions. In contrast, the counterchange detector (Hock, Schöner, & Gilroy, 2009) predicts an asymmetry quite similar to that of human observers in both motion direction and shape discrimination. The further advantage of counterchange, as compared with motion energy, detection for the perception of spatial shape- and depth-from-motion is discussed.
Short range spread-spectrum radiolocation system and method
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.
Weak ferromagnetism and short range polar order in NaMnF3 thin films
NASA Astrophysics Data System (ADS)
Kc, Amit; Borisov, Pavel; Shvartsman, Vladimir; Lederman, David
The orthorhombically distorted perovskite NaMnF3 has been predicted to become ferroelectric if an a = c distortion of the bulk Pnma structure is imposed. In order to test this prediction, NaMnF3 thin films were grown on SrTiO3 (100) single crystal substrates via molecular beam epitaxy. The best films were smooth and single phase with four different twin domains. In-plane magnetization measurements revealed the presence of antiferromagnetic ordering with weak ferromagnetism below the Néel temperature TN = 66 K. For the dielectric studies, NaMnF3 films were grown on a 30 nm SrRuO3 (100) layer used as a bottom electrode grown via pulsed laser deposition. The complex permittivity as a function of frequency indicated a strong Debye-like relaxation contribution characterized by a distribution of relaxation times. A power-law divergence of the characteristic relaxation time revealed an order-disorder phase transition at 8 K. The slow relaxation dynamics indicated the formation of super-dipoles (superparaelectric moments) that extend over several unit cells, similar to polar nanoregions of relaxor ferroelectrics. This work was supported by the National Science Foundation (Grant 1434897) and the WVU Shared Research Facilities at West Virginia University.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Soyer-Uzun, S.; Benmore, C. J.; Siewenie, J. E.
2010-01-01
The experimental neutron and x-ray diffraction data for stoichiometric and S-deficient Ge{sub x}As{sub x}S{sub 100-2x} glasses with x = 18.2, 25.0, and 33.3 at.% have been modeled simultaneously using the reverse Monte Carlo (RMC) technique. Nearest-neighbor coordination environments, as obtained in previous x-ray absorption spectroscopy and diffraction experiments, have been employed as short-range order constraints in these simulations. The large scale three-dimensional structural models thus obtained from RMC simulation are used to investigate the nature and compositional evolution of intermediate-range structural order in these ternary glasses. The intermediate-range structural order is controlled by (1) a corner-shared three-dimensional network of AsS{submore » 3} pyramids and GeS{sub 4} tetrahedra in the stoichiometric Ge{sub 18.2}As{sub 18.2}S{sub 63.6} glass, (2) a heterogeneous structure that consists of homopolar bonded As-rich regions coexisting with a GeS{sub 2} network in the S-deficient Ge{sub 25}As{sub 25}S{sub 50} glass, and (3) a homogeneous structure resulting from the disruption of the topological continuity of the GeS{sub 2} network and As-rich clusters regions due to the formation of Ge-As bonds in the most S-deficient Ge{sub 33.3}As{sub 33.3}S{sub 33.3} glass. This scenario of the compositional evolution of intermediate-range structural order is consistent with and provides an atomistic explanation of the corresponding evolution in the position, width and intensity of the first sharp diffraction peak and the magnitude of small angle scattering in these glasses.« less
Wachtel, E; Bach, D; Miller, I R
2013-01-01
Using differential scanning calorimetry and small and wide angle X-ray diffraction, we show that, following extended incubation at room temperature, methanol, propanol, and three of the isomers of butanol can induce ordering in dipalmitoyl phosphatidylserine (DPPS) gel phase bilayers. The organization of the bilayers in the presence of ethanol, described previously, is now observed to be a general effect of short chain alcohols. Evidence is presented for tilting of the acyl chains with respect to the bilayer normal in the presence of ethanol or propanol. However, the different chain lengths of the alcohols, and isomeric form, influence the thermal stability of the ordered gel to different extents. This behavior is unlike that of the gel state phosphatidylcholine analog which, in the presence of short chain alcohols, undergoes hydrocarbon chain interdigitation. Dipalmitoyl phosphatidylcholine added to DPPS in the presence of 20 vol% ethanol, acts to suppress the ordered gel phase. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.
Enhancing light-atom interactions via atomic bunching
NASA Astrophysics Data System (ADS)
Schmittberger, Bonnie L.; Gauthier, Daniel J.
2014-07-01
There is a broad interest in enhancing the strength of light-atom interactions to the point where injecting a single photon induces a nonlinear material response. Here we show theoretically that sub-Doppler-cooled two-level atoms that are spatially organized by weak optical fields give rise to a nonlinear material response that is greatly enhanced beyond that attainable in a homogeneous gas. Specifically, in the regime where the intensity of the applied optical fields is much less than the off-resonance saturation intensity, we show that the third-order nonlinear susceptibility scales inversely with atomic temperature and, due to this scaling, can be two orders of magnitude larger than that of a homogeneous gas for typical experimental parameters. As a result, we predict that spatially bunched two-level atoms can exhibit single-photon nonlinearities. Our model is valid for all regimes of atomic bunching and simultaneously accounts for the backaction of the atoms on the optical fields. Our results agree with previous theoretical and experimental results for light-atom interactions that have considered only limited regimes of atomic bunching. For lattice beams tuned to the low-frequency side of the atomic transition, we find that the nonlinearity transitions from a self-focusing type to a self-defocusing type at a critical intensity. We also show that higher than third-order nonlinear optical susceptibilities are significant in the regime where the dipole potential energy is on the order of the atomic thermal energy. We therefore find that it is crucial to retain high-order nonlinearities to accurately predict interactions of laser fields with spatially organized ultracold atoms. The model presented here is a foundation for modeling low-light-level nonlinear optical processes for ultracold atoms in optical lattices.
Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias
2015-08-26
The aim of our study is to characterize some atomic-scale properties of Ni-based FCC multicomponent alloys. For this purpose, we use Monte Carlo method combined with density functional theory calculations to study short-range order (SRO), atomic displacements, electronic density of states, and magnetic moments in equimolar ternary NiCrCo, and quaternary NiCrCoFe alloys. The salient features for the ternary alloy are a negative SRO parameter between Ni Cr and a positive between Cr Cr pairs as well as a weakly magnetic state. For the quaternary alloy we predict negative SRO parameter for Ni Cr and Ni Fe pairs and positive formore » Cr Cr and Fe Fe pairs. Atomic displacements for both ternary and quaternary alloys are negligible. In contrast to the ternary, the quaternary alloy shows a complex magnetic structure. The electronic structure of the ternary and quaternary alloys shows differences near the Fermi energy between a random solid solution and the predicted structure with SRO. Despite that, the calculated EXAFS spectra does not show enough contrast to discriminate between random and ordered structures. Finally, the predicted SRO has an impact on point-defect energetics, electron phonon coupling and thermodynamic functions and thus, SRO should not be neglected when studying properties of these two alloys.« less
NASA Astrophysics Data System (ADS)
Pakhira, Santanu; Mazumdar, Chandan; Ranganathan, R.
2017-12-01
In this work, we report the successful synthesis of a new intermetallic compound Tm2 Ni0.93 Si2.93 that forms in single phase only in defect crystal structure. The compound does not show any long range magnetic ordering down to 2 K. The material exhibits a large magnetic entropy change (-Δ S_M˜13.7 J kg-1 K-1) and adiabatic temperature change (Δ T_ad˜4.4 K) at 2.2 K for a field change of 20 kOe which can be realized by permanent magnets, thus being very beneficial for application purpose. In the absence of long-range magnetic ordering down to 2 K, the metastable nature of low-temperature spin dynamics and short-range magnetic correlations are considered to be responsible for such a large magnetocaloric effect over a wide temperature region.
Progress and Challenges in Short to Medium Range Coupled Prediction
NASA Technical Reports Server (NTRS)
Brassington, G. B.; Martin, M. J.; Tolman, H. L.; Akella, Santha; Balmeseda, M.; Chambers, C. R. S.; Cummings, J. A.; Drillet, Y.; Jansen, P. A. E. M.; Laloyaux, P.;
2014-01-01
The availability of GODAE Oceanview-type ocean forecast systems provides the opportunity to develop high-resolution, short- to medium-range coupled prediction systems. Several groups have undertaken the first experiments based on relatively unsophisticated approaches. Progress is being driven at the institutional level targeting a range of applications that represent their respective national interests with clear overlaps and opportunities for information exchange and collaboration. These include general circulation, hurricanes, extra-tropical storms, high-latitude weather and sea-ice forecasting as well as coastal air-sea interaction. In some cases, research has moved beyond case and sensitivity studies to controlled experiments to obtain statistically significant metrics.
Management challenges in a short-range low-velocity gunshot injury.
Arunkumar, K V; Kumar, Sanjeev; Aggarwal, Rajat; Dubey, Prajesh
2012-07-01
The use of firearms is becoming more prevalent in the society and hence the number of homicidal and suicidal cases. The severity of gunshot wounds varies depending on the weapons caliber and the distance of firing. Close-range, high-velocity gunshot wounds in the head and neck region can result in devastating esthetic and functional impairment. The complexity in facial skeletal anatomy cause multiple medical and surgical challenges to an operating surgeon, demanding elaborate soft and hard tissue reconstructions. Here we present the successful management of a patient shot by a low-velocity short-range pistol with basic life support measures, wound management, reconstruction, and rehabilitation.
Order and Disorder in Short Block Polymers
NASA Astrophysics Data System (ADS)
Bates, Frank S.
2015-03-01
Block polymers have captivated the interest of scientists and engineers for more than half a century. The phase behavior of this class of self-assembling soft material is well understood in the limit of infinite molecular weight, based on the self-consistent mean-field theory pioneered by Leibler. At practical molecular sizes, typically around N ~ 1000 repeat units, fluctuation effects become highly significant in the vicinity of the order disorder transition. One-loop corrections to mean-field theory, first described by Brazovski and applied to block polymers by Fredrickson and Helfand, are not expected to be applicable in this limit. Moreover, the drive towards ever smaller domain dimensions, and the opportunity to circumvent transport limitations associated with entanglements, have motivated experiments with yet lower molecular weight block polymers, N less than 100. This presentation will describe the consequences of fluctuations and the equilibrium structural properties of short model AB diblock polymers in the symmetric (f = 1/2) and asymmetric (f --> 0) regimes above and below the order-disorder transition. The consequences of fluctuations and access to equilibrium states will be described in the 1-dimensional stripped (lamellar) phase and the ordering of point particles in 3-dimensions, respectively. As N --> 1 computer simulation with realistic molecular detail becomes feasible presenting exciting opportunities to compliment the associated theoretical challenges. Research in collaboration with Sangwoo Lee, Chris Leighton and Timothy Gillard and Supported by NSF-DMR-1104368.
Age differences in visual search for compound patterns: long- versus short-range grouping.
Burack, J A; Enns, J T; Iarocci, G; Randolph, B
2000-11-01
Visual search for compound patterns was examined in observers aged 6, 8, 10, and 22 years. The main question was whether age-related improvement in search rate (response time slope over number of items) was different for patterns defined by short- versus long-range spatial relations. Perceptual access to each type of relation was varied by using elements of same contrast (easy to access) or mixed contrast (hard to access). The results showed large improvements with age in search rate for long-range targets; search rate for short-range targets was fairly constant across age. This pattern held regardless of whether perceptual access to a target was easy or hard, supporting the hypothesis that different processes are involved in perceptual grouping at these two levels. The results also point to important links between ontogenic and microgenic change in perception (H. Werner, 1948, 1957).
Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water
NASA Astrophysics Data System (ADS)
Reinhardt, Aleks; Doye, Jonathan P. K.; Noya, Eva G.; Vega, Carlos
2012-11-01
We present a local order parameter based on the standard Steinhardt-Ten Wolde approach that is capable both of tracking and of driving homogeneous ice nucleation in simulations of all-atom models of water. We demonstrate that it is capable of forcing the growth of ice nuclei in supercooled liquid water simulated using the TIP4P/2005 model using over-biassed umbrella sampling Monte Carlo simulations. However, even with such an order parameter, the dynamics of ice growth in deeply supercooled liquid water in all-atom models of water are shown to be very slow, and so the computation of free energy landscapes and nucleation rates remains extremely challenging.
Two-dimensional quasistatic stationary short range surface plasmons in flat nanoprisms.
Nelayah, J; Kociak, M; Stéphan, O; Geuquet, N; Henrard, L; García de Abajo, F J; Pastoriza-Santos, I; Liz-Marzán, L M; Colliex, C
2010-03-10
We report on the nanometer scale spectral imaging of surface plasmons within individual silver triangular nanoprisms by electron energy loss spectroscopy and on related discrete dipole approximation simulations. A dependence of the energy and intensity of the three detected modes as function of the edge length is clearly identified both experimentally and with simulations. We show that for experimentally available prisms (edge lengths ca. 70 to 300 nm) the energies and intensities of the different modes show a monotonic dependence as function of the aspect ratio of the prisms. For shorter or longer prisms, deviations to this behavior are identified thanks to simulations. These modes have symmetric charge distribution and result from the strong coupling of the upper and lower triangular surfaces. They also form a standing wave in the in-plane direction and are identified as quasistatic short range surface plasmons of different orders as emphasized within a continuum dielectric model. This model explains in simple terms the measured and simulated energy and intensity changes as function of geometric parameters. By providing a unified vision of surface plasmons in platelets, such a model should be useful for engineering of the optical properties of metallic nanoplatelets.
Short-range quantitative precipitation forecasting using Deep Learning approaches
NASA Astrophysics Data System (ADS)
Akbari Asanjan, A.; Yang, T.; Gao, X.; Hsu, K. L.; Sorooshian, S.
2017-12-01
Predicting short-range quantitative precipitation is very important for flood forecasting, early flood warning and other hydrometeorological purposes. This study aims to improve the precipitation forecasting skills using a recently developed and advanced machine learning technique named Long Short-Term Memory (LSTM). The proposed LSTM learns the changing patterns of clouds from Cloud-Top Brightness Temperature (CTBT) images, retrieved from the infrared channel of Geostationary Operational Environmental Satellite (GOES), using a sophisticated and effective learning method. After learning the dynamics of clouds, the LSTM model predicts the upcoming rainy CTBT events. The proposed model is then merged with a precipitation estimation algorithm termed Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks (PERSIANN) to provide precipitation forecasts. The results of merged LSTM with PERSIANN are compared to the results of an Elman-type Recurrent Neural Network (RNN) merged with PERSIANN and Final Analysis of Global Forecast System model over the states of Oklahoma, Florida and Oregon. The performance of each model is investigated during 3 storm events each located over one of the study regions. The results indicate the outperformance of merged LSTM forecasts comparing to the numerical and statistical baselines in terms of Probability of Detection (POD), False Alarm Ratio (FAR), Critical Success Index (CSI), RMSE and correlation coefficient especially in convective systems. The proposed method shows superior capabilities in short-term forecasting over compared methods.
Polarizability of Rydberg atoms and the dominant long-range interactions
NASA Astrophysics Data System (ADS)
Hahn, Yukap
2000-10-01
The dominant long-range interaction of an alkali-metal atom with charged particles at low energies is given for large separation R by the dispersive potential W~=-αd/R4 in terms of the dipole polarizability αd. For atoms prepared initially in Rydberg states of quantum numbers (n, l), the potential assumes a more complicated form due to the complete or near degeneracy of the n manifold. Contributions to the polarizability are treated in two parts, (a) one for the nondegenerate states and (b) the other for the degenerate or near degenerate cases. It is shown that α~(b)d for case (b) is in general R dependent, and in the limit of complete degeneracy, diverges as R2. That is, for a small energy gap Δ between a pair of nearly degenerate states which are dipole coupled, the dispersion potential W(b)~=D/R2 for R
Theoretical study of (e, 2e) process of atomic and molecular targets*
NASA Astrophysics Data System (ADS)
Houamer, Salim; Chinoune, Mehdi; Cappello, Claude Dal
2017-01-01
Triple differential ionization cross sections (TDCSs) by electron impact are calculated for some atomic and molecular targets by using several models where Post Collisional Interaction (PCI) is taken in account. We also investigate the effect of the short range potential and describe the ejected electron either by a Coulomb wave or by a distorted wave. Significant differences are observed between these models. A better agreement with experimental data is achieved when the short range potential and distortion effects are included.
Demonstration of micro-projection enabled short-range communication system for 5G.
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.
Atom probe study of B2 order and A2 disorder of the FeCo matrix in an Fe-Co-Mo-alloy.
Turk, C; Leitner, H; Schemmel, I; Clemens, H; Primig, S
2017-07-01
The physical and mechanical properties of intermetallic alloys can be tailored by controlling the degree of order of the solid solution by means of heat treatments. FeCo alloys with an appropriate composition exhibit an A2-disorder↔B2-order transition during continuous cooling from the disordered bcc region. The study of atomic order in intermetallic alloys by diffraction and its influence on the material properties is well established, however, investigating magnetic FeCo-based alloys by conventional methods such as X-ray diffraction is quite challenging. Thus, the imaging of ordered FeCo-nanostructures needs to be done with high resolution techniques. Transmission electron microscopy investigations of ordered FeCo domains are difficult, due to the chemical and physical similarity of Fe and Co atoms and the ferromagnetism of the samples. In this work it will be demonstrated, that the local atomic arrangement of ordered and disordered regions in an industrial Fe-Co-Mo alloy can be successfully imaged by atom probe measurements supported by field ion microscopy and transmission Kikuchi diffraction. Furthermore, a thorough atom probe parameter study will be presented and field evaporation artefacts as a function of crystallographic orientation in Fe-Co-samples will be discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.
Federal Register 2010, 2011, 2012, 2013, 2014
2012-06-18
... Atomic Electric Company, Yankee Nuclear Power Station, Confirmatory Order Modifying License (Effective... of 10 CFR part 72, Subpart K at the Yankee Nuclear Power Station. The facility is located at the... Facility Operating License for Yankee Nuclear Power Station must be modified to include provisions with...
Short-Range Noncontact Sensors for Healthcare and Other Emerging Applications: A Review
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
Ultracold collisions between Rb atoms and a Sr+ ion
NASA Astrophysics Data System (ADS)
Meir, Ziv; Sikorsky, Tomas; Ben-Shlomi, Ruti; Dallal, Yehonatan; Ozeri, Roee
2015-05-01
In last decade, a novel field emerged, in which ultracold atoms and ions in overlapping traps are brought into interaction. In contrast to the short ranged atom-atom interaction which scales as r-6, atom-ion potential persists for hundreds of μm's due to its lower power-law scaling - r-4. Inelastic collisions between the consistuents lead to spin and charge transfer and also to molecule formation. Elastic collisions control the energy transfer between the ion and the atoms. The study of collisions at the μK range has thus far been impeded by the effect of the ion's micromotion which limited collision energy to mK scale. Unraveling this limit will allow to investigate few partial wave and even S-wave collisions. Our system is capable of trapping Sr+ ions and Rb and Sr atoms and cooling them to their quantum ground state. Atoms and ions are trapped and cooled in separate chambers. Then, the atoms are transported using an optical conveyer belt to overlap the ions. In contrast to other experiments in this field where the atoms are used to sympathetic cool the ion, our system is also capable of ground state cooling the ion before immersing it into the atom cloud. By this method, we would be able to explore heating and cooling dynamics in the ultracold regime.
Concreteness effects in short-term memory: a test of the item-order hypothesis.
Roche, Jaclynn; Tolan, G Anne; Tehan, Gerald
2011-12-01
The following experiments explore word length and concreteness effects in short-term memory within an item-order processing framework. This framework asserts order memory is better for those items that are relatively easy to process at the item level. However, words that are difficult to process benefit at the item level for increased attention/resources being applied. The prediction of the model is that differential item and order processing can be detected in episodic tasks that differ in the degree to which item or order memory are required by the task. The item-order account has been applied to the word length effect such that there is a short word advantage in serial recall but a long word advantage in item recognition. The current experiment considered the possibility that concreteness effects might be explained within the same framework. In two experiments, word length (Experiment 1) and concreteness (Experiment 2) are examined using forward serial recall, backward serial recall, and item recognition. These results for word length replicate previous studies showing the dissociation in item and order tasks. The same was not true for the concreteness effect. In all three tasks concrete words were better remembered than abstract words. The concreteness effect cannot be explained in terms of an item-order trade off. PsycINFO Database Record (c) 2011 APA, all rights reserved.
Short-arc orbit determination using coherent X-band ranging data
NASA Technical Reports Server (NTRS)
Thurman, S. W.; Mcelrath, T. P.; Pollmeier, V. M.
1992-01-01
The use of X-band frequencies in ground-spacecraft and spacecraft-ground telecommunication links for current and future robotic interplanetary missions makes it possible to perform ranging measurements of greater accuracy than previously obtained. It is shown that ranging data of sufficient accuracy, when acquired from multiple stations, can sense the geocentric angular position of a distant spacecraft. The application of high-accuracy S/X-band and X-band ranging to orbit determination with relatively short data arcs is investigated in planetary approach and encounter scenarios. Actual trajectory solutions for the Ulysses spacecraft constructed from S/X-band ranging and Doppler data are presented; error covariance calculations are used to predict the performance of X-band ranging and Doppler data. The Ulysses trajectory solutions indicate that the aim point for the spacecraft's February 1992 Jupiter encounter was predicted to a geocentric accuracy of 0.20 to 0.23/microrad. Explicit modeling of range bias parameters for each station pass is shown to largely remove systematic ground system calibration errors and transmission media effects from the Ulysses range measurements, which would otherwise corrupt the angle finding capabilities of the data. The Ulysses solutions were found to be reasonably consistent with the theoretical results, which suggest that angular accuracies of 0.08 to 0.1/microrad are achievable with X-band ranging.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jursenas, Rytis, E-mail: Rytis.Jursenas@tfai.vu.l; Merkelis, Gintaras
2011-01-15
General expressions for the second-order effective atomic Hamiltonian are derived for open-subshell atoms in jj-coupling. The expansion terms are presented as N-body (N=0,1,2,3) effective operators given in the second quantization representation in coupled tensorial form. Two alternative coupled tensorial forms for each expansion term have been developed. To reduce the number of expressions of the effective Hamiltonian, the reduced matrix elements of antisymmetric two-particle wavefunctions are involved in the consideration. The general expressions presented allow the determination of the spin-angular part of expansion terms when studying correlation effects dealing with a number of problems in atomic structure calculations.
Quantifying the Hierarchical Order in Self-Aligned Carbon Nanotubes from Atomic to Micrometer Scale.
Meshot, Eric R; Zwissler, Darwin W; Bui, Ngoc; Kuykendall, Tevye R; Wang, Cheng; Hexemer, Alexander; Wu, Kuang Jen J; Fornasiero, Francesco
2017-06-27
Fundamental understanding of structure-property relationships in hierarchically organized nanostructures is crucial for the development of new functionality, yet quantifying structure across multiple length scales is challenging. In this work, we used nondestructive X-ray scattering to quantitatively map the multiscale structure of hierarchically self-organized carbon nanotube (CNT) "forests" across 4 orders of magnitude in length scale, from 2.0 Å to 1.5 μm. Fully resolved structural features include the graphitic honeycomb lattice and interlayer walls (atomic), CNT diameter (nano), as well as the greater CNT ensemble (meso) and large corrugations (micro). Correlating orientational order across hierarchical levels revealed a cascading decrease as we probed finer structural feature sizes with enhanced sensitivity to small-scale disorder. Furthermore, we established qualitative relationships for single-, few-, and multiwall CNT forest characteristics, showing that multiscale orientational order is directly correlated with number density spanning 10 9 -10 12 cm -2 , yet order is inversely proportional to CNT diameter, number of walls, and atomic defects. Lastly, we captured and quantified ultralow-q meridional scattering features and built a phenomenological model of the large-scale CNT forest morphology, which predicted and confirmed that these features arise due to microscale corrugations along the vertical forest direction. Providing detailed structural information at multiple length scales is important for design and synthesis of CNT materials as well as other hierarchically organized nanostructures.
Numerical Calculations of Short-Range Wakefields of Collimators
NASA Astrophysics Data System (ADS)
Ng, C. K.
2001-12-01
The performance of future linear colliders are limited by the effect of short-range collimator wakefields on the beam. The beam quality is sensitive to the positioning of collimators at the end of the linac. The determination of collimator wakefields has been difficult, largely because of the scarcity of measurement data, and of the limitation of applicability of analytical results to realistic structures. In this paper, numerical methods using codes such as MAFIA are used to determine a series of tapered collimators with rectangular apertures that have been built for studies at SLAC (Stanford Linear Accelerator Center). We will study the dependences of the wakefield on the collimator taper angle, the collimator gap as well as the bunch length. Calculations are also compared with measurements.
Kernel optimization for short-range molecular dynamics
NASA Astrophysics Data System (ADS)
Hu, Changjun; Wang, Xianmeng; Li, Jianjiang; He, Xinfu; Li, Shigang; Feng, Yangde; Yang, Shaofeng; Bai, He
2017-02-01
To optimize short-range force computations in Molecular Dynamics (MD) simulations, multi-threading and SIMD optimizations are presented in this paper. With respect to multi-threading optimization, a Partition-and-Separate-Calculation (PSC) method is designed to avoid write conflicts caused by using Newton's third law. Serial bottlenecks are eliminated with no additional memory usage. The method is implemented by using the OpenMP model. Furthermore, the PSC method is employed on Intel Xeon Phi coprocessors in both native and offload models. We also evaluate the performance of the PSC method under different thread affinities on the MIC architecture. In the SIMD execution, we explain the performance influence in the PSC method, considering the "if-clause" of the cutoff radius check. The experiment results show that our PSC method is relatively more efficient compared to some traditional methods. In double precision, our 256-bit SIMD implementation is about 3 times faster than the scalar version.
Dependence of Coulomb Sum Rule on the Short Range Correlation by Using Av18 Potential
NASA Astrophysics Data System (ADS)
Modarres, M.; Moeini, H.; Moshfegh, H. R.
The Coulomb sum rule (CSR) and structure factor are calculated for inelastic electron scattering from nuclear matter at zero and finite temperature in the nonrelativistic limit. The effect of short-range correlation (SRC) is presented by using lowest order constrained variational (LOCV) method and the Argonne Av18 and Δ-Reid soft-core potentials. The effects of different potentials as well as temperature are investigated. It is found that the nonrelativistic version of Bjorken scaling approximately sets in at the momentum transfer of about 1.1 to 1.2 GeV/c and the increase of temperature makes it to decrease. While different potentials do not significantly change CSR, the SRC improves the Coulomb sum rule and we get reasonably close results to both experimental data and others theoretical predictions.
Self-organized molecular films with long-range quasiperiodic order.
Fournée, Vincent; Gaudry, Émilie; Ledieu, Julian; de Weerd, Marie-Cécile; Wu, Dongmei; Lograsso, Thomas
2014-04-22
Self-organized molecular films with long-range quasiperiodic order have been grown by using the complex potential energy landscape of quasicrystalline surfaces as templates. The long-range order arises from a specific subset of quasilattice sites acting as preferred adsorption sites for the molecules, thus enforcing a quasiperiodic structure in the film. These adsorption sites exhibit a local 5-fold symmetry resulting from the cut by the surface plane through the cluster units identified in the bulk solid. Symmetry matching between the C60 fullerene and the substrate leads to a preferred adsorption configuration of the molecules with a pentagonal face down, a feature unique to quasicrystalline surfaces, enabling efficient chemical bonding at the molecule-substrate interface. This finding offers opportunities to investigate the physical properties of model 2D quasiperiodic systems, as the molecules can be functionalized to yield architectures with tailor-made properties.
Tried and True: The Romance of the Atoms--Animated Atomic Attractions
ERIC Educational Resources Information Center
Hibbitt, Catherine
2010-01-01
Since the formation of atomic bonds is active, the authors sought a way of learning through drama or kinetic activity. To achieve this goal, they developed an activity called Romance of the Atoms. The activity requires students to use computer-animation technology to develop short cartoons that explain atomic classification and bonds. This…
Guo, Wenbin; Liu, Feng; Chen, Jindong; Wu, Renrong; Zhang, Zhikun; Yu, Miaoyu; Xue, Zhimin; Zhao, Jingping
2016-08-01
Abnormal functional connectivity has been observed in major depressive disorder. Anatomical distance may affect functional connectivity in patients with major depressive disorder. However, whether and how anatomical distance affects functional connectivity at rest remains unclear in drug-naive patients with major depressive disorder. Forty-four patients with major depressive disorder, as well as 44 age-, sex- and education-matched healthy controls, underwent resting-state functional magnetic resonance imaging scanning. Regional functional connectivity strength was calculated for each voxel in the whole brain, which was further divided into short- and long-range functional connectivity strength. The patients showed decreased long-range positive functional connectivity strength in the right inferior parietal lobule, as well as decreased short-range positive functional connectivity strength in the right insula and right superior temporal gyrus relative to those of the controls. No significant correlations existed between abnormal functional connectivity strength and the clinical variables of the patients. The findings revealed that anatomical distance decreases long- and short-range functional connectivity strength in patients with major depressive disorder, which may underlie the neurobiology of major depressive disorder. © The Royal Australian and New Zealand College of Psychiatrists 2015.
A comparison of serial order short-term memory effects across verbal and musical domains.
Gorin, Simon; Mengal, Pierre; Majerus, Steve
2018-04-01
Recent studies suggest that the mechanisms involved in the short-term retention of serial order information may be shared across short-term memory (STM) domains such as verbal and visuospatial STM. Given the intrinsic sequential organization of musical material, the study of STM for musical information may be particularly informative about serial order retention processes and their domain-generality. The present experiment examined serial order STM for verbal and musical sequences in participants with no advanced musical expertise and experienced musicians. Serial order STM for verbal information was assessed via a serial order reconstruction task for digit sequences. In the musical domain, serial order STM was assessed using a novel melodic sequence reconstruction task maximizing the retention of tone order information. We observed that performance for the verbal and musical tasks was characterized by sequence length as well as primacy and recency effects. Serial order errors in both tasks were characterized by similar transposition gradients and ratios of fill-in:infill errors. These effects were observed for both participant groups, although the transposition gradients and ratios of fill-in:infill errors showed additional specificities for musician participants in the musical task. The data support domain-general serial order STM effects but also suggest the existence of additional domain-specific effects. Implications for models of serial order STM in verbal and musical domains are discussed.
Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations
NASA Astrophysics Data System (ADS)
Teijeiro, C.; Hammerschmidt, T.; Drautz, R.; Sutmann, G.
2016-07-01
Analytic bond-order potentials (BOPs) provide a way to compute atomistic properties with controllable accuracy. For large-scale computations of heterogeneous compounds at the atomistic level, both the computational efficiency and memory demand of BOP implementations have to be optimized. Since the evaluation of BOPs is a local operation within a finite environment, the parallelization concepts known from short-range interacting particle simulations can be applied to improve the performance of these simulations. In this work, several efficient parallelization methods for BOPs that use three-dimensional domain decomposition schemes are described. The schemes are implemented into the bond-order potential code BOPfox, and their performance is measured in a series of benchmarks. Systems of up to several millions of atoms are simulated on a high performance computing system, and parallel scaling is demonstrated for up to thousands of processors.
Lasers, Cold Atoms and Atomic Clocks: Realizing the Second Today
NASA Astrophysics Data System (ADS)
Calonico, Davide
2013-09-01
The time is the physical quantity that mankind could measure with the best accuracy, thanks to the properties of the atomic physics, as the present definition of time is based on atomic energy transitions. This short review gives some basic information on the heart of the measurement of time in the contemporary world, i.e. the atomic clocks, and some trends related.
Probing short-range nucleon-nucleon interactions with an electron-ion collider
Miller, Gerald A.; Sievert, Matthew D.; Venugopalan, Raju
2016-04-07
For this research, we derive the cross section for exclusive vector meson production in high-energy deeply inelastic scattering off a deuteron target that disintegrates into a proton and a neutron carrying large relative momentum in the final state. This cross section can be expressed in terms of a novel gluon transition generalized parton distribution (T-GPD); the hard scale in the final state makes the T-GPD sensitive to the short-distance nucleon-nucleon interaction. We perform a toy model computation of this process in a perturbative framework and discuss the time scales that allow the separation of initial- and final-state dynamics in themore » T-GPD. We outline the more general computation based on the factorization suggested by the toy computation: In particular, we discuss the relative role of “pointlike” and “geometric” Fock configurations that control the parton dynamics of short-range nucleon-nucleon scattering. With the aid of exclusive J/ψ production data at the Hadron-Electron Ring Accelerator at DESY, as well as elastic nucleon-nucleon cross sections, we estimate rates for exclusive deuteron photodisintegration at a future Electron-Ion Collider (EIC). Our results, obtained using conservative estimates of EIC integrated luminosities, suggest that center-of-mass energies sNN ~12GeV 2 of the neutron-proton subsystem can be accessed. We argue that the high energies of the EIC can address outstanding dynamical questions regarding the short-range quark-gluon structure of nuclear forces by providing clean gluon probes of such “knockout” exclusive reactions in light and heavy nuclei.« less
Challenging the ‘Big G’ measurement with atoms and light
NASA Astrophysics Data System (ADS)
Rosi, Gabriele
2016-10-01
The measurement of the Newtonian gravity constant G is a formidable task. Starting from the first determination made by Henry Cavendish in 1798, several attempts have been made in order to improve knowledge of its value. Nevertheless, despite these efforts, its uncertainty has decreased only by a factor of ten per century. Cold atom interferometry represents a conceptually different technique to challenge the G measurement, a feature that is crucial in order to identify discrepancies among previous measurements. In this review paper, after a short introduction on the traditional measurement techniques, I will describe and discuss past and ongoing G determination based on atom interferometry, highlighting for each of them the most significant aspects.
NASA Astrophysics Data System (ADS)
Tang, Li-Yan; Yan, Zong-Chao; Shi, Ting-Yun; Babb, James F.; Mitroy, J.
2012-03-01
The long-range non-additive three-body dispersion interaction coefficients Z111, Z112, Z113, and Z122 are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb), and the alkaline-earth atoms (up to Sr). The term Z111 arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms Z112, Z113, and Z122 arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as dipole-dipole-quadrupole, dipole-dipole-octupole, and dipole-quadrupole-quadrupole coefficients. Results for the four Z coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, and Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data.
Short-range solar radiation forecasts over Sweden
NASA Astrophysics Data System (ADS)
Landelius, Tomas; Lindskog, Magnus; Körnich, Heiner; Andersson, Sandra
2018-04-01
In this article the performance for short-range solar radiation forecasts by the global deterministic and ensemble models from the European Centre for Medium-Range Weather Forecasts (ECMWF) is compared with an ensemble of the regional mesoscale model HARMONIE-AROME used by the national meteorological services in Sweden, Norway and Finland. Note however that only the control members and the ensemble means are included in the comparison. The models resolution differs considerably with 18 km for the ECMWF ensemble, 9 km for the ECMWF deterministic model, and 2.5 km for the HARMONIE-AROME ensemble. The models share the same radiation code. It turns out that they all underestimate systematically the Direct Normal Irradiance (DNI) for clear-sky conditions. Except for this shortcoming, the HARMONIE-AROME ensemble model shows the best agreement with the distribution of observed Global Horizontal Irradiance (GHI) and DNI values. During mid-day the HARMONIE-AROME ensemble mean performs best. The control member of the HARMONIE-AROME ensemble also scores better than the global deterministic ECMWF model. This is an interesting result since mesoscale models have so far not shown good results when compared to the ECMWF models. Three days with clear, mixed and cloudy skies are used to illustrate the possible added value of a probabilistic forecast. It is shown that in these cases the mesoscale ensemble could provide decision support to a grid operator in terms of forecasts of both the amount of solar power and its probabilities.
NASA Technical Reports Server (NTRS)
Mckendry, M. S.
1985-01-01
The notion of 'atomic actions' has been considered in recent work on data integrity and reliability. It has been found that the standard database operations of 'read' and 'write' carry with them severe performance limitations. For this reason, systems are now being designed in which actions operate on 'objects' through operations with more-or-less arbitrary semantics. An object (i.e., an instance of an abstract data type) comprises data, a set of operations (procedures) to manipulate the data, and a set of invariants. An 'action' is a unit of work. It appears to be primitive to its surrounding environment, and 'atomic' to other actions. Attention is given to the conventional model of nested actions, ordering requirements, the maximum possible visibility (full visibility) for items which must be controlled by ordering constraints, item management paradigms, and requirements for blocking mechanisms which provide the required visibility.
Long range ordered alloys modified by group IV-B metals
Liu, Chain T.; Inouye, Henry; Schaffhauser, Anthony C.
1983-01-01
Ductile long range ordered alloys having high critical ordering temperatures exist in the (V,M)(Fe,Ni,Co).sub.3 system having the composition comprising by weight 20.6%-22.6% V, 14-50% Fe, 0-64% Co, and 0-40% Ni, and 0.4-1.4% M, where M is a metal selected from the group consisting of Ti, Zr, Hf, and their mixtures. These modified alloys have an electron density no greater than 8.00 and exhibit marked increases at elevated temperature in ductility and other mechanical properties over previously known ordered alloys.
Short-Term Memory for Order but Not for Item Information Is Impaired in Developmental Dyslexia
ERIC Educational Resources Information Center
Hachmann, Wibke M.; Bogaerts, Louisa; Szmalec, Arnaud; Woumans, Evy; Duyck, Wouter; Job, Remo
2014-01-01
Recent findings suggest that people with dyslexia experience difficulties with the learning of serial order information during the transition from short-to long-term memory (Szmalec et al. "Journal of Experimental Psychology: Learning, Memory, & Cognition" 37(5): 1270-1279, 2011). At the same time, models of short-term memory…
Applicability of modified effective-range theory to positron-atom and positron-molecule scattering
DOE Office of Scientific and Technical Information (OSTI.GOV)
Idziaszek, Zbigniew; Karwasz, Grzegorz; Instytut Fizyki, Uniwersytet Mikolaja Kopernika, 87-100 Torun
2006-06-15
We analyze low-energy scattering of positrons on Ar atoms and N{sub 2} molecules using the modified effective-range theory (MERT) developed by O'Malley, et al. [J. Math. Phys. 2, 491 (1961)]. We use the formulation of MERT based on exact solutions of the Schroedinger equation with polarization potential rather than low-energy expansions of phase shifts into momentum series. We show that MERT describes the experimental data well, provided that effective-range expansion is performed both for s- and p-wave scattering, which dominate in the considered regime of positron energies (0.4-2 eV). We estimate the values of the s-wave scattering length and themore » effective range for e{sup +}-Ar and e{sup +}-N{sub 2} collisions.« less
Interference, focusing and excitation of ultracold atoms
NASA Astrophysics Data System (ADS)
Kandes, M. C.; Fahy, B. M.; Williams, S. R.; Tally, C. H., IV; Bromley, M. W. J.
2011-05-01
One of the pressing technological challenges in atomic physics is to go orders-of-magnitude beyond the limits of photon-based optics by harnessing the wave-nature of dilute clouds of ultracold atoms. We have developed parallelised algorithms to perform numerical calculations of the Gross-Pitaevskii equation in up to three dimensions and with up to three components to simulate Bose-Einstein condensates. A wide-ranging array of the physics associated with atom optics-based systems will be presented including BEC-based Sagnac interferometry in circular waveguides, the focusing of BECs using Laguerre-Gauss beams, and the interactions between BECs and Ince-Gaussian laser beams and their potential applications. One of the pressing technological challenges in atomic physics is to go orders-of-magnitude beyond the limits of photon-based optics by harnessing the wave-nature of dilute clouds of ultracold atoms. We have developed parallelised algorithms to perform numerical calculations of the Gross-Pitaevskii equation in up to three dimensions and with up to three components to simulate Bose-Einstein condensates. A wide-ranging array of the physics associated with atom optics-based systems will be presented including BEC-based Sagnac interferometry in circular waveguides, the focusing of BECs using Laguerre-Gauss beams, and the interactions between BECs and Ince-Gaussian laser beams and their potential applications. Performed on computational resources via NSF grants PHY-0970127, CHE-0947087 and DMS-0923278.
Making two dysprosium atoms rotate —Einstein-de Haas effect revisited
NASA Astrophysics Data System (ADS)
Górecki, Wojciech; Rzążewski, Kazimierz
2016-10-01
We present a numerical study of the behaviour of two magnetic dipolar atoms trapped in a harmonic potential and exhibiting the standard Einstein-de Haas effect while subject to a time-dependent homogeneous magnetic field. Using a simplified description of the short-range interaction and the full expression for the dipole-dipole forces we show that under experimentally realisable conditions two dysprosium atoms may be pumped to a high (l > 20) value of the relative orbital angular momentum.
Towards highest peak intensities for ultra-short MeV-range ion bunches
NASA Astrophysics Data System (ADS)
Busold, Simon; Schumacher, Dennis; Brabetz, Christian; Jahn, Diana; Kroll, Florian; Deppert, Oliver; Schramm, Ulrich; Cowan, Thomas E.; Blažević, Abel; Bagnoud, Vincent; Roth, Markus
2015-07-01
A laser-driven, multi-MeV-range ion beamline has been installed at the GSI Helmholtz center for heavy ion research. The high-power laser PHELIX drives the very short (picosecond) ion acceleration on μm scale, with energies ranging up to 28.4 MeV for protons in a continuous spectrum. The necessary beam shaping behind the source is accomplished by applying magnetic ion lenses like solenoids and quadrupoles and a radiofrequency cavity. Based on the unique beam properties from the laser-driven source, high-current single bunches could be produced and characterized in a recent experiment: At a central energy of 7.8 MeV, up to 5 × 108 protons could be re-focused in time to a FWHM bunch length of τ = (462 ± 40) ps via phase focusing. The bunches show a moderate energy spread between 10% and 15% (ΔE/E0 at FWHM) and are available at 6 m distance to the source und thus separated from the harsh laser-matter interaction environment. These successful experiments represent the basis for developing novel laser-driven ion beamlines and accessing highest peak intensities for ultra-short MeV-range ion bunches.
Towards highest peak intensities for ultra-short MeV-range ion bunches
Busold, Simon; Schumacher, Dennis; Brabetz, Christian; Jahn, Diana; Kroll, Florian; Deppert, Oliver; Schramm, Ulrich; Cowan, Thomas E.; Blažević, Abel; Bagnoud, Vincent; Roth, Markus
2015-01-01
A laser-driven, multi-MeV-range ion beamline has been installed at the GSI Helmholtz center for heavy ion research. The high-power laser PHELIX drives the very short (picosecond) ion acceleration on μm scale, with energies ranging up to 28.4 MeV for protons in a continuous spectrum. The necessary beam shaping behind the source is accomplished by applying magnetic ion lenses like solenoids and quadrupoles and a radiofrequency cavity. Based on the unique beam properties from the laser-driven source, high-current single bunches could be produced and characterized in a recent experiment: At a central energy of 7.8 MeV, up to 5 × 108 protons could be re-focused in time to a FWHM bunch length of τ = (462 ± 40) ps via phase focusing. The bunches show a moderate energy spread between 10% and 15% (ΔE/E0 at FWHM) and are available at 6 m distance to the source und thus separated from the harsh laser-matter interaction environment. These successful experiments represent the basis for developing novel laser-driven ion beamlines and accessing highest peak intensities for ultra-short MeV-range ion bunches. PMID:26212024
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.
NASA Astrophysics Data System (ADS)
Gauthier, Nicolas; Fennell, Amy; Uldry, Anne-Christine; Delley, Bernard; Sibille, Romain; White, Jonathan; Niedermayer, Christof; Pomjakushin, Vladimir; Kenzelmann, Michel; Prevost, Bobby; Desilets-Benoit, Alexandre; Bianchi, Andrea D.; Dabkowska, Hanna A.; Nilsen, Goran; Regnault, Louis-Pierre
The simultaneous occurence of geometrical frustration and low dimensionality can lead to strongly correlated fluctuating ground states. In the SrLn2O4 compounds, the Ln magnetic ions form one-dimensional (1D) zig-zag chains that have both of these characteristics, offering a playground to study novel states of matter. In SrDy2O4, the two inequivalent Dy3+ sites are Ising-like with perpendicular easy-axes, favouring the decoupling of neighbouring zig-zag chains. No long range order is observed down to T = 60 mK in zero field but diffuse neutron scattering indicates short range correlations that are consistent with those of the 1D Ising zig-zag chain model. AC susceptibility measurements indicate a slowing down of the fluctuations at low temperatures. We attribute this behaviour to the domain walls in the zig-zag chains. Experimental evidence of a dimensionality crossover at low temperatures in SrDy2O4 suggest that the domains walls are trapped because of interchain interactions, precluding long-range order to the lowest temperatures.
SRA (Short Range Aids to Navigation) Resource Management: Measures of Effectiveness.
1986-09-01
invest ’ ’-" in R&D and technological innovation. uit Measures of effectiveness developed under the first task deal primarily with safety...illustratve example presented in Chapter 5. A project of this nature and complexity could not be carried out without the assistance and support of others. A...helping the project attain its goals. Foremost is Mr. Karl R. Schroeder, Short Range Aids to Navigation Section Chief in the USCG
Short-range transit plan for the Phoenix urbanized area : fiscal years 1982-1986
DOT National Transportation Integrated Search
1981-07-21
Report presents the FY 1980-81 update of the Phoenix, Arizona, urbanized area Short Range Transit Plan. It describes a five-year plan to guide improvements of the public transportation sytem. Planning aspects of the report will be incorporated into t...
Status of the dedicated short-range communications technology and applications : report to Congress.
DOT National Transportation Integrated Search
2015-07-01
This report responds to a Congressional request for an assessment of the 5.9 Gigahertz (GHz) Dedicated Short Range Communications (DSRC) in accordance with the requirements provided by Congress in the Moving Ahead for Progress in the 21st Century Act...
Highly excited bound-state resonances of short-range inverse power-law potentials
NASA Astrophysics Data System (ADS)
Hod, Shahar
2017-11-01
We study analytically the radial Schrödinger equation with long-range attractive potentials whose asymptotic behaviors are dominated by inverse power-law tails of the form V(r)=-β _n r^{-n} with n>2. In particular, assuming that the effective radial potential is characterized by a short-range infinitely repulsive core of radius R, we derive a compact analytical formula for the threshold energy E^{ {max}}_l=E^{ {max}}_l(n,β _n,R), which characterizes the most weakly bound-state resonance (the most excited energy level) of the quantum system.
Probing short-range correlations in asymmetric nuclei with quasi-free pair knockout reactions
NASA Astrophysics Data System (ADS)
Stevens, Sam; Ryckebusch, Jan; Cosyn, Wim; Waets, Andreas
2018-02-01
Short-range correlations (SRC) in asymmetric nuclei with an unusual neutron-to-proton ratio can be studied with quasi-free two-nucleon knockout processes following the collision between accelerated ions and a proton target. We derive an approximate factorized cross section for those SRC-driven p (A ,p‧N1N2) reactions. Our reaction model hinges on the factorization properties of SRC-driven A (e ,e‧N1N2) reactions for which strong indications are found in theory-experiment comparisons. In order to put our model to the test we compare its predictions with results of 12C (p ,p‧ pn) measurements conducted at Brookhaven National Laboratory (BNL) and find a fair agreement. The model can also reproduce characteristic features of SRC-driven two-nucleon knockout reactions, like back-to-back emission of the correlated nucleons. We study the asymmetry dependence of nuclear SRC by providing predictions for the ratio of proton-proton to proton-neutron knockout cross sections for the carbon isotopes 9-15C thereby covering neutron excess values (N - Z) / Z between -0.5 and +0.5.
Chung, Charles S; Mitov, Mihail I; Callahan, Leigh Ann; Campbell, Kenneth S
2014-06-15
Diastolic dysfunction is a clinically significant problem for patients with diabetes and often reflects increased ventricular stiffness. Attached cross-bridges contribute to myocardial stiffness and produce short-range forces, but it is not yet known whether these forces are altered in diabetes. In this study, we tested the hypothesis that cross-bridge-based short-range forces are increased in the streptozotocin (STZ) induced rat model of type 1 diabetes. Chemically permeabilized myocardial preparations were obtained from 12week old rats that had been injected with STZ or vehicle 4weeks earlier, and activated in solutions with pCa (=-log10[Ca(2+)]) values ranging from 9.0 to 4.5. The short-range forces elicited by controlled length changes were ∼67% greater in the samples from the diabetic rats than in the control preparations. This change was mostly due to an increased elastic limit (the length change at the peak short-range force) as opposed to increased passive muscle stiffness. The STZ-induced increase in short-ranges forces is thus unlikely to reflect changes to titin and/or collagen filaments. Gel electrophoresis showed that STZ increased the relative expression of β myosin heavy chain. This molecular mechanism can explain the increased short-ranges forces observed in the diabetic tissue if β myosin molecules remain bound between the filaments for longer durations than α molecules during imposed movements. These results suggest that interventions that decrease myosin attachment times may be useful treatments for diastolic dysfunction associated with diabetes. Copyright © 2013 Elsevier Inc. All rights reserved.
Long-range ordering effect in electrodeposition of zinc and zinc oxide.
Liu, Tao; Wang, Sheng; Shi, Zi-Liang; Ma, Guo-Bin; Wang, Mu; Peng, Ru-Wen; Hao, Xi-Ping; Ming, Nai-Ben
2007-05-01
In this paper, we report the long-range ordering effect observed in the electro-crystallization of Zn and ZnO from an ultrathin aqueous electrolyte layer of ZnSO4 . The deposition branches are regularly angled, covered with random-looking, scalelike crystalline platelets of ZnO. Although the orientation of each crystalline platelet of ZnO appears random, transmission electron microscopy shows that they essentially possess the same crystallographic orientation as the single-crystalline zinc electrodeposit underneath. Based on the experimental observations, we suggest that this unique long-range ordering effect results from an epitaxial nucleation effect in electrocrystallization.
Probing the antiferromagnetic long-range order with Glauber spin states
NASA Technical Reports Server (NTRS)
Cabrera, Guillermo G.
1994-01-01
It is well known that the ground state of low-dimensional antiferromagnets deviates from Neel states due to strong quantum fluctuations. Even in the presence of long-range order, those fluctuations produce a substantial reduction of the magnetic moment from its saturation value. Numerical simulations in anisotropic antiferromagnetic chains suggest that quantum fluctuations over Neel order appear in the form of localized reversal of pairs of neighboring spins. In this paper, we propose a coherent state representation for the ground state to describe the above situation. In the one-dimensional case, our wave function corresponds to a two-mode Glauber state, when the Neel state is used as a reference, while the boson fields are associated to coherent flip of spin pairs. The coherence manifests itself through the antiferromagnetic long-range order that survives the action of quantum fluctuations. The present representation is different from the standard zero-point spin wave state, and is asymptotically exact in the limit of strong anisotropy. The fermionic version of the theory, obtained through the Jordan-Wigner transformation, is also investigated.
Long-range dispersion interactions between Li and rare-gas atoms
NASA Astrophysics Data System (ADS)
Zhang, Deng-Hong; Xu, Ya-Bin; Jiang, Jun; Jiang, Li; Xie, Lu-You; Dong, Chen-Zhong
2017-06-01
The energy levels, oscillator strength and dipole scalar polarizabilities of Li atoms are calculated by using the relativistic semiempirical-core-potential method (RCICP). The dispersion coefficients C6 between ground 2s1/2 2p1/2,2p3/2 states of Li atom and the ground state of rare gas atoms (Ne, Ar, Kr, Xe) are calculated in JJ coupled states, in which the spin-orbital interactions are included. Present results are in good agreement with other available results. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.
Experimental results on atomic oxygen corrosion of silver
NASA Technical Reports Server (NTRS)
Fromhold, Albert T.
1988-01-01
The results of an experimental study of the reaction kinetics of silver with atomic oxygen in 10 degree increments over the temperature range of 0 to 70 C is reported. The silver specimens, of the order of 10,000 A in thickness, were prepared by thermal evaporation onto 3 inch diameter polished silicon wafers. There were later sliced into pieces having surface areas of the order of 1/4 to 1/2 square inch. Atomic oxygen was generated by a gas discharge in a commercial plasmod asher operating in the megahertz frequency range. The sample temperature within the chamber was controlled by means of a thermoelectric unit. Exposure of the silver specimens to atomic oxygen was incremental, with oxide film thickness measurements being carried out between exposures by means of an automated ellipsometer. For the early growth phase, the data can be described satisfactorily by a logarithmic growth law: the oxide film thickness increases as the logarithm of the exposure time. Furthermore, the oxidation process is thermally activated, the rate increasing with increasing temperature. However, the empirical activation energy parameter deduced from Arrhenius plots is quite low, being of the order of 0.1 eV.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Xu, Dongbin, E-mail: dongbin.xu@seagate.com; Department of Materials Science and Engineering, National University of Singapore, Singapore 117576; Sun, Cheng-Jun, E-mail: cjsun@aps.anl.gov, E-mail: msecgm@nus.edu.sg
2014-10-14
In structurally ordered magnetic thin films, the Curie temperature (T{sub C}) of ferromagnetic films depends on the exchange integral of the short range ordered neighboring atoms. The exchange integral may be adjusted by controlling the elemental substitutional concentration at the lattice site of interest. We show how to control the T{sub C} in high anisotropy L1{sub 0} Fe{sub 50}Pt{sub 50} magnetic thin films by substituting Rh into the Pt site. Rh substitution in L1{sub 0} FePt modified the local atomic environment and the corresponding electronic properties, while retaining the ordered L1{sub 0} phase. The analysis of extended x-ray Absorption Finemore » Structure spectra shows that Rh uniformly substitutes for Pt in L1{sub 0} FePt. A model of antiferromagnetic defects caused by controlled Rh substitution of the Pt site, reducing the T{sub C,} is proposed to interpret this phenomenon and its validity is further examined by ab initio density functional calculations.« less
The representation of order information in auditory-verbal short-term memory.
Kalm, Kristjan; Norris, Dennis
2014-05-14
Here we investigate how order information is represented in auditory-verbal short-term memory (STM). We used fMRI and a serial recall task to dissociate neural activity patterns representing the phonological properties of the items stored in STM from the patterns representing their order. For this purpose, we analyzed fMRI activity patterns elicited by different item sets and different orderings of those items. These fMRI activity patterns were compared with the predictions made by positional and chaining models of serial order. The positional models encode associations between items and their positions in a sequence, whereas the chaining models encode associations between successive items and retain no position information. We show that a set of brain areas in the postero-dorsal stream of auditory processing store associations between items and order as predicted by a positional model. The chaining model of order representation generates a different pattern similarity prediction, which was shown to be inconsistent with the fMRI data. Our results thus favor a neural model of order representation that stores item codes, position codes, and the mapping between them. This study provides the first fMRI evidence for a specific model of order representation in the human brain. Copyright © 2014 the authors 0270-6474/14/346879-08$15.00/0.
Hayashi, Kouichi
2014-11-01
Atomic resolution holography, such as X-ray fluorescence holography (XFH)[1] and photoelectron holography (PH), has the attention of researcher as an informative local structure analysis, because it provides three dimensional atomic images around specific elements within a range of a few nanometers. It can determine atomic arrangements around a specific element without any prior knowledge of structures. It is considered that the atomic resolution holographic is a third method of structural analysis at the atomic level after X-ray diffraction (XRD) and X-ray absorption fine structure (XAFS). As known by many researchers, XRD and XAFS are established methods that are widespread use in various fields. XRD and XAFS provide information on long-range translational periodicities and very local environments, respectively, whereas the atomic resolution holography gives 3D information on the local order and can visualize surrounding atoms with a large range of coordination shells. We call this feature "3D medium-range local structure observation".In addition to this feature, the atomic resolution holography is very sensitive to the displacement of atoms from their ideal positions, and one can obtain quantitative information about local lattice distortions by analyzing reconstructed atomic images[2] When dopants with different atomic radii from the matrix elements are present, the lattices around the dopants are distorted. However, using the conventional methods of structural analysis, one cannot determine the extent to which the local lattice distortions are preserved from the dopants. XFH is a good tool for solving this problem.Figure 1 shows a recent achievement on a relaxor ferroelectric of Pb(Mg1/3Nb2/3)O3 (PMN) using XFH. The structural studies of relaxor ferroelectrics have been carried out by X-ray or neutron diffractions, which suggested rhombohedral distortions of their lattices. However, their true pictures have not been obtained, yet. The Nb Kα holograms showed
Majerus, Steve; Van der Linden, Martial; Braissand, Vérane; Eliez, Stephan
2007-03-01
Many researchers have recently explored the cognitive profile of velocardiofacial syndrome (VCFS), a neurodevelopmental disorder linked to a 22q11.2 deletion. However, verbal short-term memory has not yet been systematically investigated. We explored verbal short-term memory abilities in a group of 11 children and adults presenting with VCFS and two control groups, matched on either CA or vocabulary knowledge, by distinguishing short-term memory for serial order and item information. The VCFS group showed impaired performance on the serial order short-term memory tasks compared to both control groups. Relative to the vocabulary-matched control group, item short-term memory was preserved. The implication of serial order short-term memory deficits on other aspects of cognitive development in VCFS (e.g., language development, numerical cognition) is discussed.
Interplay of long-range and short-range Coulomb interactions in an Anderson-Mott insulator
NASA Astrophysics Data System (ADS)
Baćani, Mirko; Novak, Mario; Orbanić, Filip; Prša, Krunoslav; Kokanović, Ivan; Babić, Dinko
2017-07-01
In this paper, we tackle the complexity of coexisting disorder and Coulomb electron-electron interactions (CEEIs) in solids by addressing a strongly disordered system with intricate CEEIs and a screening that changes both with charge carrier doping level Q and temperature T . We report on an experimental comparative study of the T dependencies of the electrical conductivity σ and magnetic susceptibility χ of polyaniline pellets doped with dodecylbenzenesulfonic acid over a wide range. This material is special within the class of doped polyaniline by exhibiting in the electronic transport a crossover between a low-T variable range hopping (VRH) and a high-T nearest-neighbor hopping (NNH) well below room temperature. Moreover, there is evidence of a soft Coulomb gap ΔC in the disorder band, which implies the existence of a long-range CEEI. Simultaneously, there is an onsite CEEI manifested as a Hubbard gap U and originating in the electronic structure of doped polyaniline, which consists of localized electron states with dynamically varying occupancy. Therefore, our samples represent an Anderson-Mott insulator in which long-range and short-range CEEIs coexist. The main result of the study is the presence of a crossover between low- and high-T regimes not only in σ (T ) but also in χ (T ) , the crossover temperature T* being essentially the same for both observables over the entire doping range. The relatively large electron localization length along the polymer chains results in U being small, between 12 and 20 meV for the high and low Q , respectively. Therefore, the thermal energy at T* is sufficiently large to lead to an effective closing of the Hubbard gap and the consequent appearance of NNH in the electronic transport within the disorder band. ΔC is considerably larger than U , decreasing from 190 to 30 meV as Q increases, and plays the role of an activation energy in the NNH.
Atomic physics constraints on the X boson
NASA Astrophysics Data System (ADS)
Jentschura, Ulrich D.; Nándori, István
2018-04-01
Recently, a peak in the light fermion pair spectrum at invariant q2≈(16.7MeV ) 2 has been observed in the bombardment of 7Li by protons. This peak has been interpreted in terms of a protophobic interaction of fermions with a gauge boson (X boson) of invariant mass ≈16.7 MeV which couples mainly to neutrons. High-precision atomic physics experiments aimed at observing the protophobic interaction need to separate the X boson effect from the nuclear-size effect, which is a problem because of the short range of the interaction (11.8 fm), which is commensurate with a "nuclear halo." Here we analyze the X boson in terms of its consequences for both electronic atoms as well as muonic hydrogen and deuterium. We find that the most promising atomic systems where the X boson has an appreciable effect, distinguishable from a finite-nuclear-size effect, are muonic atoms of low and intermediate nuclear charge numbers.
NASA Astrophysics Data System (ADS)
Chen, Aixi; Nie, Wenjie; Li, Ling; Zeng, Wei; Liao, Qinghong; Xiao, Xianbo
2017-11-01
We investigate the steady-state entanglement in an optomechanical system with a levitated dielectric nanosphere and a higher order excited atomic ensemble. The single nanosphere is trapped by an external harmonic dipole trap and coupled to the single-mode cavity field by the effective optomechanical coupling, which depends on the steady-state position of the nanosphere. We show that the steady-state optomechanical entanglement can be generated via the effective optomechanical interaction between the mechanical motion and the cavity mode. Further, these exist an optimal effective cavity detuning that maximizes the optomechanical entanglement. We also analyze in detail the influences of the excitation number of atoms, the radius of the nanosphere and the thermal noise strength on the steady-state optomechanical entanglement. It is found that the steady-state entanglement can be enhanced by increasing the excitation number of atoms and the radius of the nanosphere.
Federal Register 2010, 2011, 2012, 2013, 2014
2012-04-24
... NUCLEAR REGULATORY COMMISSION [Docket Nos. EA-12-050, EA-12-051; ASLBP No. 12-918-01-EA-BD01] Fukushima-Related Orders Modifying Licenses; Establishment of Atomic Safety and Licensing Board Pursuant to delegation by the Commission dated December 29, 1972, published in the Federal Register, 37 FR 28,710 (1972...
Reactions of butadiyne. 1: The reaction with hydrogen atoms
NASA Technical Reports Server (NTRS)
Schwanebeck, W.; Warnatz, J.
1984-01-01
The reaction of hydrogen (H) atoms with butadiene (C4H2) was studied at room temperature in a pressure range between w mbar and 10 mbar. The primary step was an addition of H to C4H2 which is in its high pressure range at p 1 mbar. Under these conditions the following addition of a second H atom lies in the transition region between low and high pressure range. Vibrationally excited C4H4 can be deactivated to form buten-(1)-yne-(3)(C4H4) or decomposes into two C2H2 molecules. The rate constant at room temperature for primary step is given. The second order rate constant for the consumption of buten-(1)-yne-(3) is an H atom excess at room temperature is given.
Hatayama, Masatoshi; Ichimaru, Satoshi; Ohcni, Tadayuki; Takahashi, Eiji J; Midorikawa, Katsumi; Oku, Satoshi
2016-06-27
An experimental demonstration of a wide-range narrowband multilayer mirror for selecting a single-order high-harmonic (HH) beam from multiple-order harmonics in the photon energy range between 40 eV and 70 eV was carried out. This extreme ultraviolet (XUV) mirror, based on a pair of Zr and Al0.7Si0.3 multilayers, has a reflectivity of 20-35% and contrast of more than 7 with respect to neighboring HHs at angles of incidence from 10 to 56.9 degrees, assuming HHs pumped at 1.55 eV. Thus, specific single-order harmonic beams can be arbitrarily selected from multiple-order harmonics in this photo energy range. In addition, the dispersion for input pulses of the order of 1 fs is negligible. This simple-to-align optical component is useful for the many various applications in physics, chemistry and biology that use ultrafast monochromatic HH beams.
An atomic magnetometer with autonomous frequency stabilization and large dynamic range
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pradhan, S., E-mail: spradhan@barc.gov.in, E-mail: pradhans75@gmail.com; Poornima,; Dasgupta, K.
2015-06-15
The operation of a highly sensitive atomic magnetometer using elliptically polarized resonant light is demonstrated. It is based on measurement of zero magnetic field resonance in degenerate two level systems using polarimetric detection. The transmitted light through the polarimeter is used for laser frequency stabilization, whereas reflected light is used for magnetic field measurement. Thus, the experimental geometry allows autonomous frequency stabilization of the laser frequency leading to compact operation of the overall device and has a preliminary sensitivity of <10 pT/Hz{sup 1/2} @ 1 Hz. Additionally, the dynamic range of the device is improved by feedback controlling the biasmore » magnetic field without compromising on its sensitivity.« less
NASA Technical Reports Server (NTRS)
Partridge, Harry; Stallcop, James R.; Levin, Eugene; Arnold, Jim (Technical Monitor)
2001-01-01
The interactions of a He atom with a heavier atom are examined for 26 different elements, which are consecutive members selected from three rows (Li - Ne, Na - Ar, and K,Ca, Ga - Kr) and column 12 (Zn,Cd) of the periodic table. Interaction energies are determined wing high-quality ab initio calculations for the states of the molecule that would be formed from each pair of atoms in their ground states. Potential energies are tabulated for a broad range of Interatomic separation distances. The results show, for example, that the energy of an alkali interaction at small separations is nearly the same as that of a rare-gas interaction with the same electron configuration for the dosed shells. Furthermore, the repulsive-range parameter for this region is very short compared to its length for the repulsion dominated by the alkali-valence electron at large separations (beyond about 3-4 a(sub 0)). The potential energies in the region of the van der Waals minimum agree well with the most accurate results available. The ab initio energies are applied to calculate scattering cross sections and obtain the collision integrals that are needed to determine transport properties to second order. The theoretical values of Li-He total scattering cross sections and the rare-gas atom-He transport properties agree well (to within about 1%) with the corresponding measured data. Effective potential energies are constructed from the ab initio energies; the results have been shown to reproduce known transport data and can be readily applied to predict unknown transport properties for like-atom interactions.
Long-range versus short-range correlations in the two-neutron transfer reaction 64Ni(18O,16O)66Ni
NASA Astrophysics Data System (ADS)
Paes, B.; Santagati, G.; Vsevolodovna, R. Magana; Cappuzzello, F.; Carbone, D.; Cardozo, E. N.; Cavallaro, M.; García-Tecocoatzi, H.; Gargano, A.; Ferreira, J. L.; Lenzi, S. M.; Linares, R.; Santopinto, E.; Vitturi, A.; Lubian, J.
2017-10-01
Recently, various two-neutron transfer studies using the (18O,16O) reaction were performed with a large success. This was achieved because of a combined use of the microscopic quantum description of the reaction mechanism and of the nuclear structure. In the present work we use this methodology to study the two-neutron transfer reaction of the 18O+64Ni system at 84 MeV incident energy, to the ground and first 2+ excited state of the residual 66Ni nucleus. All the experimental data were measured by the large acceptance MAGNEX spectrometer at the Instituto Nazionale di Fisica Nucleare -Laboratori Nazionali del Sud (Italy). We have performed exact finite range cross section calculations using the coupled channel Born approximation (CCBA) and coupled reaction channel (CRC) method for the sequential and direct two-neutron transfers, respectively. Moreover, this is the first time that the formalism of the microscopic interaction boson model (IBM-2) was applied to a two-neutron transfer reaction. From our results we conclude that for two-neutron transfer to the ground state of 66Ni, the direct transfer is the dominant reaction mechanism, whereas for the transfer to the first excited state of 66Ni, the sequential process dominates. A competition between long-range and short-range correlations is discussed, in particular, how the use of two different models (Shell model and IBM's) help to disentangle long- and short-range correlations.
Vapor-Deposited Glasses with Long-Range Columnar Liquid Crystalline Order
Gujral, Ankit; Gomez, Jaritza; Ruan, Shigang; ...
2017-10-04
Anisotropic molecular packing, particularly in highly ordered liquid crystalline arrangements, has the potential for optimizing performance in organic electronic and optoelectronic applications. Here we show that physical vapor deposition can be used to prepare highly organized glassy solids of discotic liquid crystalline systems. Using grazing incidence X-ray scattering, atomic force microscopy, and UV–vis spectroscopy, we compare three systems: a rectangular columnar liquid crystal, a hexagonal columnar liquid crystal, and a nonmesogen. The packing motifs accessible by vapor deposition are highly organized for the liquid crystalline systems with columns propagating either in-plane or out-of-plane depending upon the substrate temperature during deposition.more » As a result, the structures formed at a given substrate temperature can be understood as resulting from partial equilibration toward the structure of the equilibrium liquid crystal surface during the deposition process.« less
Vapor-Deposited Glasses with Long-Range Columnar Liquid Crystalline Order
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gujral, Ankit; Gomez, Jaritza; Ruan, Shigang
Anisotropic molecular packing, particularly in highly ordered liquid crystalline arrangements, has the potential for optimizing performance in organic electronic and optoelectronic applications. Here we show that physical vapor deposition can be used to prepare highly organized glassy solids of discotic liquid crystalline systems. Using grazing incidence X-ray scattering, atomic force microscopy, and UV–vis spectroscopy, we compare three systems: a rectangular columnar liquid crystal, a hexagonal columnar liquid crystal, and a nonmesogen. The packing motifs accessible by vapor deposition are highly organized for the liquid crystalline systems with columns propagating either in-plane or out-of-plane depending upon the substrate temperature during deposition.more » As a result, the structures formed at a given substrate temperature can be understood as resulting from partial equilibration toward the structure of the equilibrium liquid crystal surface during the deposition process.« less
NASA Astrophysics Data System (ADS)
Deng, Hui-Xiong; Song, Zhi-Gang; Li, Shu-Shen; Wei, Su-Huai; Luo, Jun-Wei
2018-05-01
Topological phase transition in a single material usually refers to transitions between a trivial band insulator and a topological Dirac phase, but the transition may also occur between different classes of topological Dirac phases. However, it is a fundamental challenge to realize quantum transition between Z2 nontrivial topological insulator (TI) and topological crystalline insulator (TCI) in one material because Z2 TI and TCI are hardly both co-exist in a single material due to their contradictory requirement on the number of band inversions. The Z2 TIs must have an odd number of band inversions over all the time-reversal invariant momenta, whereas, the newly discovered TCIs, as a distinct class of the topological Dirac materials protected by the underlying crystalline symmetry, owns an even number of band inversions. Here, take PbSnTe2 alloy as an example, we show that at proper alloy composition the atomic-ordering is an effective way to tune the symmetry of the alloy so that we can electrically switch between TCI phase and Z2 TI phase when the alloy is ordered from a random phase into a stable CuPt phase. Our results suggest that atomic-ordering provides a new platform to switch between different topological phases.
Chip-Scale Atomic Magnetometers
NASA Astrophysics Data System (ADS)
Knappe, Svenja
2010-03-01
Atomic magnetometers have reached sensitivities rivaling those of superconducting quantum interference devices (SQUIDs) in some frequency ranges [1]. A major advancement in atomic magnetometry was made possible by implementing interrogation schemes that suppress spin-exchange collisions between the alkali atoms [2]. Good signal-to-noise can be achieved by operation at very high alkali densities. At the same time, it introduces the challenge to create uniform spin-polarization and monitor the atomic precession about the magnetic field in atomic vapors with large optical densities. Off-resonant detection of the polarization rotation rather than the absorption is essential to operate in this regime. By use of microfabrication methods, we are miniaturizing such atomic magnetometers. They consist of miniature vapor cells with volumes of a few cubic millimeters integrated with micro-optical components. We present the advancement in sensitivities of such devices over nearly four orders of magnitude [3]. This allows for small low-power room-temperature devices with sensitivities that get close to those of SQUIDs in the frequency range around 100 Hz. We outline the current performance of chip-scale atomic magnetometers and the major challenges. Apart from efficient pumping and probing at high optical densities, these include magnetic noise caused by several sensor components and environmental factors, noise on the light fields, as well as magnetic fields from current-carrying parts, such as heaters, lasers, and photodetectors.[4pt] [1] Allred et al., Phys. Rev. Lett. 89, 130801 (2002) [0pt] [2] Happer and Tam, Phys. Rev. A 16, 1877 (1977) [0pt] [3] Griffith et al., Appl. Phys. Lett 94, 023502 (2009)
Li, Qingsong; Zhang, Yafeng; Shi, Lei; Qiu, Huihui; Zhang, Suming; Qi, Ning; Hu, Jianchen; Yuan, Wei; Zhang, Xiaohua; Zhang, Ke-Qin
2018-04-24
Artificial structural colors based on short-range-ordered amorphous photonic structures (APSs) have attracted great scientific and industrial interest in recent years. However, the previously reported methods of self-assembling colloidal nanoparticles lack fine control of the APS coating and fixation on substrates and poorly realize three-dimensional (3D) conformal coatings for objects with irregular or highly curved surfaces. In this paper, atomization deposition of silica colloidal nanoparticles with poly(vinyl alcohol) as the additive is proposed to solve the above problems. By finely controlling the thicknesses of APS coatings, additive mixing of noniridescent structural colors is easily realized. Based on the intrinsic omnidirectional feature of atomization, a one-step 3D homogeneous conformal coating is also readily realized on various irregular or highly curved surfaces, including papers, resins, metal plates, ceramics, and flexible silk fabrics. The vivid coatings on silk fabrics by atomization deposition possess robust mechanical properties, which are confirmed by rubbing and laundering tests, showing great potential in developing an environmentally friendly coloring technique in the textile industry.
Multi-channel, passive, short-range anti-aircraft defence system
NASA Astrophysics Data System (ADS)
Gapiński, Daniel; Krzysztofik, Izabela; Koruba, Zbigniew
2018-01-01
The paper presents a novel method for tracking several air targets simultaneously. The developed concept concerns a multi-channel, passive, short-range anti-aircraft defence system based on the programmed selection of air targets and an algorithm of simultaneous synchronisation of several modified optical scanning seekers. The above system is supposed to facilitate simultaneous firing of several self-guided infrared rocket missiles at many different air targets. From the available information, it appears that, currently, there are no passive self-guided seekers that fulfil such tasks. This paper contains theoretical discussions and simulations of simultaneous detection and tracking of many air targets by mutually integrated seekers of several rocket missiles. The results of computer simulation research have been presented in a graphical form.
Design of short-range terahertz wave passive detecting system
NASA Astrophysics Data System (ADS)
Zhang, Chao; Lou, Guowei; Zhu, Li; Qian, Songsong; Li, Ting
2016-09-01
Based on the study of radiation and transmission characteristics on THz waveband, a short-range passive detecting system is designed. The scheme originated from microwave passive detecting system. A prototype was developed following the design of key components including antennas and a harmonic mixer. The system operated at 0.36 THz. A dual-beam Cassegrain antenna was adopted for receiving signals which radiated by object and background. Local oscillator signal was generated by frequency multiplication. Harmonic mixing is adopted for reducing local oscillator signal frequency required by half. Superheterodyne technology is employed for signal acquisition. The system implemented easily. Tests and measurements were taken, which showed that the scheme was feasible and the performance of the prototype system met the design requirements.
Short-range variation in a Wisconsin soilscape (USA)
NASA Astrophysics Data System (ADS)
Hartemink, A. E.; Gennadiyev, A. N.; Bockheim, J. G.; Bero, N.
2017-02-01
Here we report on the variation of a soilscape in south central Wisconsin, USA. The variation in soil properties and soil features results in four soil order (Entisols, Inceptisols, Alfisols and Mollisols). Observations were made along a 200 m transect in a field that was cultivated since 1870. Slopes ranged from 7.5% on the back slope to 0% in the lower part. The soilscape had a total relief difference of 7.0 m. The soils were studied by 41 soil pits (60 cm), 6 soil pits (125 cm), 15 soil augers (100 cm), and ground-penetrating radar imagery. The summit and shoulder consist of coarse glacial outwash (loamy sands) over limestone whereas the lower part is lacustrine sediments over coarse outwash (loams, silty loams). The A-horizon thickness ranged from 14 to 52 cm with thick A horizons at the toeslope that also had the lowest soil pH. The soil organic carbon (SOC) contents of the A horizons ranged from 11.6 to 46.9 g C kg-1, and the higher contents are in the lower part of the soilscape. SOC stocks (0-20 cm depth) ranged from 50 to 70 Mg C ha-1 on the summit and backslope, but were 80 to 95 Mg C ha-1 in the flat part of the soilscape. The lowest soybean yields (1.6 Mg ha-1) were found at the summit and the highest yield (6.3 Mg ha-1) at the lower end of the backslope. Soybean yields were correlated to the thickness of the A horizon, and every 10 cm increase in A horizon thickness yielded an extra 0.6 Mg soybeans ha-1. Analysis of spherical magnetic particles was used to estimate soil erosion rates that were highest on the backslope (16.2 Mg ha-1 yr-1) and rates of soil deposition in the lowest part of the soilscape was 18.8 Mg haP1 yr-1. It seems that there is no net soil and SOC loss within this soilscape. All in all, we found 4 soil taxonomic orders within 200 m. The variation in this soilscape was substantial and probably enhanced by 140 years of cultivation.
The evolution from long-range magnetic order to spin-glass behaviour in PrAu2(Si1- xGex)2
NASA Astrophysics Data System (ADS)
Krimmel, A.; Hemberger, J.; Kegler, C.; Nicklas, M.; Engelmayer, A.; Knebel, G.; Fritsch, V.; Reehuis, M.; Brando, M.; Loidl, A.
1999-09-01
We have studied the magnetic behaviour of PrAu2(Si1-xGex)2 by means of magnetic susceptibility, resistivity, and heat capacity measurements, and x-ray and neutron powder diffraction. All compounds are isostructural and crystallize in the well known ThCr2Si2-type structure. PrAu2Si2 shows the characteristic features of a canonical spin glass with a freezing temperature of TF = 3 K. Completely unexpectedly, on introducing/increasing the atomic disorder by alloying with Ge, the spin-glass transition is suppressed as is first evident from a slight decrease of the freezing temperature TF up to x = 0.10. Long-range magnetic order sets in for xicons/Journals/Common/ge" ALT="ge" ALIGN="TOP"/>0.12. Within the range 0.15icons/Journals/Common/le" ALT="le" ALIGN="TOP"/> xicons/Journals/Common/le" ALT="le" ALIGN="TOP"/>1, all compounds show the same simple AF-I-type antiferromagnetic structure with a monotonic increase of both the Néel temperature and the ordered magnetic moment for increasing Ge concentration. The magnetic phase diagram of PrAu2(Si1-xGex)2 is explained by the presence of weak disorder at a constant level at the Au sites. Clear indications of crystal-field effects have been observed.
Atomistic cluster alignment method for local order mining in liquids and glasses
NASA Astrophysics Data System (ADS)
Fang, X. W.; Wang, C. Z.; Yao, Y. X.; Ding, Z. J.; Ho, K. M.
2010-11-01
An atomistic cluster alignment method is developed to identify and characterize the local atomic structural order in liquids and glasses. With the “order mining” idea for structurally disordered systems, the method can detect the presence of any type of local order in the system and can quantify the structural similarity between a given set of templates and the aligned clusters in a systematic and unbiased manner. Moreover, population analysis can also be carried out for various types of clusters in the system. The advantages of the method in comparison with other previously developed analysis methods are illustrated by performing the structural analysis for four prototype systems (i.e., pure Al, pure Zr, Zr35Cu65 , and Zr36Ni64 ). The results show that the cluster alignment method can identify various types of short-range orders (SROs) in these systems correctly while some of these SROs are difficult to capture by most of the currently available analysis methods (e.g., Voronoi tessellation method). Such a full three-dimensional atomistic analysis method is generic and can be applied to describe the magnitude and nature of noncrystalline ordering in many disordered systems.
NASA Astrophysics Data System (ADS)
Zhang, Yijun; Liu, Ming; Peng, Bin; Zhou, Ziyao; Chen, Xing; Yang, Shu-Ming; Jiang, Zhuang-De; Zhang, Jie; Ren, Wei; Ye, Zuo-Guang
2016-01-01
Highly-ordered and conformal iron oxide nanotube arrays on an atomic scale are successfully prepared by atomic layer deposition (ALD) with controlled oxidization states and tunable magnetic properties between superparamagnetism and ferrimagnetism. Non-magnetic α-Fe2O3 and superparamagnetic Fe3O4 with a blocking temperature of 120 K are in-situ obtained by finely controlling the oxidation reaction. Both of them exhibit a very small grain size of only several nanometers due to the nature of atom-by-atom growth of the ALD technique. Post-annealing α-Fe2O3 in a reducing atmosphere leads to the formation of the spinel Fe3O4 phase which displays a distinct ferrimagnetic anisotropy and the Verwey metal-insulator transition that usually takes place only in single crystal magnetite or thick epitaxial films at low temperatures. The ALD deposition of iron oxide with well-controlled phase and tunable magnetism demonstrated in this work provides a promising opportunity for the fabrication of 3D nano-devices to be used in catalysis, spintronics, microelectronics, data storages and bio-applications.
Multiple Roles for Time in Short-Term Memory: Evidence from Serial Recall of Order and Timing
ERIC Educational Resources Information Center
Farrell, Simon
2008-01-01
Three experiments are reported that examine the relationship between short-term memory for time and order information, and the more specific claim that order memory is driven by a timing signal. Participants were presented with digits spaced irregularly in time and postcued (Experiments 1 and 2) or precued (Experiment 3) to recall the order or…
Muscle short-range stiffness can be used to estimate the endpoint stiffness of the human arm
Hu, Xiao; Murray, Wendy M.
2011-01-01
The mechanical properties of the human arm are regulated to maintain stability across many tasks. The static mechanics of the arm can be characterized by estimates of endpoint stiffness, considered especially relevant for the maintenance of posture. At a fixed posture, endpoint stiffness can be regulated by changes in muscle activation, but which activation-dependent muscle properties contribute to this global measure of limb mechanics remains unclear. We evaluated the role of muscle properties in the regulation of endpoint stiffness by incorporating scalable models of muscle stiffness into a three-dimensional musculoskeletal model of the human arm. Two classes of muscle models were tested: one characterizing short-range stiffness and two estimating stiffness from the slope of the force-length curve. All models were compared with previously collected experimental data describing how endpoint stiffness varies with changes in voluntary force. Importantly, muscle properties were not fit to the experimental data but scaled only by the geometry of individual muscles in the model. We found that force-dependent variations in endpoint stiffness were accurately described by the short-range stiffness of active arm muscles. Over the wide range of evaluated arm postures and voluntary forces, the musculoskeletal model incorporating short-range stiffness accounted for 98 ± 2, 91 ± 4, and 82 ± 12% of the variance in stiffness orientation, shape, and area, respectively, across all simulated subjects. In contrast, estimates based on muscle force-length curves were less accurate in all measures, especially stiffness area. These results suggest that muscle short-range stiffness is a major contributor to endpoint stiffness of the human arm. Furthermore, the developed model provides an important tool for assessing how the nervous system may regulate endpoint stiffness via changes in muscle activation. PMID:21289133
Atomic References for Measuring Small Accelerations
NASA Technical Reports Server (NTRS)
Maleki, Lute; Yu, Nan
2009-01-01
Accelerometer systems that would combine the best features of both conventional (e.g., mechanical) accelerometers and atom interferometer accelerometers (AIAs) have been proposed. These systems are intended mainly for use in scientific research aboard spacecraft but may also be useful on Earth in special military, geological, and civil-engineering applications. Conventional accelerometers can be sensitive, can have high dynamic range, and can have high frequency response, but they lack accuracy and long-term stability. AIAs have low frequency response, but they offer high sensitivity, and high accuracy for measuring small accelerations. In a system according to the proposal, a conventional accelerometer would be used to perform short-term measurements of higher-frequency components of acceleration, while an AIA would be used to provide consistent calibration of, and correction of errors in, the measurements of the conventional accelerometer in the lower-frequency range over the long term. A brief description of an AIA is prerequisite to a meaningful description of a system according to the proposal. An AIA includes a retroreflector next to one end of a cell that contains a cold cloud of atoms in an ultrahigh vacuum. The atoms in the cloud are in free fall. The retroreflector is mounted on the object, the acceleration of which is to be measured. Raman laser beams are directed through the cell from the end opposite the retroreflector, then pass back through the cell after striking the retroreflector. The Raman laser beams together with the cold atoms measure the relative acceleration, through the readout of the AIA, between the cold atoms and the retroreflector.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Torun, H.; Torello, D.; Degertekin, F. L.
2011-08-15
The authors describe a method of actuation for atomic force microscope (AFM) probes to improve imaging speed and displacement range simultaneously. Unlike conventional piezoelectric tube actuation, the proposed method involves a lever and fulcrum ''seesaw'' like actuation mechanism that uses a small, fast piezoelectric transducer. The lever arm of the seesaw mechanism increases the apparent displacement range by an adjustable gain factor, overcoming the standard tradeoff between imaging speed and displacement range. Experimental characterization of a cantilever holder implementing the method is provided together with comparative line scans obtained with contact mode imaging. An imaging bandwidth of 30 kHz inmore » air with the current setup was demonstrated.« less
Simultaneous multielement atomic absorption spectrometry with graphite furnace atomization
NASA Astrophysics Data System (ADS)
Harnly, James M.; Miller-Ihli, Nancy J.; O'Haver, Thomas C.
The extended analytical range capability of a simultaneous multielement atomic absorption continuum source spectrometer (SIMAAC) was tested for furnace atomization with respect to the signal measurement mode (peak height and area), the atomization mode (from the wall or from a platform), and the temperature program mode (stepped or ramped atomization). These parameters were evaluated with respect to the shapes of the analytical curves, the detection limits, carry-over contamination and accuracy. Peak area measurements gave more linear calibration curves. Methods for slowing the atomization step heating rate, the use of a ramped temperature program or a platform, produced similar calibration curves and longer linear ranges than atomization with a stepped temperature program. Peak height detection limits were best using stepped atomization from the wall. Peak area detection limits for all atomization modes were similar. Carry-over contamination was worse for peak area than peak height, worse for ramped atomization than stepped atomization, and worse for atomization from a platform than from the wall. Accurate determinations (100 ± 12% for Ca, Cu, Fe, Mn, and Zn in National Bureau of Standards' Standard Reference Materials Bovine Liver 1577 and Rice Flour 1568 were obtained using peak area measurements with ramped atomization from the wall and stepped atomization from a platform. Only stepped atomization from a platform gave accurate recoveries for K. Accurate recoveries, 100 ± 10%, with precisions ranging from 1 to 36 % (standard deviation), were obtained for the determination of Al, Co, Cr, Fe, Mn, Mo, Ni. Pb, V and Zn in Acidified Waters (NBS SRM 1643 and 1643a) using stepped atomization from a platform.
Leung, V Y F; Pijn, D R M; Schlatter, H; Torralbo-Campo, L; La Rooij, A L; Mulder, G B; Naber, J; Soudijn, M L; Tauschinsky, A; Abarbanel, C; Hadad, B; Golan, E; Folman, R; Spreeuw, R J C
2014-05-01
We describe the fabrication and construction of a setup for creating lattices of magnetic microtraps for ultracold atoms on an atom chip. The lattice is defined by lithographic patterning of a permanent magnetic film. Patterned magnetic-film atom chips enable a large variety of trapping geometries over a wide range of length scales. We demonstrate an atom chip with a lattice constant of 10 μm, suitable for experiments in quantum information science employing the interaction between atoms in highly excited Rydberg energy levels. The active trapping region contains lattice regions with square and hexagonal symmetry, with the two regions joined at an interface. A structure of macroscopic wires, cutout of a silver foil, was mounted under the atom chip in order to load ultracold (87)Rb atoms into the microtraps. We demonstrate loading of atoms into the square and hexagonal lattice sections simultaneously and show resolved imaging of individual lattice sites. Magnetic-film lattices on atom chips provide a versatile platform for experiments with ultracold atoms, in particular for quantum information science and quantum simulation.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Leung, V. Y. F.; Complex Photonic Systems; Pijn, D. R. M.
2014-05-15
We describe the fabrication and construction of a setup for creating lattices of magnetic microtraps for ultracold atoms on an atom chip. The lattice is defined by lithographic patterning of a permanent magnetic film. Patterned magnetic-film atom chips enable a large variety of trapping geometries over a wide range of length scales. We demonstrate an atom chip with a lattice constant of 10 μm, suitable for experiments in quantum information science employing the interaction between atoms in highly excited Rydberg energy levels. The active trapping region contains lattice regions with square and hexagonal symmetry, with the two regions joined atmore » an interface. A structure of macroscopic wires, cutout of a silver foil, was mounted under the atom chip in order to load ultracold {sup 87}Rb atoms into the microtraps. We demonstrate loading of atoms into the square and hexagonal lattice sections simultaneously and show resolved imaging of individual lattice sites. Magnetic-film lattices on atom chips provide a versatile platform for experiments with ultracold atoms, in particular for quantum information science and quantum simulation.« less
Fit Point-Wise AB Initio Calculation Potential Energies to a Multi-Dimension Long-Range Model
NASA Astrophysics Data System (ADS)
Zhai, Yu; Li, Hui; Le Roy, Robert J.
2016-06-01
A potential energy surface (PES) is a fundamental tool and source of understanding for theoretical spectroscopy and for dynamical simulations. Making correct assignments for high-resolution rovibrational spectra of floppy polyatomic and van der Waals molecules often relies heavily on predictions generated from a high quality ab initio potential energy surface. Moreover, having an effective analytic model to represent such surfaces can be as important as the ab initio results themselves. For the one-dimensional potentials of diatomic molecules, the most successful such model to date is arguably the ``Morse/Long-Range'' (MLR) function developed by R. J. Le Roy and coworkers. It is very flexible, is everywhere differentiable to all orders. It incorporates correct predicted long-range behaviour, extrapolates sensibly at both large and small distances, and two of its defining parameters are always the physically meaningful well depth {D}_e and equilibrium distance r_e. Extensions of this model, called the Multi-Dimension Morse/Long-Range (MD-MLR) function, linear molecule-linear molecule systems and atom-non-linear molecule system. have been applied successfully to atom-plus-linear molecule, linear molecule-linear molecule and atom-non-linear molecule systems. However, there are several technical challenges faced in modelling the interactions of general molecule-molecule systems, such as the absence of radial minima for some relative alignments, difficulties in fitting short-range potential energies, and challenges in determining relative-orientation dependent long-range coefficients. This talk will illustrate some of these challenges and describe our ongoing work in addressing them. Mol. Phys. 105, 663 (2007); J. Chem. Phys. 131, 204309 (2009); Mol. Phys. 109, 435 (2011). Phys. Chem. Chem. Phys. 10, 4128 (2008); J. Chem. Phys. 130, 144305 (2009) J. Chem. Phys. 132, 214309 (2010) J. Chem. Phys. 140, 214309 (2010)
The phonological neighbourhood effect on short-term memory for order.
Clarkson, L; Roodenrys, S; Miller, L M; Hulme, C
2017-03-01
There is a growing body of literature that suggests that long-term memory (LTM) and short-term memory (STM) structures that were once thought to be distinct are actually co-dependent, and that LTM can aid retrieval from STM. The mechanism behind this effect is commonly argued to act on item memory but not on order memory. The aim of the current study was to examine whether LTM could exert an influence on STM for order by examining an effect attributed to LTM, the phonological neighbourhood effect, in a task that reduced the requirement to retain item information. In Experiment 1, 18 participants completed a serial reconstruction task where neighbourhood density alternated within the lists. In Experiment 2, 22 participants completed a serial reconstruction task using pure lists of dense and sparse neighbourhood words. In Experiment 3, 22 participants completed a reconstruction task with both mixed and pure lists. There was a significant effect of neighbourhood density with better recall for dense than sparse neighbourhood words in pure lists but not in mixed lists. Results suggest that LTM exerts an influence prior to that proposed by many models of memory for order.
Programmable solid state atom sources for nanofabrication.
Han, Han; Imboden, Matthias; Stark, Thomas; del Corro, Pablo G; Pardo, Flavio; Bolle, Cristian A; Lally, Richard W; Bishop, David J
2015-06-28
In this paper we discuss the development of a MEMS-based solid state atom source that can provide controllable atom deposition ranging over eight orders of magnitude, from ten atoms per square micron up to hundreds of atomic layers, on a target ∼1 mm away. Using a micron-scale silicon plate as a thermal evaporation source we demonstrate the deposition of indium, silver, gold, copper, iron, aluminum, lead and tin. Because of their small sizes and rapid thermal response times, pulse width modulation techniques are a powerful way to control the atomic flux. Pulsing the source with precise voltages and timing provides control in terms of when and how many atoms get deposited. By arranging many of these devices into an array, one has a multi-material, programmable solid state evaporation source. These micro atom sources are a complementary technology that can enhance the capability of a variety of nano-fabrication techniques.
Bond-orientational order in liquid Si
NASA Technical Reports Server (NTRS)
Wang, Z. Q.; Stroud, D.
1991-01-01
Bond-orientational order in liquid Si via Monte Carlo simulation in conjuncation with empirical two- and three-body potentials of the form proposed by Stillinger and Weber are studied. Bond-orientational order (BOO) is described in terms of combinations of spherical harmonic functions. Liquid Si is found to have pronounced short-range BOO corresponding to l = 3, as expected for a structure with local tetrahedral order. No long-range BOO is found either in the equilibrium or the supercooled liquid. When the three-body potential is artificially removed, the tetrahedral bond-orientation order disappears and the liquid assumes a close-packed structure.
Zhao, Bingge; Yang, Bin; Abyzov, Alexander S; Schmelzer, Jürn W P; Rodríguez-Viejo, Javier; Zhai, Qijie; Schick, Christoph; Gao, Yulai
2017-12-13
In this paper, the amorphous Ce 68 Al 10 Cu 20 Co 2 (atom %) alloy was in situ prepared by nanocalorimetry. The high cooling and heating rates accessible with this technique facilitate the suppression of crystallization on cooling and the identification of homogeneous nucleation. Different from the generally accepted notion that metallic glasses form just by avoiding crystallization, the role of nucleation and growth in the crystallization behavior of amorphous alloys is specified, allowing an access to the ideal metallic glass free of nuclei. Local atomic configurations are fundamentally significant to unravel the glass forming ability (GFA) and phase transitions in metallic glasses. For this reason, isothermal annealing near T g from 0.001 s to 25,000 s following quenching becomes the strategy to tune local atomic configurations and facilitate an amorphous alloy, a mixed glassy-nanocrystalline state, and a crystalline sample successively. On the basis of the evolution of crystallization enthalpy and overall latent heat on reheating, we quantify the underlying mechanism for the isothermal nucleation and crystallization of amorphous alloys. With Johnson-Mehl-Avrami method, it is demonstrated that the coexistence of homogeneous and heterogeneous nucleation contributes to the isothermal crystallization of glass. Heterogeneous rather than homogeneous nucleation dominates the isothermal crystallization of the undercooled liquid. For the mixed glassy-nanocrystalline structure, an extraordinary kinetic stability of the residual glass is validated, which is ascribed to the denser packed interface between amorphous phase and ordered nanocrystals. Tailoring the amorphous structure by nanocalorimetry permits new insights into unraveling GFA and the mechanism that correlates local atomic configurations and phase transitions in metallic glasses.
Highly sensitive atomic based MW interferometry.
Shylla, Dangka; Nyakang'o, Elijah Ogaro; Pandey, Kanhaiya
2018-06-06
We theoretically study a scheme to develop an atomic based micro-wave (MW) interferometry using the Rydberg states in Rb. Unlike the traditional MW interferometry, this scheme is not based upon the electrical circuits, hence the sensitivity of the phase and the amplitude/strength of the MW field is not limited by the Nyquist thermal noise. Further, this system has great advantage due to its much higher frequency range in comparision to the electrical circuit, ranging from radio frequency (RF), MW to terahertz regime. In addition, this is two orders of magnitude more sensitive to field strength as compared to the prior demonstrations on the MW electrometry using the Rydberg atomic states. Further, previously studied atomic systems are only sensitive to the field strength but not to the phase and hence this scheme provides a great opportunity to characterize the MW completely including the propagation direction and the wavefront. The atomic based MW interferometry is based upon a six-level loopy ladder system involving the Rydberg states in which two sub-systems interfere constructively or destructively depending upon the phase between the MW electric fields closing the loop. This work opens up a new field i.e. atomic based MW interferometry replacing the conventional electrical circuit in much superior fashion.
Exploiting orbital effects for short-range extravehicular transfers
NASA Astrophysics Data System (ADS)
Williams, Trevor; Baughman, David
The problem studied in this paper is that of using Simplified Aid for Extravehicular Activity (EVA) Rescue (SAFER) to carry out efficient short-range transfers from the payload bay of the Space Shuttle Orbiter to the vicinity of the underside of the vehicle, for instance for inspection and repair of thermal tiles or umbilical doors. Trajectories are shown to exist, for the shuttle flying noise forward and belly down, that take the astronaut to the vicinity of the underside with no thrusting after the initial push-off. However, these trajectories are too slow to be of practical interest, as they take roughly an hour to execute. Additionally, they are quite sensitive to errors in the initial push-off rates. To overcome both of these difficulties, trajectories are then studied which include a single in-flight impulse of small magnitude ( in the range 0.1 - 0.4 fps). For operational simplicity, this impulse is applied towards the Orbiter at the moment when the line-of -sight of the EVA crewmember is tangential to the underside of the vehicle. These trajectories are considerably faster than the non-impulsive ones: transit times of less than 10 minutes are achievable. Furthermore, the man-in-the-loop feedback scheme used for impulse timing greatly reduces the sensitivity to initial velocity errors. Finally, similar one-impulse trajectories are also shown to exist for the Orbiter in a gravity-gradient attitiude.
Exploiting orbital effects for short-range extravehicular transfers
NASA Technical Reports Server (NTRS)
Williams, Trevor; Baughman, David
1993-01-01
The problem studied in this paper is that of using Simplified Aid for Extravehicular Activity (EVA) Rescue (SAFER) to carry out efficient short-range transfers from the payload bay of the Space Shuttle Orbiter to the vicinity of the underside of the vehicle, for instance for inspection and repair of thermal tiles or umbilical doors. Trajectories are shown to exist, for the shuttle flying noise forward and belly down, that take the astronaut to the vicinity of the underside with no thrusting after the initial push-off. However, these trajectories are too slow to be of practical interest, as they take roughly an hour to execute. Additionally, they are quite sensitive to errors in the initial push-off rates. To overcome both of these difficulties, trajectories are then studied which include a single in-flight impulse of small magnitude ( in the range 0.1 - 0.4 fps). For operational simplicity, this impulse is applied towards the Orbiter at the moment when the line-of -sight of the EVA crewmember is tangential to the underside of the vehicle. These trajectories are considerably faster than the non-impulsive ones: transit times of less than 10 minutes are achievable. Furthermore, the man-in-the-loop feedback scheme used for impulse timing greatly reduces the sensitivity to initial velocity errors. Finally, similar one-impulse trajectories are also shown to exist for the Orbiter in a gravity-gradient attitiude.
Predicted Sensitivity for Tests of Short-range Gravity with a Novel Parallel-plate Torsion Pendulum
NASA Astrophysics Data System (ADS)
Richards, Matthew; Baxley, Brandon; Hoyle, C. D.; Leopardi, Holly; Shook, David
2011-11-01
The parallel-plate torsion pendulum apparatus at Humboldt State University is designed to test the Weak Equivalence Principle (WEP) and the gravitational inverse-square law (ISL) of General Relativity at unprecedented levels in the sub-millimeter regime. Some versions of String Theory predict additional dimensions that might affect the gravitational inverse-square law (ISL) at sub-millimeter levels. Some models also predict the existence of unobserved subatomic particles, which if exist, could cause a violation in the WEP at short distances. Short-range tests of gravity and the WEP are also instrumental in investigating possible proposed mechanisms that attempt to explain the accelerated expansion of the universe, generally attributed to Dark Energy. The weakness of the gravitational force makes measurement very difficult at small scales. Testing such a minimal force requires highly isolated experimental systems and precise measurement and control instrumentation. Moreover, a dedicated test of the WEP has not been performed below the millimeter scale. This talk will discuss the improved sensitivity that we expect to achieve in short-range gravity tests with respect to previous efforts that employ different experimental configurations.
Hinrichs, Ruth; Frank, Paulo Ricardo Ost; Vasconcellos, M A Z
2017-03-01
Modifications of cotton and polyester textiles due to shots fired at short range were analyzed with a variable pressure scanning electron microscope (VP-SEM). Different mechanisms of fiber rupture as a function of fiber type and shooting distance were detected, namely fusing, melting, scorching, and mechanical breakage. To estimate the firing distance, the approximately exponential decay of GSR coverage as a function of radial distance from the entrance hole was determined from image analysis, instead of relying on chemical analysis with EDX, which is problematic in the VP-SEM. A set of backscattered electron images, with sufficient magnification to discriminate micrometer wide GSR particles, was acquired at different radial distances from the entrance hole. The atomic number contrast between the GSR particles and the organic fibers allowed to find a robust procedure to segment the micrographs into binary images, in which the white pixel count was attributed to GSR coverage. The decrease of the white pixel count followed an exponential decay, and it was found that the reciprocal of the decay constant, obtained from the least-square fitting of the coverage data, showed a linear dependence on the shooting distance. Copyright © 2017 Elsevier Ireland Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Assi, I. A.; Sous, A. J.
2018-05-01
The goal of this work is to derive a new class of short-range potentials that could have a wide range of physical applications, specially in molecular physics. The tridiagonal representation approach has been developed beyond its limitations to produce new potentials by requiring the representation of the Schrödinger wave operator to be multidiagonal and symmetric. This produces a family of Hulthén potentials that has a specific structure, as mentioned in the introduction. As an example, we have solved the nonrelativistic wave equation for the new four-parameter short-range screening potential numerically using the asymptotic iteration method, where we tabulated the eigenvalues for both s -wave and arbitrary l -wave cases in tables.
Electron spin resonance for the detection of long-range spin nematic order
NASA Astrophysics Data System (ADS)
Furuya, Shunsuke C.; Momoi, Tsutomu
2018-03-01
Spin nematic phase is a quantum magnetic phase characterized by a quadrupolar order parameter. Since the quadrupole operators are directly coupled to neither the magnetic field nor the neutron, currently, it is an important issue to develop a method for detecting the long-range spin nematic order. In this paper, we propose that electron spin resonance (ESR) measurements enable us to detect the long-range spin nematic order. We show that the frequency of the paramagnetic resonance peak in the ESR spectrum is shifted by the ferroquadrupolar order parameter together with other quantities. The ferroquadrupolar order parameter is extractable from the angular dependence of the frequency shift. In contrast, the antiferroquadrupolar order parameter is usually invisible in the frequency shift. Instead, the long-range antiferroquadrupolar order yields a characteristic resonance peak in the ESR spectrum, which we call a magnon-pair resonance peak. This resonance corresponds to the excitation of the bound magnon pair at the wave vector k =0 . Reflecting the condensation of bound magnon pairs, the field dependence of the magnon-pair resonance frequency shows a singular upturn at the saturation field. Moreover, the intensity of the magnon-pair resonance peak shows a characteristic angular dependence and it vanishes when the magnetic field is parallel to one of the axes that diagonalize the weak anisotropic interactions. We confirm these general properties of the magnon-pair resonance peak in the spin nematic phase by studying an S =1 bilinear-biquadratic model on the square lattice in the linear flavor-wave approximation. In addition, we argue applications to the S =1/2 frustrated ferromagnets and also the S =1/2 orthogonal dimer spin system SrCu2(BO3)2, both of which are candidate materials of spin nematics. Our theory for the antiferroquadrupolar ordered phase is consistent with many features of the magnon-pair resonance peak experimentally observed in the low
Renaud, J; Rossomme, S; Sarfehnia, A; Vynckier, S; Palmans, H; Kacperek, A; Seuntjens, J
2016-09-21
In this work, we describe a new design of water calorimeter built to measure absorbed dose in non-standard radiation fields with reference depths in the range of 6-20 mm, and its initial testing in clinical electron and proton beams. A functioning calorimeter prototype with a total water equivalent thickness of less than 30 mm was constructed in-house and used to obtain measurements in clinical accelerator-based 6 MeV and 8 MeV electron beams and cyclotron-based 60 MeV monoenergetic and modulated proton beams. Corrections for the conductive heat transfer due to dose gradients and non-water materials was also accounted for using a commercial finite element method software package. Absorbed dose to water was measured with an associated type A standard uncertainty of approximately 0.4% and 0.2% for the electron and proton beam experiments, respectively. In terms of thermal stability, drifts were on the order of a couple of hundred µK min -1 , with a short-term variation of 5-10 µK. Heat transfer correction factors ranged between 1.021 and 1.049. The overall combined standard uncertainty on the absorbed dose to water was estimated to be 0.6% for the 6 MeV and 8 MeV electron beams, as well as for the 60 MeV monoenergetic protons, and 0.7% for the modulated 60 MeV proton beam. This study establishes the feasibility of developing an absorbed dose transfer standard for short-range clinical electrons and protons and forms the basis for a transportable dose standard for direct calibration of ionization chambers in the user's beam. The largest contributions to the combined standard uncertainty were the positioning (⩽0.5%) and the correction due to conductive heat transfer (⩽0.4%). This is the first time that water calorimetry has been used in such a low energy proton beam.
NASA Astrophysics Data System (ADS)
Renaud, J.; Rossomme, S.; Sarfehnia, A.; Vynckier, S.; Palmans, H.; Kacperek, A.; Seuntjens, J.
2016-09-01
In this work, we describe a new design of water calorimeter built to measure absorbed dose in non-standard radiation fields with reference depths in the range of 6-20 mm, and its initial testing in clinical electron and proton beams. A functioning calorimeter prototype with a total water equivalent thickness of less than 30 mm was constructed in-house and used to obtain measurements in clinical accelerator-based 6 MeV and 8 MeV electron beams and cyclotron-based 60 MeV monoenergetic and modulated proton beams. Corrections for the conductive heat transfer due to dose gradients and non-water materials was also accounted for using a commercial finite element method software package. Absorbed dose to water was measured with an associated type A standard uncertainty of approximately 0.4% and 0.2% for the electron and proton beam experiments, respectively. In terms of thermal stability, drifts were on the order of a couple of hundred µK min-1, with a short-term variation of 5-10 µK. Heat transfer correction factors ranged between 1.021 and 1.049. The overall combined standard uncertainty on the absorbed dose to water was estimated to be 0.6% for the 6 MeV and 8 MeV electron beams, as well as for the 60 MeV monoenergetic protons, and 0.7% for the modulated 60 MeV proton beam. This study establishes the feasibility of developing an absorbed dose transfer standard for short-range clinical electrons and protons and forms the basis for a transportable dose standard for direct calibration of ionization chambers in the user’s beam. The largest contributions to the combined standard uncertainty were the positioning (⩽0.5%) and the correction due to conductive heat transfer (⩽0.4%). This is the first time that water calorimetry has been used in such a low energy proton beam.
Jiménez, Felipe; Naranjo, Jose Eugenio; Serradilla, Francisco; Pérez, Elisa; Hernández, María Jose; Ruiz, Trinidad; Anaya, José Javier; Díaz, Alberto
2016-01-01
Inappropriate speed is a relevant concurrent factor in many traffic accidents. Moreover, in recent years, traffic accidents numbers in Spain have fallen sharply, but this reduction has not been so significant on single carriageway roads. These infrastructures have less equipment than high-capacity roads, therefore measures to reduce accidents on them should be implemented in vehicles. This article describes the development and analysis of the impact on the driver of a warning system for the safe speed on each road section in terms of geometry, the presence of traffic jams, weather conditions, type of vehicle and actual driving conditions. This system is based on an application for smartphones and includes knowledge of the vehicle position via Ground Positioning System (GPS), access to intravehicular information from onboard sensors through the Controller Area Network (CAN) bus, vehicle data entry by the driver, access to roadside information (short-range communications) and access to a centralized server with information about the road in the current and following sections of the route (long-range communications). Using this information, the system calculates the safe speed, recommends the appropriate speed in advance in the following sections and provides warnings to the driver. Finally, data are sent from vehicles to a server to generate new information to disseminate to other users or to supervise drivers’ behaviour. Tests in a driving simulator have been used to define the system warnings and Human Machine Interface (HMI) and final tests have been performed on real roads in order to analyze the effect of the system on driver behavior. PMID:26805839
Zhang, Yijun; Liu, Ming; Peng, Bin; ...
2016-01-27
Highly-ordered and conformal iron oxide nanotube arrays on an atomic scale are successfully prepared by atomic layer deposition (ALD) with controlled oxidization states and tunable magnetic properties between superparamagnetism and ferrimagnetism. Non-magnetic α-Fe 2O 3 and superparamagnetic Fe 2O 3with a blocking temperature of 120 K are in-situ obtained by finely controlling the oxidation reaction. Both of them exhibit a very small grain size of only several nanometers due to the nature of atom-by-atom growth of the ALD technique. Post-annealing α-Fe 2O 3 in a reducing atmosphere leads to the formation of the spinel Fe 3O 4 phase which displaysmore » a distinct ferrimagnetic anisotropy and the Verwey metal-insulator transition that usually takes place only in single crystal magnetite or thick epitaxial films at low temperatures. Finally, the ALD deposition of iron oxide with well-controlled phase and tunable magnetism demonstrated in this work provides a promising opportunity for the fabrication of 3D nano-devices to be used in catalysis, spintronics, microelectronics, data storages and bio-applications.« less
Frandsen, Benjamin A.; Billinge, Simon J. L.; Ross, Kathryn A.; ...
2017-12-29
Here, we present time-of-flight neutron total scattering and polarized neutron scattering measurements of the magnetically frustrated compounds NaCaCo 2F 7 and NaSrCo 2F 7, which belong to a class of recently discovered pyrochlore compounds based on transition metals and fluorine. The magnetic pair distribution function (mPDF) technique is used to analyze and model the total scattering data in real space. We find that a previously-proposed model of short-range XY-like correlations with a length scale of 10-15 Å, combined with nearest-neighbor collinear antiferromagnetic correlations, accurately describes the mPDF data at low temperature, confirming the magnetic ground state in these materials. Thismore » model is further verified by the polarized neutron scattering data. From an analysis of the temperature dependence of the mPDF and polarized neutron scattering data, we find that short-range correlations persist on the nearest-neighbor length scale up to 200 K, approximately two orders of magnitude higher than the spin freezing temperatures of these compounds. These results highlight the opportunity presented by these new pyrochlore compounds to study the effects of geometric frustration at relatively high temperatures, while also advancing the mPDF technique and providing a novel opportunity to investigate a genuinely short-range-ordered magnetic ground state directly in real space.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Frandsen, Benjamin A.; Billinge, Simon J. L.; Ross, Kathryn A.
Here, we present time-of-flight neutron total scattering and polarized neutron scattering measurements of the magnetically frustrated compounds NaCaCo 2F 7 and NaSrCo 2F 7, which belong to a class of recently discovered pyrochlore compounds based on transition metals and fluorine. The magnetic pair distribution function (mPDF) technique is used to analyze and model the total scattering data in real space. We find that a previously-proposed model of short-range XY-like correlations with a length scale of 10-15 Å, combined with nearest-neighbor collinear antiferromagnetic correlations, accurately describes the mPDF data at low temperature, confirming the magnetic ground state in these materials. Thismore » model is further verified by the polarized neutron scattering data. From an analysis of the temperature dependence of the mPDF and polarized neutron scattering data, we find that short-range correlations persist on the nearest-neighbor length scale up to 200 K, approximately two orders of magnitude higher than the spin freezing temperatures of these compounds. These results highlight the opportunity presented by these new pyrochlore compounds to study the effects of geometric frustration at relatively high temperatures, while also advancing the mPDF technique and providing a novel opportunity to investigate a genuinely short-range-ordered magnetic ground state directly in real space.« less
NASA Astrophysics Data System (ADS)
Frandsen, Benjamin A.; Ross, Kate A.; Krizan, Jason W.; Nilsen, Gøran J.; Wildes, Andrew R.; Cava, Robert J.; Birgeneau, Robert J.; Billinge, Simon J. L.
2017-12-01
We present time-of-flight neutron total scattering and polarized neutron scattering measurements of the magnetically frustrated compounds NaCaCo2F7 and NaSrCo2F7 , which belong to a class of recently discovered pyrochlore compounds based on transition metals and fluorine. The magnetic pair distribution function (mPDF) technique is used to analyze and model the total scattering data in real space. We find that a previously proposed model of short-range XY-like correlations with a length scale of 10-15 Å, combined with nearest-neighbor collinear antiferromagnetic correlations, accurately describes the mPDF data at low temperature, confirming the magnetic ground state in these materials. This model is further verified by the polarized neutron scattering data. From an analysis of the temperature dependence of the mPDF and polarized neutron scattering data, we find that short-range correlations persist on the nearest-neighbor length scale up to 200 K, approximately two orders of magnitude higher than the spin freezing temperatures of these compounds. These results highlight the opportunity presented by these new pyrochlore compounds to study the effects of geometric frustration at relatively high temperatures, while also advancing the mPDF technique and providing an opportunity to investigate a genuinely short-range-ordered magnetic ground state directly in real space.
Ikuta, Rikizo; Kobayashi, Toshiki; Kawakami, Tetsuo; Miki, Shigehito; Yabuno, Masahiro; Yamashita, Taro; Terai, Hirotaka; Koashi, Masato; Mukai, Tetsuya; Yamamoto, Takashi; Imoto, Nobuyuki
2018-05-21
Long-lifetime quantum storages accessible to the telecom photonic infrastructure are essential to long-distance quantum communication. Atomic quantum storages have achieved subsecond storage time corresponding to 1000 km transmission time for a telecom photon through a quantum repeater algorithm. However, the telecom photon cannot be directly interfaced to typical atomic storages. Solid-state quantum frequency conversions fill this wavelength gap. Here we report on the experimental demonstration of a polarization-insensitive solid-state quantum frequency conversion to a telecom photon from a short-wavelength photon entangled with an atomic ensemble. Atom-photon entanglement has been generated with a Rb atomic ensemble and the photon has been translated to telecom range while retaining the entanglement by our nonlinear-crystal-based frequency converter in a Sagnac interferometer.
Qin, Heng; Zuo, Yong; Zhang, Dong; Li, Yinghui; Wu, Jian
2017-03-06
Through slight modification on typical photon multiplier tube (PMT) receiver output statistics, a generalized received response model considering both scattered propagation and random detection is presented to investigate the impact of inter-symbol interference (ISI) on link data rate of short-range non-line-of-sight (NLOS) ultraviolet communication. Good agreement with the experimental results by numerical simulation is shown. Based on the received response characteristics, a heuristic check matrix construction algorithm of low-density-parity-check (LDPC) code is further proposed to approach the data rate bound derived in a delayed sampling (DS) binary pulse position modulation (PPM) system. Compared to conventional LDPC coding methods, better bit error ratio (BER) below 1E-05 is achieved for short-range NLOS UVC systems operating at data rate of 2Mbps.
Jana, Subrata; Samal, Prasanjit
2018-03-28
The range-separated hybrid density functionals are very successful in describing a wide range of molecular and solid-state properties accurately. In principle, such functionals are designed from spherically averaged or system averaged as well as reverse engineered exchange holes. In the present attempt, the screened range-separated hybrid functional scheme has been applied to the meta-GGA rung by using the density matrix expansion based semilocal exchange hole (or functional). The hybrid functional proposed here utilizes the spherically averaged density matrix expansion based exchange hole in the range separation scheme. For slowly varying density correction the range separation scheme is employed only through the local density approximation based exchange hole coupled with the corresponding fourth order gradient approximate Tao-Mo enhancement factor. The comprehensive testing and performance of the newly constructed functional indicates its applicability in describing several molecular properties. The most appealing feature of this present screened hybrid functional is that it will be practically very useful in describing solid-state properties at the meta-GGA level.
ARC: An open-source library for calculating properties of alkali Rydberg atoms
NASA Astrophysics Data System (ADS)
Šibalić, N.; Pritchard, J. D.; Adams, C. S.; Weatherill, K. J.
2017-11-01
We present an object-oriented Python library for the computation of properties of highly-excited Rydberg states of alkali atoms. These include single-body effects such as dipole matrix elements, excited-state lifetimes (radiative and black-body limited) and Stark maps of atoms in external electric fields, as well as two-atom interaction potentials accounting for dipole and quadrupole coupling effects valid at both long and short range for arbitrary placement of the atomic dipoles. The package is cross-referenced to precise measurements of atomic energy levels and features extensive documentation to facilitate rapid upgrade or expansion by users. This library has direct application in the field of quantum information and quantum optics which exploit the strong Rydberg dipolar interactions for two-qubit gates, robust atom-light interfaces and simulating quantum many-body physics, as well as the field of metrology using Rydberg atoms as precise microwave electrometers. Program Files doi:http://dx.doi.org/10.17632/hm5n8w628c.1 Licensing provisions: BSD-3-Clause Programming language: Python 2.7 or 3.5, with C extension External Routines: NumPy [1], SciPy [1], Matplotlib [2] Nature of problem: Calculating atomic properties of alkali atoms including lifetimes, energies, Stark shifts and dipole-dipole interaction strengths using matrix elements evaluated from radial wavefunctions. Solution method: Numerical integration of radial Schrödinger equation to obtain atomic wavefunctions, which are then used to evaluate dipole matrix elements. Properties are calculated using second order perturbation theory or exact diagonalisation of the interaction Hamiltonian, yielding results valid even at large external fields or small interatomic separation. Restrictions: External electric field fixed to be parallel to quantisation axis. Supplementary material: Detailed documentation (.html), and Jupyter notebook with examples and benchmarking runs (.html and .ipynb). [1] T.E. Oliphant
NASA Astrophysics Data System (ADS)
Pal'Chikov, V. G.
2000-08-01
A quantum-electrodynamical (QED) perturbation theory is developed for hydrogen and hydrogen-like atomic systems with interaction between bound electrons and radiative field being treated as the perturbation. The dependence of the perturbed energy of levels on hyperfine structure (hfs) effects and on the higher-order Stark effect is investigated. Numerical results have been obtained for the transition probability between the hfs components of hydrogen-like bismuth.
Fabrication of electron beam deposited tip for atomic-scale atomic force microscopy in liquid.
Miyazawa, K; Izumi, H; Watanabe-Nakayama, T; Asakawa, H; Fukuma, T
2015-03-13
Recently, possibilities of improving operation speed and force sensitivity in atomic-scale atomic force microscopy (AFM) in liquid using a small cantilever with an electron beam deposited (EBD) tip have been intensively explored. However, the structure and properties of an EBD tip suitable for such an application have not been well-understood and hence its fabrication process has not been established. In this study, we perform atomic-scale AFM measurements with a small cantilever and clarify two major problems: contaminations from a cantilever and tip surface, and insufficient mechanical strength of an EBD tip having a high aspect ratio. To solve these problems, here we propose a fabrication process of an EBD tip, where we attach a 2 μm silica bead at the cantilever end and fabricate a 500-700 nm EBD tip on the bead. The bead height ensures sufficient cantilever-sample distance and enables to suppress long-range interaction between them even with a short EBD tip having high mechanical strength. After the tip fabrication, we coat the whole cantilever and tip surface with Si (30 nm) to prevent the generation of contamination. We perform atomic-scale AFM imaging and hydration force measurements at a mica-water interface using the fabricated tip and demonstrate its applicability to such an atomic-scale application. With a repeated use of the proposed process, we can reuse a small cantilever for atomic-scale measurements for several times. Therefore, the proposed method solves the two major problems and enables the practical use of a small cantilever in atomic-scale studies on various solid-liquid interfacial phenomena.
NASA Astrophysics Data System (ADS)
Ji, Sungchul
A new mathematical formula referred to as the Planckian distribution equation (PDE) has been found to fit long-tailed histograms generated in various fields of studies, ranging from atomic physics to single-molecule enzymology, cell biology, brain neurobiology, glottometrics, econophysics, and to cosmology. PDE can be derived from a Gaussian-like equation (GLE) by non-linearly transforming its variable, x, while keeping the y coordinate constant. Assuming that GLE represents a random distribution (due to its symmetry), it is possible to define a binary logarithm of the ratio between the areas under the curves of PDE and GLE as a measure of the non-randomness (or order) underlying the biophysicochemical processes generating long-tailed histograms that fit PDE. This new function has been named the Planckian information, IP, which (i) may be a new measure of order that can be applied widely to both natural and human sciences and (ii) can serve as the opposite of the Boltzmann-Gibbs entropy, S, which is a measure of disorder. The possible rationales for the universality of PDE may include (i) the universality of the wave-particle duality embedded in PDE, (ii) the selection of subsets of random processes (thereby breaking the symmetry of GLE) as the basic mechanism of generating order, organization, and function, and (iii) the quantity-quality complementarity as the connection between PDE and Peircean semiotics.
A short response time atomic source for trapped ion experiments
NASA Astrophysics Data System (ADS)
Ballance, T. G.; Goodwin, J. F.; Nichol, B.; Stephenson, L. J.; Ballance, C. J.; Lucas, D. M.
2018-05-01
Ion traps are often loaded from atomic beams produced by resistively heated ovens. We demonstrate an atomic oven which has been designed for fast control of the atomic flux density and reproducible construction. We study the limiting time constants of the system and, in tests with 40Ca, show that we can reach the desired level of flux in 12 s, with no overshoot. Our results indicate that it may be possible to achieve an even faster response by applying an appropriate one-off heat treatment to the oven before it is used.
Soviet short-range nuclear forces: flexible response or flexible aggression. Student essay
DOE Office of Scientific and Technical Information (OSTI.GOV)
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.
Composition-dependent stability of the medium-range order responsible for metallic glass formation
Zhang, Feng; Ji, Min; Fang, Xiao-Wei; ...
2014-09-18
The competition between the characteristic medium-range order corresponding to amorphous alloys and that in ordered crystalline phases is central to phase selection and morphology evolution under various processing conditions. We examine the stability of a model glass system, Cu–Zr, by comparing the energetics of various medium-range structural motifs over a wide range of compositions using first-principles calculations. Furthermore, we focus specifically on motifs that represent possible building blocks for competing glassy and crystalline phases, and we employ a genetic algorithm to efficiently identify the energetically favored decorations of each motif for specific compositions. These results show that a Bergman-type motifmore » with crystallization-resisting icosahedral symmetry is energetically most favorable in the composition range 0.63 < xCu < 0.68, and is the underlying motif for one of the three optimal glass-forming ranges observed experimentally for this binary system (Li et al., 2008). This work establishes an energy-based methodology to evaluate specific medium-range structural motifs which compete with stable crystalline nuclei in deeply undercooled liquids.« less
Robust model predictive control for multi-step short range spacecraft rendezvous
NASA Astrophysics Data System (ADS)
Zhu, Shuyi; Sun, Ran; Wang, Jiaolong; Wang, Jihe; Shao, Xiaowei
2018-07-01
This work presents a robust model predictive control (MPC) approach for the multi-step short range spacecraft rendezvous problem. During the specific short range phase concerned, the chaser is supposed to be initially outside the line-of-sight (LOS) cone. Therefore, the rendezvous process naturally includes two steps: the first step is to transfer the chaser into the LOS cone and the second step is to transfer the chaser into the aimed region with its motion confined within the LOS cone. A novel MPC framework named after Mixed MPC (M-MPC) is proposed, which is the combination of the Variable-Horizon MPC (VH-MPC) framework and the Fixed-Instant MPC (FI-MPC) framework. The M-MPC framework enables the optimization for the two steps to be implemented jointly rather than to be separated factitiously, and its computation workload is acceptable for the usually low-power processors onboard spacecraft. Then considering that disturbances including modeling error, sensor noise and thrust uncertainty may induce undesired constraint violations, a robust technique is developed and it is attached to the above M-MPC framework to form a robust M-MPC approach. The robust technique is based on the chance-constrained idea, which ensures that constraints can be satisfied with a prescribed probability. It improves the robust technique proposed by Gavilan et al., because it eliminates the unnecessary conservativeness by explicitly incorporating known statistical properties of the navigation uncertainty. The efficacy of the robust M-MPC approach is shown in a simulation study.
Long range order and two-fluid behavior in heavy electron materials
Shirer, Kent R.; Shockley, Abigail C.; Dioguardi, Adam P.; ...
2012-09-24
The heavy electron Kondo liquid is an emergent state of condensed matter that displays universal behavior independent of material details. Properties of the heavy electron liquid are best probed by NMR Knight shift measurements, which provide a direct measure of the behavior of the heavy electron liquid that emerges below the Kondo lattice coherence temperature as the lattice of local moments hybridizes with the background conduction electrons. Because the transfer of spectral weight between the localized and itinerant electronic degrees of freedom is gradual, the Kondo liquid typically coexists with the local moment component until the material orders at lowmore » temperatures. The two-fluid formula captures this behavior in a broad range of materials in the paramagnetic state. In order to investigate two-fluid behavior and the onset and physical origin of different long range ordered ground states in heavy electron materials, we have extended Knight shift measurements to URu 2Si 2, CeIrIn 5, and CeRhIn 5. In CeRhIn 5 we find that the antiferromagnetic order is preceded by a relocalization of the Kondo liquid, providing independent evidence for a local moment origin of antiferromagnetism. In URu 2Si 2 the hidden order is shown to emerge directly from the Kondo liquid and so is not associated with local moment physics. Lastly, our results imply that the nature of the ground state is strongly coupled with the hybridization in the Kondo lattice in agreement with phase diagram proposed by Yang and Pines.« less
Fundamental limitations of cavity-assisted atom interferometry
NASA Astrophysics Data System (ADS)
Dovale-Álvarez, M.; Brown, D. D.; Jones, A. W.; Mow-Lowry, C. M.; Miao, H.; Freise, A.
2017-11-01
Atom interferometers employing optical cavities to enhance the beam splitter pulses promise significant advances in science and technology, notably for future gravitational wave detectors. Long cavities, on the scale of hundreds of meters, have been proposed in experiments aiming to observe gravitational waves with frequencies below 1 Hz, where laser interferometers, such as LIGO, have poor sensitivity. Alternatively, short cavities have also been proposed for enhancing the sensitivity of more portable atom interferometers. We explore the fundamental limitations of two-mirror cavities for atomic beam splitting, and establish upper bounds on the temperature of the atomic ensemble as a function of cavity length and three design parameters: the cavity g factor, the bandwidth, and the optical suppression factor of the first and second order spatial modes. A lower bound to the cavity bandwidth is found which avoids elongation of the interaction time and maximizes power enhancement. An upper limit to cavity length is found for symmetric two-mirror cavities, restricting the practicality of long baseline detectors. For shorter cavities, an upper limit on the beam size was derived from the geometrical stability of the cavity. These findings aim to aid the design of current and future cavity-assisted atom interferometers.
Optimization of Neutral Atom Imagers
NASA Technical Reports Server (NTRS)
Shappirio, M.; Coplan, M.; Balsamo, E.; Chornay, D.; Collier, M.; Hughes, P.; Keller, J.; Ogilvie, K.; Williams, E.
2008-01-01
The interactions between plasma structures and neutral atom populations in interplanetary space can be effectively studied with energetic neutral atom imagers. For neutral atoms with energies less than 1 keV, the most efficient detection method that preserves direction and energy information is conversion to negative ions on surfaces. We have examined a variety of surface materials and conversion geometries in order to identify the factors that determine conversion efficiency. For chemically and physically stable surfaces smoothness is of primary importance while properties such as work function have no obvious correlation to conversion efficiency. For the noble metals, tungsten, silicon, and graphite with comparable smoothness, conversion efficiency varies by a factor of two to three. We have also examined the way in which surface conversion efficiency varies with the angle of incidence of the neutral atom and have found that the highest efficiencies are obtained at angles of incidence greater then 80deg. The conversion efficiency of silicon, tungsten and graphite were examined most closely and the energy dependent variation of conversion efficiency measured over a range of incident angles. We have also developed methods for micromachining silicon in order to reduce the volume to surface area over that of a single flat surface and have been able to reduce volume to surface area ratios by up to a factor of 60. With smooth micro-machined surfaces of the optimum geometry, conversion efficiencies can be increased by an order of magnitude over instruments like LENA on the IMAGE spacecraft without increase the instruments mass or volume.
Gladysz, Rafaela; Dos Santos, Fabio Mendes; Langenaeker, Wilfried; Thijs, Gert; Augustyns, Koen; De Winter, Hans
2018-03-07
Spectrophores are novel descriptors that are calculated from the three-dimensional atomic properties of molecules. In our current implementation, the atomic properties that were used to calculate spectrophores include atomic partial charges, atomic lipophilicity indices, atomic shape deviations and atomic softness properties. This approach can easily be widened to also include additional atomic properties. Our novel methodology finds its roots in the experimental affinity fingerprinting technology developed in the 1990's by Terrapin Technologies. Here we have translated it into a purely virtual approach using artificial affinity cages and a simplified metric to calculate the interaction between these cages and the atomic properties. A typical spectrophore consists of a vector of 48 real numbers. This makes it highly suitable for the calculation of a wide range of similarity measures for use in virtual screening and for the investigation of quantitative structure-activity relationships in combination with advanced statistical approaches such as self-organizing maps, support vector machines and neural networks. In our present report we demonstrate the applicability of our novel methodology for scaffold hopping as well as virtual screening.
Interpretation of frequency modulation atomic force microscopy in terms of fractional calculus
NASA Astrophysics Data System (ADS)
Sader, John E.; Jarvis, Suzanne P.
2004-07-01
It is widely recognized that small amplitude frequency modulation atomic force microscopy probes the derivative of the interaction force between tip and sample. For large amplitudes, however, such a physical connection is currently lacking, although it has been observed that the frequency shift presents a quantity intermediate to the interaction force and energy for certain force laws. Here we prove that these observations are a universal property of large amplitude frequency modulation atomic force microscopy, by establishing that the frequency shift is proportional to the half-fractional integral of the force, regardless of the force law. This finding indicates that frequency modulation atomic force microscopy can be interpreted as a fractional differential operator, where the order of the derivative/integral is dictated by the oscillation amplitude. We also establish that the measured frequency shift varies systematically from a probe of the force gradient for small oscillation amplitudes, through to the measurement of a quantity intermediate to the force and energy (the half-fractional integral of the force) for large oscillation amplitudes. This has significant implications to measurement sensitivity, since integrating the force will smooth its behavior, while differentiating it will enhance variations. This highlights the importance in choice of oscillation amplitude when wishing to optimize the sensitivity of force spectroscopy measurements to short-range interactions and consequently imaging with the highest possible resolution.
Range of validity for perturbative treatments of relativistic sum rules
NASA Astrophysics Data System (ADS)
Cohen, Scott M.
2003-10-01
The range of validity of perturbative calculations of relativistic sum rules is investigated by calculating the second-order relativistic corrections to the Bethe sum rule and its small momentum limit, the Thomas-Reiche-Kuhn (TRK) sum rule. For the TRK sum rule and atomic systems, the second-order correction is found to be less than 0.5% up to about Z=70. The total relativistic corrections should then be accurate at least through this range of Z, and probably beyond this range if the second-order terms are included. For Rn (Z=86), however, the second-order corrections are nearly 1%. The total corrections to the Bethe sum rule are largest at small momentum, never being significantly larger than the corresponding corrections to the TRK sum rule. The first-order corrections to the Bethe sum rule also give better than 0.5% accuracy for Z<70, and inclusion of the second-order corrections should extend this range, as well.
The giant acoustic atom - a single quantum system with a deterministic time delay
NASA Astrophysics Data System (ADS)
Guo, Lingzhen; Grimsmo, Arne; Frisk Kockum, Anton; Pletyukhov, Mikhail; Johansson, Göran
2017-04-01
We investigate the quantum dynamics of a single transmon qubit coupled to surface acoustic waves (SAWs) via two distant connection points. Since the acoustic speed is five orders of magnitude slower than the speed of light, the travelling time between the two connection points needs to be taken into account. Therefore, we treat the transmon qubit as a giant atom with a deterministic time delay. We find that the spontaneous emission of the system, formed by the giant atom and the SAWs between its connection points, initially follows a polynomial decay law instead of an exponential one, as would be the case for a small atom. We obtain exact analytical results for the scattering properties of the giant atom up to two-phonon processes by using a diagrammatic approach. The time delay gives rise to novel features in the reflection, transmission, power spectra, and second-order correlation functions of the system. Furthermore, we find the short-time dynamics of the giant atom for arbitrary drive strength by a numerically exact method for open quantum systems with a finite-time-delay feedback loop. L. G. acknowledges financial support from Carl-Zeiss Stiftung (0563-2.8/508/2).
Long-range dipolar order and dispersion forces in polar liquids
NASA Astrophysics Data System (ADS)
Besford, Quinn Alexander; Christofferson, Andrew Joseph; Liu, Maoyuan; Yarovsky, Irene
2017-11-01
Complex solvation phenomena, such as specific ion effects, occur in polar liquids. Interpretation of these effects in terms of structure and dispersion forces will lead to a greater understanding of solvation. Herein, using molecular dynamics, we probe the structure of polar liquids through specific dipolar pair correlation functions that contribute to the potential of mean force that is "felt" between thermally rotating dipole moments. It is shown that unique dipolar order exists at separations at least up to 20 Å for all liquids studied. When the structural order is compared with a dipolar dispersion force that arises from local co-operative enhancement of dipole moments, a strong agreement is found. Lifshitz theory of dispersion forces was compared with the structural order, where the theory is validated for all liquids that do not have significant local dipole correlations. For liquids that do have significant local dipole correlations, specifically liquid water, Lifshitz theory underestimates the dispersion force by a factor of 5-10, demonstrating that the force that leads to the increased structure in liquid water is missed by Lifshitz theory of van der Waals forces. We apply similar correlation functions to an ionic aqueous system, where long-range order between water's dipole moment and a single chloride ion is found to exist at 20 Å of separation, revealing a long-range perturbation of water's structure by an ion. Furthermore, we found that waters within the 1st, 2nd, and 3rd solvation shells of a chloride ion exhibit significantly enhanced dipolar interactions, particularly with waters at larger distances of separation. Our results provide a link between structures, dispersion forces, and specific ion effects, which may lead to a more robust understanding of solvation.
Long-Range Order in Cylindrical Block Copolymer Thin Films using Graphoepitaxy
NASA Astrophysics Data System (ADS)
Dadmun, Mark; Lowndes, Doug
2005-03-01
A block copolymer thin film of polystyrene and methyl methacrylate on a neutral surface forms cylinders that are removed by UV exposure and rinsing, creating a template for the deposition of nickel nanodots, which are subsequently used to grow carbon nanofibers. Additionally, graphoepitaxy is used to successfully induce long-range order in hexagonally packed cylinders. The kinetics of the ordering process, limitations on this technique, and specific sample preparation conditions for successful transfer of the porous template to the deposited nanodots will also be discussed
Short-range structure and thermal properties of barium tellurite glasses
NASA Astrophysics Data System (ADS)
Kaur, Amarjot; Khanna, Atul; Gonzàlez, Fernando
2017-05-01
BaO-TeO2 glasses containing 10 to 20 BaO mol% were prepared and characterized by X-ray diffraction, density measurements, differential scanning calorimetry and Raman spectroscopy. Glass density decreases with increase in BaO concentration from 10 to 20 mol%, due to replacement of heavier TeO2 by lighter BaO, however glass transition temperature (Tg) increases significantly from a value of 318°C to 327°C due to increase in average single bond enthalpy of the tellurite network. Raman studies found that glass short-range structure consists of TeO4 and TeO3 structural units and BaO modifies the network by producing the structural transformation: TeO4→ TeO3.
Observation of hidden atomic order at the interface between Fe and topological insulator Bi2Te3.
Sánchez-Barriga, Jaime; Ogorodnikov, Ilya I; Kuznetsov, Mikhail V; Volykhov, Andrey A; Matsui, Fumihiko; Callaert, Carolien; Hadermann, Joke; Verbitskiy, Nikolay I; Koch, Roland J; Varykhalov, Andrei; Rader, Oliver; Yashina, Lada V
2017-11-22
To realize spintronic devices based on topological insulators (TIs), well-defined interfaces between magnetic metals and TIs are required. Here, we characterize atomically precisely the interface between the 3d transition metal Fe and the TI Bi 2 Te 3 at different stages of its formation. Using photoelectron diffraction and holography, we show that after deposition of up to 3 monolayers Fe on Bi 2 Te 3 at room temperature, the Fe atoms are ordered at the interface despite the surface disorder revealed by our scanning-tunneling microscopy images. We find that Fe occupies two different sites: a hollow adatom deeply relaxed into the Bi 2 Te 3 quintuple layers and an interstitial atom between the third (Te) and fourth (Bi) atomic layers. For both sites, our core-level photoemission spectra and density-functional theory calculations demonstrate simultaneous chemical bonding of Fe to both Te and Bi atoms. We further show that upon deposition of Fe up to a thickness of 20 nm, the Fe atoms penetrate deeper into the bulk forming a 2-5 nm interface layer containing FeTe. In addition, excessive Bi is pushed down into the bulk of Bi 2 Te 3 leading to the formation of septuple layers of Bi 3 Te 4 within a distance of ∼25 nm from the interface. Controlling the magnetic properties of the complex interface structures revealed by our work will be of critical importance when optimizing the efficiency of spin injection in TI-based devices.
Laser Assisted Free-Free Transition in Electron - Atom Collision
NASA Technical Reports Server (NTRS)
Sinha, C.; Bhatia, A. K.
2011-01-01
Free-free transition is studied for electron-Hydrogen atom system in ground state at very low incident energies in presence of an external homogeneous, monochromatic and linearly polarized laser field. The incident electron is considered to be dressed by the laser in a non perturbative manner by choosing the Volkov solutions in both the channels. The space part of the scattering wave function for the electron is solved numerically by taking into account the effect of electron exchange, short range as well as of the long range interactions. Laser assisted differential as well as elastic total cross sections are calculated for single photon absorption/emission in the soft photon limit, the laser intensity being much less than the atomic field intensity. A strong suppression is noted in the laser assisted cross sections as compared to the field free situations. Significant difference is noted in the singlet and the triplet cross sections.
Short-cavity squeezing in barium
NASA Technical Reports Server (NTRS)
Hope, D. M.; Bachor, H-A.; Manson, P. J.; Mcclelland, D. E.
1992-01-01
Broadband phase sensitive noise and squeezing were experimentally observed in a system of barium atoms interacting with a single mode of a short optical cavity. Squeezing of 13 +/- 3 percent was observed. A maximum possible squeezing of 45 +/- 8 percent could be inferred for out experimental conditions, after correction for measured loss factors. Noise reductions below the quantum limit were found over a range of detection frequencies 60-170 MHz and were best for high cavity transmission and large optical depths. The amount of squeezing observed is consistent with theoretical predictions from a full quantum statistical model of the system.
Atomic charges of sulfur in ionic liquids: experiments and calculations.
Fogarty, Richard M; Rowe, Rebecca; Matthews, Richard P; Clough, Matthew T; Ashworth, Claire R; Brandt, Agnieszka; Corbett, Paul J; Palgrave, Robert G; Smith, Emily F; Bourne, Richard A; Chamberlain, Thomas W; Thompson, Paul B J; Hunt, Patricia A; Lovelock, Kevin R J
2017-12-14
Experimental near edge X-ray absorption fine structure (NEXAFS) spectra, X-ray photoelectron (XP) spectra and Auger electron spectra are reported for sulfur in ionic liquids (ILs) with a range of chemical structures. These values provide experimental measures of the atomic charge in each IL and enable the evaluation of the suitability of NEXAFS spectroscopy and XPS for probing the relative atomic charge of sulfur. In addition, we use Auger electron spectroscopy to show that when XPS binding energies differ by less than 0.5 eV, conclusions on atomic charge should be treated with caution. Our experimental data provides a benchmark for calculations of the atomic charge of sulfur obtained using different methods. Atomic charges were computed for lone ions and ion pairs, both in the gas phase (GP) and in a solvation model (SMD), with a wide range of ion pair conformers considered. Three methods were used to compute the atomic charges: charges from the electrostatic potential using a grid based method (ChelpG), natural bond orbital (NBO) population analysis and Bader's atoms in molecules (AIM) approach. By comparing the experimental and calculated measures of the atomic charge of sulfur, we provide an order for the sulfur atoms, ranging from the most negative to the most positive atomic charge. Furthermore, we show that both ChelpG and NBO are reasonable methods for calculating the atomic charge of sulfur in ILs, based on the agreement with both the XPS and NEXAFS spectroscopy results. However, the atomic charges of sulfur derived from ChelpG are found to display significant, non-physical conformational dependence. Only small differences in individual atomic charge of sulfur were observed between lone ion (GP) and ion pair IL(SMD) model systems, indicating that ion-ion interactions do not strongly influence individual atomic charges.
Ultracold Realization of AntiFerromagenteic Order
NASA Astrophysics Data System (ADS)
Shrestha, Uttam
2011-03-01
We investigate numerically the experimental feasibility of observing the antiferromagnetic (AF) order in the bosonic mixtures of rubidium (87 Rb) and potassium (41 K) in a two-dimensional optical lattice with external trapping potential. Within the mean-field approximation we have found the ground states which, for a specific range of parameters such as inter-species interactions and lattice height, interpolate from phase separation to the AF order. For the moderate lattice heights the coexistence of the Mott and AF phase is possible for rubidium atoms while the potassium atoms remain superfluid with overlapped AF phase. In our view there has not been any study on AF order in two-component systems when one component remains in the superfluid phase while the other is in the Mott phase. Therefore, this observation may provide a novel regime for studying quantum magnetism in ultracold systems. This work was supported by the EU Contract EU STREP NAMEQUAM.
Hughes, Robert W; Marsh, John E; Jones, Dylan M
2011-11-01
In two experiments, we examined the impact of the degree of match between sequential auditory perceptual organization processes and the demands of a short-term memory task (memory for order vs. item information). When a spoken sequence of digits was presented so as to promote its perceptual partitioning into two distinct streams by conveying it in alternating female (F) and male (M) voices (FMFMFMFM)--thereby disturbing the perception of true temporal order--recall of item order was greatly impaired (as compared to recall of item identity). Moreover, an order error type consistent with the formation of voice-based streams was committed more quickly in the alternating-voice condition (Exp. 1). In contrast, when the perceptual organization of the sequence mapped well onto an optimal two-group serial rehearsal strategy--by presenting the two voices in discrete clusters (FFFFMMMM)--order, but not item, recall was enhanced (Exp. 2). The results are consistent with the view that the degree of compatibility between perceptual and deliberate sequencing processes is a key determinant of serial short-term memory performance. Alternative accounts of talker variability effects in short-term memory, based on the concept of a dedicated phonological short-term store and a capacity-limited focus of attention, are also reviewed.
High Atom Number in Microsized Atom Traps
2015-12-14
forces on the order of (hbar)(k) (Omega), where Omega is the laser Rabi frequency. We have observed behavior compatible with bichromatic slowing and... Rabi frequency. We have observed behavior compatible with bichromatic slowing and cooling of some atoms in atomic beam. Results were presented at the
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.
Long Range In-Plane Order of Oriented Diblock Copolymer Thin Films by Graphoepitaxy
NASA Astrophysics Data System (ADS)
Fontana, Scott; Dadmun, Mark; Lowndes, Douglas
2003-03-01
Previous work by Russell and coworkers has demonstrated that controlling the interfacial energies and wetting behavior of an asymmetric diblock copolymer enables the control of the orientation of its microphases. In particular the cylindrical phase can be readily aligned perpendicular to a substrate when it is placed on a surface that is neutral to both components of the copolymer. The minor phase, PMMA may then be removed using UV radiation leaving a nanoporous template. In this work, we will report long range, in-plane ordering of the hexagonally packed nanopores that is achieved using graphoepitaxy. The long range ordered and vertically aligned diblock copolymer film can be used to produce arrays of catalytic nickel dots, which grow vertically aligned carbon nano-fibers (VACNF), resulting in a well ordered array of VACNFs.
Dweck, Hany KM; Ebrahim, Shimaa AM; Khallaf, Mohammed A; Koenig, Christopher; Farhan, Abu; Stieber, Regina; Weißflog, Jerrit; Svatoš, Aleš; Grosse-Wilde, Ewald
2016-01-01
The vinegar fly Drosophila melanogaster is equipped with two peripheral olfactory organs, antenna and maxillary palp. The antenna is involved in finding food, oviposition sites and mates. However, the functional significance of the maxillary palp remained unknown. Here, we screened the olfactory sensory neurons of the maxillary palp (MP-OSNs) using a large number of natural odor extracts to identify novel ligands for each MP-OSN type. We found that each type is the sole or the primary detector for a specific compound, and detects these compounds with high sensitivity. We next dissected the contribution of MP-OSNs to behaviors evoked by their key ligands and found that MP-OSNs mediate short- and long-range attraction. Furthermore, the organization, detection and olfactory receptor (Or) genes of MP-OSNs are conserved in the agricultural pest D. suzukii. The novel short and long-range attractants could potentially be used in integrated pest management (IPM) programs of this pest species. DOI: http://dx.doi.org/10.7554/eLife.14925.001 PMID:27213519
NASA Astrophysics Data System (ADS)
Bucay, Igal; Helal, Ahmed; Dunsky, David; Leviyev, Alex; Mallavarapu, Akhila; Sreenivasan, S. V.; Raizen, Mark
2017-04-01
Ionization of atoms and molecules is an important process in many applications and processes such as mass spectrometry. Ionization is typically accomplished by electron bombardment, and while it is scalable to large volumes, is also very inefficient due to the small cross section of electron-atom collisions. Photoionization methods can be highly efficient, but are not scalable due to the small ionization volume. Electric field ionization is accomplished using ultra-sharp conducting tips biased to a few kilovolts, but suffers from a low ionization volume and tip fabrication limitations. We report on our progress towards an efficient, robust, and scalable method of atomic and molecular ionization using orderly arrays of sharp, gold-doped silicon nanowires. As demonstrated in earlier work, the presence of the gold greatly enhances the ionization probability, which was attributed to an increase in available acceptor surface states. We present here a novel process used to fabricate the nanowire array, results of simulations aimed at optimizing the configuration of the array, and our progress towards demonstrating efficient and scalable ionization.
Laser controlled atom source for optical clocks.
Kock, Ole; He, Wei; Świerad, Dariusz; Smith, Lyndsie; Hughes, Joshua; Bongs, Kai; Singh, Yeshpal
2016-11-18
Precision timekeeping has been a driving force in innovation, from defining agricultural seasons to atomic clocks enabling satellite navigation, broadband communication and high-speed trading. We are on the verge of a revolution in atomic timekeeping, where optical clocks promise an over thousand-fold improvement in stability and accuracy. However, complex setups and sensitivity to thermal radiation pose limitations to progress. Here we report on an atom source for a strontium optical lattice clock which circumvents these limitations. We demonstrate fast (sub 100 ms), cold and controlled emission of strontium atomic vapours from bulk strontium oxide irradiated by a simple low power diode laser. Our results demonstrate that millions of strontium atoms from the vapour can be captured in a magneto-optical trap (MOT). Our method enables over an order of magnitude reduction in scale of the apparatus. Future applications range from satellite clocks testing general relativity to portable clocks for inertial navigation systems and relativistic geodesy.
Laser controlled atom source for optical clocks
Kock, Ole; He, Wei; Świerad, Dariusz; Smith, Lyndsie; Hughes, Joshua; Bongs, Kai; Singh, Yeshpal
2016-01-01
Precision timekeeping has been a driving force in innovation, from defining agricultural seasons to atomic clocks enabling satellite navigation, broadband communication and high-speed trading. We are on the verge of a revolution in atomic timekeeping, where optical clocks promise an over thousand-fold improvement in stability and accuracy. However, complex setups and sensitivity to thermal radiation pose limitations to progress. Here we report on an atom source for a strontium optical lattice clock which circumvents these limitations. We demonstrate fast (sub 100 ms), cold and controlled emission of strontium atomic vapours from bulk strontium oxide irradiated by a simple low power diode laser. Our results demonstrate that millions of strontium atoms from the vapour can be captured in a magneto-optical trap (MOT). Our method enables over an order of magnitude reduction in scale of the apparatus. Future applications range from satellite clocks testing general relativity to portable clocks for inertial navigation systems and relativistic geodesy. PMID:27857214
DOE Office of Scientific and Technical Information (OSTI.GOV)
Xu, Dongbin; Sun, Cheng-Jun; Chen, Jing-Sheng
2014-10-14
In structurally ordered magnetic thin films, the Curie temperature (TC) of ferromagnetic films depends on the exchange integral of the short range ordered neighboring atoms. The exchange integral may be adjusted by controlling elemental substitutional concentration at the lattice site of interest. We show how to control the TC in high anisotropy L10 Fe50Pt50 magnetic thin films by substituting Rh into the Pt site. Rh substitution in L10 FePt modified the local atomic environment and corresponding electronic properties while retaining the ordered L10 phase. The analysis of extended x-ray Absorption Fine Structure (EXAFS) spectra shows that Rh uniformly substitutes formore » Pt in L10 FePt. With 15 at. % of Rh substitution, temperature-dependent magnetic measurements show that the saturation magnetization (Ms) decreases from 1152 emu/cc to 670 emu/cc, the magnetocrystalline anisotropy (Ku) drops from 5×107 erg/cc to 2×107 erg/cc, and TC decreased from 750 to 500 K. A model of antiferromagnetic (AFM) defects caused by controlled Rh substitution of the Pt site, reducing the TC, is proposed to interpret this phenomenon and the validity is further examined by ab initio density functional calculations.« less
A rational approach to heavy-atom derivative screening
DOE Office of Scientific and Technical Information (OSTI.GOV)
Joyce, M. Gordon; Radaev, Sergei; Sun, Peter D., E-mail: psun@nih.gov
2010-04-01
In order to overcome the difficulties associated with the ‘classical’ heavy-atom derivatization procedure, an attempt has been made to develop a rational crystal-free heavy-atom-derivative screening method and a quick-soak derivatization procedure which allows heavy-atom compound identification. Despite the development in recent times of a range of techniques for phasing macromolecules, the conventional heavy-atom derivatization method still plays a significant role in protein structure determination. However, this method has become less popular in modern high-throughput oriented crystallography, mostly owing to its trial-and-error nature, which often results in lengthy empirical searches requiring large numbers of well diffracting crystals. In addition, the phasingmore » power of heavy-atom derivatives is often compromised by lack of isomorphism or even loss of diffraction. In order to overcome the difficulties associated with the ‘classical’ heavy-atom derivatization procedure, an attempt has been made to develop a rational crystal-free heavy-atom derivative-screening method and a quick-soak derivatization procedure which allows heavy-atom compound identification. The method includes three basic steps: (i) the selection of likely reactive compounds for a given protein and specific crystallization conditions based on pre-defined heavy-atom compound reactivity profiles, (ii) screening of the chosen heavy-atom compounds for their ability to form protein adducts using mass spectrometry and (iii) derivatization of crystals with selected heavy-metal compounds using the quick-soak method to maximize diffraction quality and minimize non-isomorphism. Overall, this system streamlines the process of heavy-atom compound identification and minimizes the problem of non-isomorphism in phasing.« less
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.
NASA Astrophysics Data System (ADS)
Lempert, Walter; Uddi, Mruthunjaya; Mintusov, Eugene; Jiang, Naibo; Adamovich, Igor
2007-10-01
Two Photon Laser Induced Fluorescence (TALIF) is used to measure time-dependent absolute oxygen atom concentrations in O2/He, O2/N2, and CH4/air plasmas produced with a 20 nanosecond duration, 20 kV pulsed discharge at 10 Hz repetition rate. Xenon calibrated spectra show that a single discharge pulse creates initial oxygen dissociation fraction of ˜0.0005 for air like mixtures at 40-60 torr total pressure. Peak O atom concentration is a factor of approximately two lower in fuel lean (φ=0.5) methane/air mixtures. In helium buffer, the initially formed atomic oxygen decays monotonically, with decay time consistent with formation of ozone. In all nitrogen containing mixtures, atomic oxygen concentrations are found to initially increase, for time scales on the order of 10-100 microseconds, due presumably to additional O2 dissociation caused by collisions with electronically excited nitrogen. Further evidence of the role of metastable N2 is demonstrated from time-dependent N2 2^nd Positive and NO Gamma band emission spectroscopy. Comparisons with modeling predictions show qualitative, but not quantitative, agreement with the experimental data.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Scurti, Craig A.; Arenas, D. J.; Auvray, Nicolas
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 amore » 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.« less
Kumar, Vineet; Dixit, Nitin; Zhou, Liqiang Lisa; Fraunhofer, Wolfgang
2011-12-12
The purpose of this work was to determine the nature of long and short-range forces governing protein aggregation kinetics at low and high concentrations for a monoclonal antibody (IgG1) and a dual-variable-domain immunoglobulin (DVD-Ig). Protein-protein interactions (PPI) were studied under dilute conditions by utilizing the methods of static (B(22)) and dynamic light scattering (k(D)). PPI in solutions containing minimal ionic strengths were characterized to get detailed insights into the impact of ionic strength on aggregation. Microcalorimetry and susceptibility to denature at air-liquid interface were used to assess the tertiary structure and quiescent stability studies were conducted to study aggregation characteristics. Results for IgG1 showed that electrostatic interactions governed protein aggregation kinetics both under dilute and concentrated conditions (i.e., 5 mg/mL and 150 mg/mL). For DVD-Ig molecules, on the other hand, although electrostatic interactions governed protein aggregation under dilute conditions, hydrophobic forces clearly determined the kinetics at high concentrations. This manuscript shows for the first time that short-range hydrophobic interactions can outweigh electrostatic forces and play an important role in determining protein aggregation at high concentrations. Additionally, results show that although higher-order virial coefficients become significant under low ionic strength conditions, removal of added charges may be used to enhance the aggregation stability of dilute protein formulations. Copyright © 2011 Elsevier B.V. All rights reserved.
Effect of short-range correlations on the single proton 3s1/2 wave function in 206Pb
NASA Astrophysics Data System (ADS)
Shlomo, S.; Talmi, I.; Anders, M. R.; Bonasera, G.
2018-02-01
We consider the experimental data for difference, Δρc (r), between the charge density distributions of the isotones 206Pb - 205Tl, deduced by analysis of elastic electron scattering measurements and corresponds to the shell model 3s1/2 proton orbit. We investigate the effects of two-body short-range correlations. This is done by: (a) Determining the corresponding single particle potential (mean-field), employing a novel method, directly from the single particle proton density and its first and second derivatives. We also carried out least-square fits to parametrized single particle potentials; (b) Determining the short-range correlations effect by employing the Jastrow correlated many-body wave function to derive a correlation factor for the single particle density distribution. The 3s 1/2 wave functions of the determined potentials reproduce fairly well the experimental data within the quoted errors. The calculated charge density difference, Δρc (r), obtained with the inclusion of the short-range correlation effect does not reproduce the experimental data.
DOE Office of Scientific and Technical Information (OSTI.GOV)
White, Claire E., E-mail: whitece@princeton.edu; Andlinger Center for Energy and the Environment, Princeton University, Princeton; Lujan Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos
2015-01-15
The atomic structures of calcium silicate hydrate (C–S–H) and calcium (–sodium) aluminosilicate hydrate (C–(N)–A–S–H) gels, and their presence in conventional and blended cement systems, have been the topic of significant debate over recent decades. Previous investigations have revealed that synthetic C–S–H gel is nanocrystalline and due to the chemical similarities between ordinary Portland cement (OPC)-based systems and low-CO{sub 2} alkali-activated slags, researchers have inferred that the atomic ordering in alkali-activated slag is the same as in OPC–slag cements. Here, X-ray total scattering is used to determine the local bonding environment and nanostructure of C(–A)–S–H gels present in hydrated tricalcium silicatemore » (C{sub 3}S), blended C{sub 3}S–slag and alkali-activated slag, revealing the large intrinsic differences in the extent of nanoscale ordering between C–S–H derived from C{sub 3}S and alkali-activated slag systems, which may have a significant influence on thermodynamic stability, and material properties at higher length scales, including long term durability of alkali-activated cements.« less
Implementing Molecular Dynamics for Hybrid High Performance Computers - 1. Short Range Forces
DOE Office of Scientific and Technical Information (OSTI.GOV)
Brown, W Michael; Wang, Peng; Plimpton, Steven J
The use of accelerators such as general-purpose graphics processing units (GPGPUs) have become popular in scientific computing applications due to their low cost, impressive floating-point capabilities, high memory bandwidth, and low electrical power requirements. Hybrid high performance computers, machines with more than one type of floating-point processor, are now becoming more prevalent due to these advantages. In this work, we discuss several important issues in porting a large molecular dynamics code for use on parallel hybrid machines - 1) choosing a hybrid parallel decomposition that works on central processing units (CPUs) with distributed memory and accelerator cores with shared memory,more » 2) minimizing the amount of code that must be ported for efficient acceleration, 3) utilizing the available processing power from both many-core CPUs and accelerators, and 4) choosing a programming model for acceleration. We present our solution to each of these issues for short-range force calculation in the molecular dynamics package LAMMPS. We describe algorithms for efficient short range force calculation on hybrid high performance machines. We describe a new approach for dynamic load balancing of work between CPU and accelerator cores. We describe the Geryon library that allows a single code to compile with both CUDA and OpenCL for use on a variety of accelerators. Finally, we present results on a parallel test cluster containing 32 Fermi GPGPUs and 180 CPU cores.« less
Short-range structure and thermal properties of lead tellurite glasses
NASA Astrophysics Data System (ADS)
Hirdesh, Kaur, Amarjot; Khanna, Atul; Gonzàlez, Fernando
2017-05-01
PbO-TeO2 glasses having composition: xPbO-(100 - x)TeO2 (x = 10, 15 and 20 mol%) were prepared by melt quenching and characterized by X-ray diffraction, density measurements, differential scanning calorimetry and Raman spectroscopy. Glass density increases from 5.89 to 6.22 g cm-3 with increase in PbO concentration from 10 to 20 mol%, due to the replacement of TeO2 by heavier PbO. DSC studies found that glass transition temperature (Tg) decreases from a value of 295°C to 281°C. Raman studies found that glass short-range structure consists of TeO4 and TeO3 structural units and that PbO modifies the network by the structural transformation: TeO4 to TeO3.
Atomic photoionization in a strong magnetic field
NASA Astrophysics Data System (ADS)
Greene, C. H.
1983-10-01
The photoionization of hydrogen atoms in a strong magnetic field is formulated as a multichannel problem by representing the asymptotic electron-wave function in cylindrical coordinates. Departures from cylindrical symmetry close to the nucleus are incorporated by an R-matrix treatment at short range, which then merges with standard quantum-defect procedures. The R-matrix calculation utilizes the eigenchannel approach, recast in noniterative form. At the field strength treated here, B = 4.7 x 10 to the 9th G, the photoionization cross section displays narrow 'autoionizing' resonances near the excited Landau thresholds.
Gandhi, Ashish C; Li, Tai-Yue; Chan, Ting Shan; Wu, Sheng Yun
2018-05-09
With the evolution of synthesis and the critical characterization of core-shell nanostructures, short-range magnetic correlation is of prime interest in employing their properties to develop novel devices and widespread applications. In this regard, a novel approach of the magnetic core-shell saturated magnetization (CSSM) cylinder model solely based on the contribution of saturated magnetization in one-dimensional CrO₂/Cr₂O₃ core-shell nanorods (NRs) has been developed and applied for the determination of core-diameter and shell-thickness. The nanosized effect leads to a short-range magnetic correlation of ferromagnetic core-CrO₂ extracted from CSSM, which can be explained using finite size scaling method. The outcome of this study is important in terms of utilizing magnetic properties for the critical characterization of core-shell nanomagnetic materials.
Long range ordered alloys modified by addition of niobium and cerium
Liu, C.T.
1984-08-22
Long range ordered alloys are described having the nominal composition (Fe,Ni,Co)/sub 3/ (V,M) where M is a ductility enhancing metal selected from the group Ti, Zr, Hf with additions of small amounts of cerium and niobium to dramatically enhance the creep properties of the resulting alloys.
Long range ordered alloys modified by addition of niobium and cerium
Liu, Chain T.
1987-01-01
Long range ordered alloys are described having the nominal composition (Fe,Ni,Co).sub.3 (V,M) where M is a ductility enhancing metal selected from the group Ti, Zr, Hf with additions of small amounts of cerium and niobium to drammatically enhance the creep properties of the resulting alloys.
High flexibility of DNA on short length scales probed by atomic force microscopy.
Wiggins, Paul A; van der Heijden, Thijn; Moreno-Herrero, Fernando; Spakowitz, Andrew; Phillips, Rob; Widom, Jonathan; Dekker, Cees; Nelson, Philip C
2006-11-01
The mechanics of DNA bending on intermediate length scales (5-100 nm) plays a key role in many cellular processes, and is also important in the fabrication of artificial DNA structures, but previous experimental studies of DNA mechanics have focused on longer length scales than these. We use high-resolution atomic force microscopy on individual DNA molecules to obtain a direct measurement of the bending energy function appropriate for scales down to 5 nm. Our measurements imply that the elastic energy of highly bent DNA conformations is lower than predicted by classical elasticity models such as the worm-like chain (WLC) model. For example, we found that on short length scales, spontaneous large-angle bends are many times more prevalent than predicted by the WLC model. We test our data and model with an interlocking set of consistency checks. Our analysis also shows how our model is compatible with previous experiments, which have sometimes been viewed as confirming the WLC.
NASA Astrophysics Data System (ADS)
Duffy, L. B.; Frisk, A.; Burn, D. M.; Steinke, N.-J.; Herrero-Martin, J.; Ernst, A.; van der Laan, G.; Hesjedal, T.
2018-05-01
The combination of topological properties and magnetic order can lead to new quantum states and exotic physical phenomena, such as the quantum anomalous Hall (QAH) effect. The size of the magnetic gap in the topological surface states, key for the robust observation of the QAH state, scales with the magnetic moment of the doped three-dimensional topological insulator (TI). The pioneering transition-metal doped (Sb,Bi ) 2(Se,Te ) 3 thin films only allow for the observation of the QAH effect up to some 100 mK, despite the much higher magnetic ordering temperatures. On the other hand, high magnetic moment materials, such as rare-earth-doped (Sb,Bi ) 2(Se,Te ) 3 thin films, show large moments but no long-range magnetic order. Proximity coupling and interfacial effects, multiplied in artificial heterostructures, allow for the engineering of the electronic and magnetic properties. Here, we show the successful growth of high-quality Dy:Bi2Te3 /Cr:Sb2Te3 thin film heterostructures. Using x-ray magnetic spectroscopy we demonstrate that high transition temperature Cr:Sb2Te3 can introduce long-range magnetic order in high-moment Dy:Bi2Te3 —up to a temperature of 17 K—in excellent agreement with first-principles calculations, which reveal the origin of the long-range magnetic order in a strong antiferromagnetic coupling between Dy and Cr magnetic moments at the interface extending over several layers. Engineered magnetic TI heterostructures may be an ideal materials platform for observing the QAH effect at liquid He temperatures and above.
Thermal nanostructure: An order parameter multiscale ensemble approach
NASA Astrophysics Data System (ADS)
Cheluvaraja, S.; Ortoleva, P.
2010-02-01
Deductive all-atom multiscale techniques imply that many nanosystems can be understood in terms of the slow dynamics of order parameters that coevolve with the quasiequilibrium probability density for rapidly fluctuating atomic configurations. The result of this multiscale analysis is a set of stochastic equations for the order parameters whose dynamics is driven by thermal-average forces. We present an efficient algorithm for sampling atomistic configurations in viruses and other supramillion atom nanosystems. This algorithm allows for sampling of a wide range of configurations without creating an excess of high-energy, improbable ones. It is implemented and used to calculate thermal-average forces. These forces are then used to search the free-energy landscape of a nanosystem for deep minima. The methodology is applied to thermal structures of Cowpea chlorotic mottle virus capsid. The method has wide applicability to other nanosystems whose properties are described by the CHARMM or other interatomic force field. Our implementation, denoted SIMNANOWORLD™, achieves calibration-free nanosystem modeling. Essential atomic-scale detail is preserved via a quasiequilibrium probability density while overall character is provided via predicted values of order parameters. Applications from virology to the computer-aided design of nanocapsules for delivery of therapeutic agents and of vaccines for nonenveloped viruses are envisioned.
Multi-photon ionization of atoms in intense short-wavelength radiation fields
NASA Astrophysics Data System (ADS)
Meyer, Michael
2015-05-01
The unprecedented characteristics of XUV and X-ray Free Electron Lasers (FELs) have stimulated numerous investigations focusing on the detailed understanding of fundamental photon-matter interactions in atoms and molecules. In particular, the high intensities (up to 106 W/cm2) giving rise to non-linear phenomena in the short wavelength regime. The basic phenomenology involves the production of highly charged ions via electron emission to which both sequential and direct multi-photon absorption processes contribute. The detailed investigation of the role and relative weight of these processes under different conditions (wavelength, pulse duration, intensity) is the key element for a comprehensive understanding of the ionization dynamics. Here the results of recent investigations are presented, performed at the FELs in Hamburg (FLASH) and Trieste (FERMI) on atomic systems with electronic structures of increasing complexity (Ar, Ne and Xe). Mainly, electron spectroscopy is used to obtain quantitative information about the relevance of various multi-photon ionization processes. For the case of Ar, a variety of processes including above threshold ionization (ATI) from 3p and 3s valence shells, direct 2p two-photon ionization and resonant 2p-4p two-photon excitations were observed and their role was quantitatively determined comparing the experimental ionization yields to ab-initio calculations of the cross sections for the multi-photon processes. Using Ar as a benchmark to prove the reliability of the combined experimental and theoretical approach, the more complex and intriguing case of Xe was studied. Especially, the analysis of the two-photon ATI from the Xe 4d shell reveals new insight into the character of the 4d giant resonance, which was unresolved in the linear one-photon regime. Finally, the influence of intense XUV radiation to the relaxation dynamics of the Ne 2s-3p resonance was investigated by angle-resolved electron spectroscopy, especially be observing
Many-body physics using cold atoms
NASA Astrophysics Data System (ADS)
Sundar, Bhuvanesh
Advances in experiments on dilute ultracold atomic gases have given us access to highly tunable quantum systems. In particular, there have been substantial improvements in achieving different kinds of interaction between atoms. As a result, utracold atomic gases oer an ideal platform to simulate many-body phenomena in condensed matter physics, and engineer other novel phenomena that are a result of the exotic interactions produced between atoms. In this dissertation, I present a series of studies that explore the physics of dilute ultracold atomic gases in different settings. In each setting, I explore a different form of the inter-particle interaction. Motivated by experiments which induce artificial spin-orbit coupling for cold fermions, I explore this system in my first project. In this project, I propose a method to perform universal quantum computation using the excitations of interacting spin-orbit coupled fermions, in which effective p-wave interactions lead to the formation of a topological superfluid. Motivated by experiments which explore the physics of exotic interactions between atoms trapped inside optical cavities, I explore this system in a second project. I calculate the phase diagram of lattice bosons trapped in an optical cavity, where the cavity modes mediates effective global range checkerboard interactions between the atoms. I compare this phase diagram with one that was recently measured experimentally. In two other projects, I explore quantum simulation of condensed matter phenomena due to spin-dependent interactions between particles. I propose a method to produce tunable spin-dependent interactions between atoms, using an optical Feshbach resonance. In one project, I use these spin-dependent interactions in an ultracold Bose-Fermi system, and propose a method to produce the Kondo model. I propose an experiment to directly observe the Kondo effect in this system. In another project, I propose using lattice bosons with a large hyperfine spin
Thermoreversible Gels Composed of Colloidal Silica Rods with Short-Range Attractions
Murphy, Ryan P.; Hong, Kunlun; Wagner, Norman J.
2016-07-28
Dynamic arrest transitions of colloidal suspensions containing non-spherical particles are of interest for the design and processing of various particle technologies. To better understand the effects of particle shape anisotropy and attraction strength on gel and glass formation, we present a colloidal model system of octadecyl-coated silica rods, termed as adhesive hard rods (AHR), which enables control of rod aspect ratio and temperature-dependent interactions. The aspect ratios of silica rods were controlled by varying the initial TEOS concentration following the work of Kuijk et al. (J. Am. Chem. Soc., 2011, 133, 2346–2349) and temperature-dependent attractions were introduced by coating themore » calcined silica rods with an octadecyl-brush and suspending in tetradecane. The rod length and aspect ratio were found to increase with TEOS concentration as expected, while other properties such as the rod diameter, coating coverage, density, and surface roughness were nearly independent of the aspect ratio. Ultra-small angle X-ray scattering measurements revealed temperature-dependent attractions between octadecyl-coated silica rods in tetradecane, as characterized by a low-q upturn in the scattered intensity upon thermal quenching. Lastly, the rheology of a concentrated AHR suspension in tetradecane demonstrated thermoreversible gelation behavior, displaying a nearly 5 orders of magnitude change in the dynamic moduli as the temperature was cycled between 15 and 40 °C. We find the adhesive hard rod model system serves as a tunable platform to explore the combined influence of particle shape anisotropy and attraction strength on the dynamic arrest transitions in colloidal suspensions with thermoreversible, short-range attractions.« less
Correlations between interacting Rydberg atoms
NASA Astrophysics Data System (ADS)
Paris-Mandoki, Asaf; Braun, Christoph; Hofferberth, Sebastian
2018-04-01
This paper is a short introduction to Rydberg physics and quantum nonlinear optics using Rydberg atoms. It has been prepared as a compliment to a series of lectures delivered during the Latin American School of Physics "Marcos Moshinsky" 2017. We provide a short introduction to the properties of individual Rydberg atoms and discuss in detail how the interaction potential between Rydberg atom pairs is calculated. We then discuss how this interaction gives rise to the Rydberg blockade mechanism. With the aid of hallmark experiments in the field applications of the blockade for creating correlated quantum systems are discussed. Our aim is to give an overview of this exciting and rapidly evolving field. The interested reader is referred to original work and more comprehensive reviews and tutorials for further details on these subjects.
DOT National Transportation Integrated Search
2017-04-28
The document describes the overall process for evaluating Dedicated Short Range Communication (DSRC) Roadside Units (RSU) against USDOT RSU Specification 4.1 in preparation for field evaluation. The Test Cases contained in this document only evaluate...
Federal Register 2010, 2011, 2012, 2013, 2014
2012-06-18
... the Matter of Maine Yankee Atomic Power Company; Maine Yankee Atomic Power Station; Confirmatory Order... Regulatory Commission (NRC or the Commission) issued a Confirmatory Order to Maine Yankee Atomic Power...: (301) 492-3342; Email: [email protected] . I Maine Yankee Atomic Power Company (Maine Yankee or the...
McGarry, Michelle H; Nguyen, Michael L; Quigley, Ryan J; Hanypsiak, Bryan; Gupta, Ranjan; Lee, Thay Q
2016-06-01
To evaluate the effect of loading the long and short heads of the biceps on glenohumeral range of motion and humeral head position. Eight cadaveric shoulders were tested in 60° abduction in the scapula and coronal plane. Muscle loading was applied based on cross-sectional area ratios. The short and long head of the biceps were loaded individually followed by combined loading. Range of motion was measured with 2.2 Nm torque, and the humeral head apex position was measured using a MicroScribe. A paired t test with Bonferroni correction was used for statistics. Long head loading decreased internal rotation in both the scapular (17.9 %) and coronal planes (5.7 %) and external rotation in the scapular plane (2.6 %) (P < 0.04). With only short head loading, maximum internal rotation was significantly increased in the scapular and coronal plane. Long head and short head loading shifted the humeral head apex posteriorly in maximum internal rotation in both planes with the long head shift being significantly greater than the short head. Long head loading also shifted the humeral apex inferiorly in internal rotation and inferiorly posteriorly in neutral rotation in the scapular plane. With the long head unloaded, there was a significant superior shift with short head loading in both planes. Loading the long head of the biceps had a much greater effect on glenohumeral range of motion and humeral head shift than the short head of the biceps; however, in the absence of long head loading, with the short head loaded, maximum internal rotation increases and the humeral head shifts superiorly, which may contribute to impingement following tenodesis of the long head of the biceps. These small changes in rotational range of motion and humeral head position with biceps tenodesis may not lead to pathologic conditions in low-demand patients; however, in throwers, biceps tenodesis may lead to increased contact pressures in late-cocking and deceleration that will likely translate
Modeling of atomic systems for atomic clocks and quantum information
NASA Astrophysics Data System (ADS)
Arora, Bindiya
This dissertation reports the modeling of atomic systems for atomic clocks and quantum information. This work is motivated by the prospects of optical frequency standards with trapped ions and the quantum computation proposals with neutral atoms in optical lattices. Extensive calculations of the electric-dipole matrix elements in monovalent atoms are conducted using the relativistic all-order method. This approach is a linearized version of the coupled-cluster method, which sums infinite sets of many-body perturbation theory terms. All allowed transitions between the lowest ns, np1/2, np 3/2 states and a large number of excited states of alkali-metal atoms are evaluated using the all-order method. For Ca+ ion, additional allowed transitions between nd5/2, np 3/2, nf5/2, nf 7/2 states and a large number of excited states are evaluated. We combine D1 lines measurements by Miller et al. [18] with our all-order calculations to determine the values of the electric-dipole matrix elements for the 4pj - 3d j' transitions in K and for the 5pj - 4dj' transitions in Rb to high precision. The resulting electric-dipole matrix elements are used for the high-precision calculation of frequency-dependent polarizabilities of ground state of alkali atoms. Our values of static polarizabilities are found to be in excellent agreement with available experiments. Calculations were done for the wavelength in the range 300--1600 nm, with particular attention to wavelengths of common infrared lasers. We parameterize our results so that they can be extended accurately to arbitrary wavelengths above 800 nm. Our data can be used to predict the oscillation frequencies of optically-trapped atoms, and particularly the ratios of frequencies of different species held in the same trap. We identify wavelengths at which two different alkali atoms have the same oscillation frequency. We present results of all-order calculations of static and frequency-dependent polarizabilities of excited np1/2 and np3
Order of wetting transitions in electrolyte solutions.
Ibagon, Ingrid; Bier, Markus; Dietrich, S
2014-05-07
For wetting films in dilute electrolyte solutions close to charged walls we present analytic expressions for their effective interface potentials. The analysis of these expressions renders the conditions under which corresponding wetting transitions can be first- or second-order. Within mean field theory we consider two models, one with short- and one with long-ranged solvent-solvent and solvent-wall interactions. The analytic results reveal in a transparent way that wetting transitions in electrolyte solutions, which occur far away from their critical point (i.e., the bulk correlation length is less than half of the Debye length) are always first-order if the solvent-solvent and solvent-wall interactions are short-ranged. In contrast, wetting transitions close to the bulk critical point of the solvent (i.e., the bulk correlation length is larger than the Debye length) exhibit the same wetting behavior as the pure, i.e., salt-free, solvent. If the salt-free solvent is governed by long-ranged solvent-solvent as well as long-ranged solvent-wall interactions and exhibits critical wetting, adding salt can cause the occurrence of an ion-induced first-order thin-thick transition which precedes the subsequent continuous wetting as for the salt-free solvent.
Chung, Peter J.; Choi, Myung Chul; Miller, Herbert P.; Feinstein, H. Eric; Raviv, Uri; Li, Youli; Wilson, Leslie; Feinstein, Stuart C.; Safinya, Cyrus R.
2015-01-01
Microtubules (MTs) are hollow cytoskeletal filaments assembled from αβ-tubulin heterodimers. Tau, an unstructured protein found in neuronal axons, binds to MTs and regulates their dynamics. Aberrant Tau behavior is associated with neurodegenerative dementias, including Alzheimer’s. Here, we report on a direct force measurement between paclitaxel-stabilized MTs coated with distinct Tau isoforms by synchrotron small-angle X-ray scattering (SAXS) of MT-Tau mixtures under osmotic pressure (P). In going from bare MTs to MTs with Tau coverage near the physiological submonolayer regime (Tau/tubulin-dimer molar ratio; ΦTau = 1/10), isoforms with longer N-terminal tails (NTTs) sterically stabilized MTs, preventing bundling up to PB ∼ 10,000–20,000 Pa, an order of magnitude larger than bare MTs. Tau with short NTTs showed little additional effect in suppressing the bundling pressure (PB ∼ 1,000–2,000 Pa) over the same range. Remarkably, the abrupt increase in PB observed for longer isoforms suggests a mushroom to brush transition occurring at 1/13 < ΦTau < 1/10, which corresponds to MT-bound Tau with NTTs that are considerably more extended than SAXS data for Tau in solution indicate. Modeling of Tau-mediated MT–MT interactions supports the hypothesis that longer NTTs transition to a polyelectrolyte brush at higher coverages. Higher pressures resulted in isoform-independent irreversible bundling because the polyampholytic nature of Tau leads to short-range attractions. These findings suggest an isoform-dependent biological role for regulation by Tau, with longer isoforms conferring MT steric stabilization against aggregation either with other biomacromolecules or into tight bundles, preventing loss of function in the crowded axon environment. PMID:26542680
Interchannel Coupling in the Photoionization of Atoms and Ions in the X-Ray Range
NASA Technical Reports Server (NTRS)
Manson, Steven T.; Chakraborty, Himadri S.; Deshmukh, Pranawa C.
2002-01-01
To understand how this interchannel coupling, so important in neutral atoms, applies to positive ions, a research program has been initiated to deal with this question, i.e., a program to quantify the effects of interchannel coupling in ionic photoionization, thereby assessing existing photoionization data bases in the x-ray region. To accomplish this task, we have employed the Relativistic Random-Phase-Approximation (RRPA) methodology which includes significant aspects of electron-electron correlation, including interchannel coupling. The RRPA methodology has been found to produce excellent agreement with experiment for neutral Ne at photon energies in the 1 keV range.
Sensory and short-term memory formations observed in a Ag2S gap-type atomic switch
NASA Astrophysics Data System (ADS)
Ohno, Takeo; Hasegawa, Tsuyoshi; Nayak, Alpana; Tsuruoka, Tohru; Gimzewski, James K.; Aono, Masakazu
2011-11-01
Memorization caused by the change in conductance in a Ag2S gap-type atomic switch was investigated as a function of the amplitude and width of input voltage pulses (Vin). The conductance changed little for the first few Vin, but the information of the input was stored as a redistribution of Ag-ions in the Ag2S, indicating the formation of sensory memory. After a certain number of Vin, the conductance increased abruptly followed by a gradual decrease, indicating the formation of short-term memory (STM). We found that the probability of STM formation depends strongly on the amplitude and width of Vin, which resembles the learning behavior of the human brain.
Coupled molecular and cantilever dynamics model for frequency-modulated atomic force microscopy.
Klocke, Michael; Wolf, Dietrich E
2016-01-01
A molecular dynamics model is presented, which adds harmonic potentials to the atomic interactions to mimic the elastic properties of an AFM cantilever. It gives new insight into the correlation between the experimentally monitored frequency shift and cantilever damping due to the interaction between tip atoms and scanned surface. Applying the model to ionic crystals with rock salt structure two damping mechanisms are investigated, which occur separately or simultaneously depending on the tip position. These mechanisms are adhesion hysteresis on the one hand and lateral excitations of the cantilever on the other. We find that the short range Lennard-Jones part of the atomic interaction alone is sufficient for changing the predominant mechanism. When the long range ionic interaction is switched off, the two damping mechanisms occur with a completely different pattern, which is explained by the energy landscape for the apex atom of the tip. In this case the adhesion hysteresis is always associated with a distinct lateral displacement of the tip. It is shown how this may lead to a systematic shift between the periodic patterns obtained from the frequency and from the damping signal, respectively.
Cooperative rearrangements leading to long range order in monolayers of supramolecular polymers.
Vonau, F; Aubel, D; Bouteiller, L; Reiter, G; Simon, L
2007-08-24
Using scanning tunneling microscopy (STM), we followed the self-organization process of a supramolecular polymer monolayer deposited on a gold surface. During the growth of ordered domains from small to large scales, the molecule-molecule interactions were found to overrule the coupling to the substrate, causing a reorientation of the monolayer. The flexibility at the molecular level, due to reversible hydrogen bonds, was directly visualized by STM. The supramolecules were able to slide and insert between neighboring molecules, allowing the annihilation of domain boundaries and improving long range order. Large domains were found to cross monoatomic steps on the substrate without perturbation of their order.
A modulation wave approach to the order hidden in disorder
Withers, Ray
2015-01-01
The usefulness of a modulation wave approach to understanding and interpreting the highly structured continuous diffuse intensity distributions characteristic of the reciprocal spaces of the very large family of inherently flexible materials which exhibit ordered ‘disorder’ is pointed out. It is shown that both longer range order and truly short-range order are simultaneously encoded in highly structured diffuse intensity distributions. The long-range ordered crystal chemical rules giving rise to such diffuse distributions are highlighted, along with the existence and usefulness of systematic extinction conditions in these types of structured diffuse distributions. PMID:25610629
The Nature of Verbal Short-Term Impairment in Dyslexia: The Importance of Serial Order
Majerus, Steve; Cowan, Nelson
2016-01-01
Verbal short-term memory (STM) impairment is one of the most consistent associated deficits observed in developmental reading disorders such as dyslexia. Few studies have addressed the nature of this STM impairment, especially as regards the ability to temporarily store serial order information. This question is important as studies in typically developing children have shown that serial order STM abilities are predictors of oral and written language development. Associated serial order STM deficits in dyslexia may therefore further increase the learning difficulties in these populations. In this mini review, we show that specific serial order STM impairment is frequently reported in both dyslexic children and adults with a history of dyslexia. Serial order STM impairment appears to occur for the retention of both verbal and visuo-spatial sequence information. Serial order STM impairment is, however, not a characteristic of every individual dyslexic subject and is not specific to dyslexia. Future studies need to determine whether serial order STM impairment is a risk factor which, in association with phonological processing deficits, can lead to dyslexia or whether serial order STM impairment reflects associated deficits causally unrelated to dyslexia. PMID:27752247
Classification Order of Surface-Confined Intermixing at Epitaxial Interface
NASA Astrophysics Data System (ADS)
Michailov, M.
The self-organization phenomena at epitaxial interface hold special attention in contemporary material science. Being relevant to the fundamental physical problem of competing, long-range and short-range atomic interactions in systems with reduced dimensionality, these phenomena have found exacting academic interest. They are also of great technological importance for their ability to bring spontaneous formation of regular nanoscale surface patterns and superlattices with exotic properties. The basic phenomenon involved in this process is surface diffusion. That is the motivation behind the present study which deals with important details of diffusion scenarios that control the fine atomic structure of epitaxial interface. Consisting surface imperfections (terraces, steps, kinks, and vacancies), the interface offers variety of barriers for surface diffusion. Therefore, the adatoms and clusters need a certain critical energy to overcome the corresponding diffusion barriers. In the most general case the critical energies can be attained by variation of the system temperature. Hence, their values define temperature limits of system energy gaps associated with different diffusion scenarios. This systematization imply classification order of surface alloying: blocked, incomplete, and complete. On that background, two diffusion problems, related to the atomic-scale surface morphology, will be discussed. The first problem deals with diffusion of atomic clusters on atomically smooth interface. On flat domains, far from terraces and steps, we analyzed the impact of size, shape, and cluster/substrate lattice misfit on the diffusion behavior of atomic clusters (islands). We found that the lattice constant of small clusters depends on the number N of building atoms at 1 < N ≤ 10. In heteroepitaxy, this effect of variable lattice constant originates from the enhanced charge transfer and the strong influence of the surface potential on cluster atomic arrangement. At constant
NASA Technical Reports Server (NTRS)
Huang, K.-N.; Aoyagi, M.; Mark, H.; Chen, M. H.; Crasemann, B.
1976-01-01
Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers ranging from 2 to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms over the indicated range of atomic numbers. A self-energy correction is included for the 1s, 2s, and 2p(1/2) levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.
Order Short-Term Memory Capacity Predicts Nonword Reading and Spelling in First and Second Grade
ERIC Educational Resources Information Center
Binamé, Florence; Poncelet, Martine
2016-01-01
Recent theories of short-term memory (STM) distinguish between item information, which reflects the temporary activation of long-term representations stored in the language system, and serial-order information, which is encoded in a specific representational system that is independent of the language network. Some studies examining the…
NASA Astrophysics Data System (ADS)
Žukovič, Milan; Kalagov, Georgii
2018-05-01
Critical properties of the two-dimensional X Y model involving solely nematic-like terms of the second and third orders are investigated by spin-wave analysis and Monte Carlo simulation. It is found that, even though neither of the nematic-like terms alone can induce magnetic ordering, their coexistence and competition leads to an extended phase of the magnetic quasi-long-range-order phase, wedged between the two nematic-like phases induced by the respective couplings. Thus, except for the multicritical point, at which all the phases meet, for any finite value of the coupling parameters ratio there are two phase transition: one from the paramagnetic phase to one of the two nematic-like phases followed by another one at lower temperatures to the magnetic phase. The finite-size scaling analysis indicates that the phase transitions between the magnetic and nematic-like phases belong to the Ising and three-state Potts universality classes. Inside the competition-induced algebraic magnetic phase, the spin-pair correlation function is found to decay even much more slowly than in the standard X Y model with purely magnetic interactions. Such a magnetic phase is characterized by an extremely low vortex-antivortex pair density attaining a minimum close to the point at which the two couplings are of about equal strength.
Phase decomposition and ordering in Ni-11.3 at.% Ti studied with atom probe tomography.
Al-Kassab, T; Kompatscher, M; Kirchheim, R; Kostorz, G; Schönfeld, B
2014-09-01
The decomposition behavior of Ni-rich Ni-Ti was reassessed using Tomographic Atom Probe (TAP) and Laser Assisted Wide Angle Tomographic Atom Probe. Single crystalline specimens of Ni-11.3 at.% Ti were investigated, the states selected from the decomposition path were the metastable γ″ and γ' states introduced on the basis of small-angle neutron scattering (SANS) and the two-phase model for evaluation. The composition values of the precipitates in these states could not be confirmed by APT data as the interface of the ordered precipitates may not be neglected. The present results rather suggest to apply a three-phase model for the interpretation of SANS measurements, in which the width of the interface remains nearly unchanged and the L12 structure close to 3:1 stoichiometry is maintained in the core of the precipitates from the γ″ to the γ' state. Copyright © 2014 Elsevier Ltd. All rights reserved.
Short- and medium-range 3D sensing for space applications
NASA Astrophysics Data System (ADS)
Beraldin, J. A.; Blais, Francois; Rioux, Marc; Cournoyer, Luc; Laurin, Denis G.; MacLean, Steve G.
1997-07-01
This paper focuses on the characteristics and performance of a laser range scanner (LARS) with short and medium range 3D sensing capabilities for space applications. This versatile laser range scanner is a precision measurement tool intended to complement the current Canadian Space Vision System (CSVS). Together, these vision systems are intended to be used during the construction of the International Space Station (ISS). Integration of the LARS to the CSVS will allow 3D surveying of a robotic work-site, identification of known objects from registered range and intensity images, and object detection and tracking relative to the orbiter and ISS. The data supplied by the improved CSVS will be invaluable in Orbiter rendez-vous and in assisting the Orbiter/ISS Remote Manipulator System operators. The major advantages of the LARS over conventional video-based imaging are its ability to operate with sunlight shining directly into the scanner and its immunity to spurious reflections and shadows which occur frequently in space. Because the LARS is equipped with two high-speed galvanometers to steer the laser beam, any spatial location within the field of view of the camera can be addressed. This level of versatility enables the LARS to operate in two basic scan pattern modes: (1) variable scan resolution mode and (2) raster scan mode. In the variable resolution mode, the LARS can search and track targets and geometrical features on objects located within a field of view of 30 degrees X 30 degrees and with corresponding range from about 0.5 m to 2000 m. This flexibility allows implementations of practical search and track strategies based on the use of Lissajous patterns for multiple targets. The tracking mode can reach a refresh rate of up to 137 Hz. The raster mode is used primarily for the measurement of registered range and intensity information of large stationary objects. It allows among other things: target-based measurements, feature-based measurements, and, image
Ammonia emitted into the atmosphere from agricultural sources can have an impact on nearby sensitive ecosystems either through elevated ambient concentrations or dry/wet deposition to vegetation and soil surfaces. Short-range atmospheric dispersion models are often used to assess...
NASA Astrophysics Data System (ADS)
Xue, Bin; Liu, Zhe; Yang, Jie; Feng, Liangsen; Zhang, Ning; Wang, Junxi; Li, Jinmin
2018-03-01
An off-the-shelf green laser diode (LD) was measured to investigate its temperature dependent characteristics. Performance of the device was severely restricted by rising temperature in terms of increasing threshold current and decreasing modulation bandwidth. The observation reveals that dynamic characteristics of the LD is sensitive to temperature. Influence of light attenuation on the modulation bandwidth of the green LD was also studied. The impact of light attenuation on the modulation bandwidth of the LD in short and low turbid water channel was not obvious while slight difference in modulation bandwidth under same injection level was observed between water channel and free space even at short range.
Cooperative resonances in light scattering from two-dimensional atomic arrays
NASA Astrophysics Data System (ADS)
Shahmoon, Ephraim; Wild, Dominik; Lukin, Mikhail; Yelin, Susanne
2017-04-01
We consider light scattering off a two-dimensional (2D) dipolar array and show how it can be tailored by properly choosing the lattice constant of the order of the incident wavelength. In particular, we demonstrate that such arrays can shape the emission pattern from an individual quantum emitter into a well-defined, collimated beam, and operate as a nearly perfect mirror for a wide range of incident angles and frequencies. These results can be understood in terms of the cooperative resonances of the surface modes supported by the 2D array. Experimental realizations are discussed, using ultracold arrays of trapped atoms and excitons in 2D semiconductor materials, as well as potential applications ranging from atomically thin metasurfaces to single photon nonlinear optics and nanomechanics. We acknowledge the financial support of the NSF and the MIT-Harvard Center for Ultracold Atoms.
Entanglement dynamics in short- and long-range harmonic oscillators
NASA Astrophysics Data System (ADS)
Nezhadhaghighi, M. Ghasemi; Rajabpour, M. A.
2014-11-01
We study the time evolution of the entanglement entropy in the short- and long-range-coupled harmonic oscillators that have well-defined continuum limit field theories. We first introduce a method to calculate the entanglement evolution in generic coupled harmonic oscillators after quantum quench. Then we study the entanglement evolution after quantum quench in harmonic systems in which the couplings decay effectively as 1 /rd +α with the distance r . After quenching the mass from a nonzero value to zero we calculate numerically the time evolution of von Neumann and Rényi entropies. We show that for 1 <α <2 we have a linear growth of entanglement and then saturation independent of the initial state. For 0 <α <1 depending on the initial state we can have logarithmic growth or just fluctuation of entanglement. We also calculate the mutual information dynamics of two separated individual harmonic oscillators. Our findings suggest that in our system there is no particular connection between having a linear growth of entanglement after quantum quench and having a maximum group velocity or generalized Lieb-Robinson bound.
Towards a rational approach for heavy-atom derivative screening in protein crystallography
DOE Office of Scientific and Technical Information (OSTI.GOV)
Agniswamy, Johnson; Joyce, M. Gordon; Hammer, Carl H.
2008-04-01
Heavy-atom derivatization is routinely used in protein structure determination and is thus of critical importance in structural biology. In order to replace the current trial-and-error heavy-atom derivative screening with a knowledge-based rational derivative-selection method, the reactivity of more than 40 heavy-atom compounds over a wide range of buffer and pH values was systematically examined using peptides which contained a single reactive amino-acid residue. Heavy-atom derivatization is routinely used in protein structure determination and is thus of critical importance in structural biology. In order to replace the current trial-and-error heavy-atom derivative screening with a knowledge-based rational derivative-selection method, the reactivity ofmore » more than 40 heavy-atom compounds over a wide range of buffer and pH values was systematically examined using peptides which contained a single reactive amino-acid residue. Met-, Cys- and His-containing peptides were derivatized against Hg, Au and Pt compounds, while Tyr-, Glu-, Asp-, Asn- and Gln-containing peptides were assessed against Pb compounds. A total of 1668 reactive conditions were examined using mass spectrometry and were compiled into heavy-atom reactivity tables. The results showed that heavy-atom derivatization reactions are highly linked to buffer and pH, with the most accommodating buffer being MES at pH 6. A group of 21 compounds were identified as most successful irrespective of ligand or buffer/pH conditions. To assess the applicability of the peptide heavy-atom reactivity to proteins, lysozyme crystals were derivatized with a list of peptide-reactive compounds that included both known and new compounds for lysozyme derivatization. The results showed highly consistent heavy-atom reactivities between the peptides and lysozyme.« less
Ion-Atom Cold Collisions and Atomic Clocks
NASA Technical Reports Server (NTRS)
Prestage, John D.; Maleki, Lute; Tjoelker, Robert L.
1997-01-01
Collisions between ultracold neutral atoms have for some time been the subject of investigation, initially with hydrogen and more recently with laser cooled alkali atoms. Advances in laser cooling and trapping of neutral atoms in a Magneto-Optic Trap (MOT) have made cold atoms available as the starting point for many laser cooled atomic physics investigations. The most spectacularly successful of these, the observation of Bose-Einstein Condensation (BEC) in a dilute ultra-cold spin polarized atomic vapor, has accelerated the study of cold collisions. Experimental and theoretical studies of BEC and the long range interaction between cold alkali atoms is at the boundary of atomic and low temperature physics. Such studies have been difficult and would not have been possible without the development and advancement of laser cooling and trapping of neutral atoms. By contrast, ion-atom interactions at low temperature, also very difficult to study prior to modern day laser cooling, have remained largely unexplored. But now, many laboratories worldwide have almost routine access to cold neutral atoms. The combined technologies of ion trapping, together with laser cooling of neutrals has made these studies experimentally feasible and several very important, novel applications might come out of such investigations . This paper is an investigation of ion-atom interactions in the cold and ultra-cold temperature regime. Some of the collisional ion-atom interactions present at room temperature are very much reduced in the low temperature regime. Reaction rates for charge transfer between unlike atoms, A + B(+) approaches A(+) + B, are expected to fall rapidly with temperature, approximately as T(sup 5/2). Thus, cold mixtures of atoms and ions are expected to coexist for very long times, unlike room temperature mixtures of the same ion-atom combination. Thus, it seems feasible to cool ions via collisions with laser cooled atoms. Many of the conventional collisional interactions
NASA Astrophysics Data System (ADS)
Chen, G. S.; Jaw, D. H.; Stringfellow, G. B.
1991-04-01
CuPt type ordering, which consists of a monolayer compositional modulation along one of the 4 <111> directions in the lattice, was studied using transmission electron microscopy for GaAs1-xPx with values of x extending from 0.25 to 0.85. The samples were grown by organometallic vapor phase epitaxy on nominal (001) GaAs substrates that were misoriented by varying amounts in three directions. No CuPt type ordering was observed for GaAs1-xPx with x ≤0.35, while ordering was found to occur for 0.4≤x≤0.85. The direction of substrate misorientation has a major effect on the determination of which of the four possible CuPt variants are formed for 0.4≤x≤0.85. Two variants, with ordering on the (1¯11) and (11¯1) planes, appear for epilayers grown on substrates oriented exactly on the (001) plane and for substrates misoriented by 6° towards the [110] direction. Only one variant, with ordering on the (1¯11) plane, appears for epilayers grown on substrates misoriented by 6° towards [1¯10]. These ordering-induced spots observed in transmission electron diffraction (TED) patterns for GaAsP occur only for the [110] cross section. From TED studies of GaInP grown on similar substrates, we conclude that the CuPt variants in GaAsP are exactly the same as for GaInP. Further evidence supporting this conclusion was obtained by growing first a layer of GaInP followed by a layer of GaAsP. High-resolution dark field electron micrographs show domains of the same variants in both layers. A mechanism describing the formation of the specific ordered variant for both GaAsP and GaInP is proposed. From studies of ordering in a strain-layer superlattice, the strain due to lattice mismatch was found to play no significant role in the propagation of ordered domains. Microtwins, also generated due to lattice mismatch, can act as domain boundaries and prevent the propagation of the ordered domains.
A UHF RFID system with on-chip-antenna tag for short range communication
NASA Astrophysics Data System (ADS)
Qi, Peng; Chun, Zhang; Xijin, Zhao; Zhihua, Wang
2015-05-01
A UHF RF identification system based on the 0.18 μm CMOS process has been developed for short range and harsh size requirement applications, which is composed of a fully integrated tag and a special reader. The whole tag chip with the antenna takes up an area of 0.36 mm2, which is smaller than other reported tags with an on-chip antenna (OCA) using the standard CMOS process. A self-defined protocol is proposed to reduce the power consumption, and minimize the size of the tag. The specialized SOC reader system consists of the RF transceiver, digital baseband, MCU and host interface. Its power consumption is about 500 mW. Measurement results show that the system's reading range is 2 mm with 20 dBm reader output power. With an inductive antenna printed on a paper substrate around the OCA tag, the reading range can be extended from several centimeters to meters, depending on the shape and size of the inductive antenna.
NASA Astrophysics Data System (ADS)
Gao, Zhongtang; Hu, Rui; Guo, Wei; Zhang, Chuanwei
2018-04-01
The combination of liquidus casting and thermal control solidification furnace was applied to obtain a fine-grained ingot. A rapid quenching method and x-ray diffraction measurement were used to investigate the effect of authigenic inoculation on grain refinement. The structure factor S(Q) of liquid Ni-Cr-W superalloy at 1400 °C (Liquidus temperature) and bright-field image of the microstructures quenched from 1400 °C have been measured by the high-temperature x-ray diffractometer and the transmission electron microscopy (TEM), respectively. The results show that a pre-peak exists on a S(Q) curve at the liquidus temperature. The clusters of atom in rapidly quenched microstructures obtained by isothermal heat treatment at 1400 °C were studied using TEM. Meanwhile, the effect of isothermal different temperatures on rapidly quenched microstructures was studied. The results also show that there are only the globular, equiaxed grains distributed in the solidification structure. These particles are inherited from the medium-range order structure, which is beneficial for grain refinement. The normalized work-hardening rate-strain curve indicates the work-hardening rate of fine grain is higher than that of conventional grain at the same temperature and the same deformation.
NASA Astrophysics Data System (ADS)
Gao, Zhongtang; Hu, Rui; Guo, Wei; Zhang, Chuanwei
2018-05-01
The combination of liquidus casting and thermal control solidification furnace was applied to obtain a fine-grained ingot. A rapid quenching method and x-ray diffraction measurement were used to investigate the effect of authigenic inoculation on grain refinement. The structure factor S( Q) of liquid Ni -Cr-W superalloy at 1400 °C (Liquidus temperature) and bright-field image of the microstructures quenched from 1400 °C have been measured by the high-temperature x-ray diffractometer and the transmission electron microscopy (TEM), respectively. The results show that a pre-peak exists on a S( Q) curve at the liquidus temperature. The clusters of atom in rapidly quenched microstructures obtained by isothermal heat treatment at 1400 °C were studied using TEM. Meanwhile, the effect of isothermal different temperatures on rapidly quenched microstructures was studied. The results also show that there are only the globular, equiaxed grains distributed in the solidification structure. These particles are inherited from the medium-range order structure, which is beneficial for grain refinement. The normalized work-hardening rate-strain curve indicates the work-hardening rate of fine grain is higher than that of conventional grain at the same temperature and the same deformation.
NASA Astrophysics Data System (ADS)
Emam-Ismail, M.
2015-11-01
In a broad spectral range (300-2500 nm), we report the use of channeled spectra formed from the interference of polarized white light to extract the dispersion of the phase birefringence Δnp(λ) of the x- and y-cuts of lithium tantalite (LiTaO3:LT) plates. A new method named as wavenumber difference method is used to extract the spectral behavior of the phase birefringence of the x- and y- cuts of LT plates. The correctness of the obtained birefringence data is confirmed by using Jones vector method through recalculating the plates thicknesses. The spectral variation of the phase birefringence Δnp(λ) of the x- and y-cuts of LT plates is fitted to Cauchy dispersion function with relative error for both x- and y-cuts of order 2.4×10-4. The group birefringence dispersion Δng (λ) of the x- and y-cuts of LT plates is also calculated and fitted to Ghosh dispersion function with relative error for both x- and y-cuts of order 2.83×10-4. Furthermore, the phase retardation introduced by the x- and y-cuts of LT plates is also calculated. It is found that the amount of phase retardation confirms that the x- and y-cuts of LT plates can act as a multiple order half- and quarter-wave plates working at many different wavelengths through the spectral range 300-2500 nm. For the x- and y-cuts of LT plates, a large difference between group and phase birefringence is observed at a short wavelength (λ=300 nm); while such difference progressively diminished at longer wavelength (λ=2000 nm). In the near infrared region (NIR) region (700-2500 nm), a broad spectral full width at half maximum (FWHM) is observed for either x- or y-cut of LT plate which can act as if it is working as a zero order wave plate. Finally, an achromatic half-wave plate working at 598 nm and covering a wide spectral range (300-900 nm) is demonstrated experimentally by combining both x- and y-cuts of LT plates.
Atomically Traceable Nanostructure Fabrication.
Ballard, Josh B; Dick, Don D; McDonnell, Stephen J; Bischof, Maia; Fu, Joseph; Owen, James H G; Owen, William R; Alexander, Justin D; Jaeger, David L; Namboodiri, Pradeep; Fuchs, Ehud; Chabal, Yves J; Wallace, Robert M; Reidy, Richard; Silver, Richard M; Randall, John N; Von Ehr, James
2015-07-17
Reducing the scale of etched nanostructures below the 10 nm range eventually will require an atomic scale understanding of the entire fabrication process being used in order to maintain exquisite control over both feature size and feature density. Here, we demonstrate a method for tracking atomically resolved and controlled structures from initial template definition through final nanostructure metrology, opening up a pathway for top-down atomic control over nanofabrication. Hydrogen depassivation lithography is the first step of the nanoscale fabrication process followed by selective atomic layer deposition of up to 2.8 nm of titania to make a nanoscale etch mask. Contrast with the background is shown, indicating different mechanisms for growth on the desired patterns and on the H passivated background. The patterns are then transferred into the bulk using reactive ion etching to form 20 nm tall nanostructures with linewidths down to ~6 nm. To illustrate the limitations of this process, arrays of holes and lines are fabricated. The various nanofabrication process steps are performed at disparate locations, so process integration is discussed. Related issues are discussed including using fiducial marks for finding nanostructures on a macroscopic sample and protecting the chemically reactive patterned Si(100)-H surface against degradation due to atmospheric exposure.
Atomically Traceable Nanostructure Fabrication
Ballard, Josh B.; Dick, Don D.; McDonnell, Stephen J.; Bischof, Maia; Fu, Joseph; Owen, James H. G.; Owen, William R.; Alexander, Justin D.; Jaeger, David L.; Namboodiri, Pradeep; Fuchs, Ehud; Chabal, Yves J.; Wallace, Robert M.; Reidy, Richard; Silver, Richard M.; Randall, John N.; Von Ehr, James
2015-01-01
Reducing the scale of etched nanostructures below the 10 nm range eventually will require an atomic scale understanding of the entire fabrication process being used in order to maintain exquisite control over both feature size and feature density. Here, we demonstrate a method for tracking atomically resolved and controlled structures from initial template definition through final nanostructure metrology, opening up a pathway for top-down atomic control over nanofabrication. Hydrogen depassivation lithography is the first step of the nanoscale fabrication process followed by selective atomic layer deposition of up to 2.8 nm of titania to make a nanoscale etch mask. Contrast with the background is shown, indicating different mechanisms for growth on the desired patterns and on the H passivated background. The patterns are then transferred into the bulk using reactive ion etching to form 20 nm tall nanostructures with linewidths down to ~6 nm. To illustrate the limitations of this process, arrays of holes and lines are fabricated. The various nanofabrication process steps are performed at disparate locations, so process integration is discussed. Related issues are discussed including using fiducial marks for finding nanostructures on a macroscopic sample and protecting the chemically reactive patterned Si(100)-H surface against degradation due to atmospheric exposure. PMID:26274555
NASA Astrophysics Data System (ADS)
Muller, David
2014-03-01
Even though glasses are almost ubiquitous--in our windows, on our iPhones, even on our faces--they are also mysterious. Because glasses are notoriously difficult to study, basic questions like: ``How are the atoms arranged? Where and how do glasses break?'' are still under contention. We use aberration corrected transmission electron microscopy (TEM) to image the atoms in a new two-dimensional phase of silica glass - freestanding it becomes the world's thinnest pane of glass at only 3-atoms thick, and take a unique look into these questions. Using atom-by-atom imaging and spectroscopy, we are able to reconstruct the full structure and bonding of this 2D glass and identify it as a bi-tetrahedral layer of SiO2. Our images also strikingly resemble Zachariasen's original cartoon models of glasses, drawn in 1932. As such, our work realizes an 80-year-old vision for easily understandable glassy systems and introduces promising methods to test theoretical predictions against experimental data. We image atoms in the disordered solid and track their motions in response to local strain. We directly obtain ring statistics and pair distribution functions that span short-, medium-, and long-range order, and test these against long-standing theoretical predictions of glass structure and dynamics. We use the electron beam to excite atomic rearrangements, producing surprisingly rich and beautiful videos of how a glass bends and breaks, as well as the exchange of atoms at a solid/liquid interface. Detailed analyses of these videos reveal a complex dance of elastic and plastic deformations, phase transitions, and their interplay. These examples illustrate the wide-ranging and fundamental materials physics that can now be studied at atomic-resolution via transmission electron microscopy of two-dimensional glasses. Work in collaboration with: S. Kurasch, U. Kaiser, R. Hovden, Q. Mao, J. Kotakoski, J. S. Alden, A. Shekhawat, A. A. Alemi, J. P. Sethna, P. L. McEuen, A.V. Krasheninnikov
Atomic and electronic structures of an extremely fragile liquid.
Kohara, Shinji; Akola, Jaakko; Patrikeev, Leonid; Ropo, Matti; Ohara, Koji; Itou, Masayoshi; Fujiwara, Akihiko; Yahiro, Jumpei; Okada, Junpei T; Ishikawa, Takehiko; Mizuno, Akitoshi; Masuno, Atsunobu; Watanabe, Yasuhiro; Usuki, Takeshi
2014-12-18
The structure of high-temperature liquids is an important topic for understanding the fragility of liquids. Here we report the structure of a high-temperature non-glass-forming oxide liquid, ZrO2, at an atomistic and electronic level. The Bhatia-Thornton number-number structure factor of ZrO2 does not show a first sharp diffraction peak. The atomic structure comprises ZrO5, ZrO6 and ZrO7 polyhedra with a significant contribution of edge sharing of oxygen in addition to corner sharing. The variety of large oxygen coordination and polyhedral connections with short Zr-O bond lifetimes, induced by the relatively large ionic radius of zirconium, disturbs the evolution of intermediate-range ordering, which leads to a reduced electronic band gap and increased delocalization in the ionic Zr-O bonding. The details of the chemical bonding explain the extremely low viscosity of the liquid and the absence of a first sharp diffraction peak, and indicate that liquid ZrO2 is an extremely fragile liquid.
Atomic and electronic structures of an extremely fragile liquid
Kohara, Shinji; Akola, Jaakko; Patrikeev, Leonid; Ropo, Matti; Ohara, Koji; Itou, Masayoshi; Fujiwara, Akihiko; Yahiro, Jumpei; Okada, Junpei T.; Ishikawa, Takehiko; Mizuno, Akitoshi; Masuno, Atsunobu; Watanabe, Yasuhiro; Usuki, Takeshi
2014-01-01
The structure of high-temperature liquids is an important topic for understanding the fragility of liquids. Here we report the structure of a high-temperature non-glass-forming oxide liquid, ZrO2, at an atomistic and electronic level. The Bhatia–Thornton number–number structure factor of ZrO2 does not show a first sharp diffraction peak. The atomic structure comprises ZrO5, ZrO6 and ZrO7 polyhedra with a significant contribution of edge sharing of oxygen in addition to corner sharing. The variety of large oxygen coordination and polyhedral connections with short Zr–O bond lifetimes, induced by the relatively large ionic radius of zirconium, disturbs the evolution of intermediate-range ordering, which leads to a reduced electronic band gap and increased delocalization in the ionic Zr–O bonding. The details of the chemical bonding explain the extremely low viscosity of the liquid and the absence of a first sharp diffraction peak, and indicate that liquid ZrO2 is an extremely fragile liquid. PMID:25520236
XUV and x-ray elastic scattering of attosecond electromagnetic pulses on atoms
NASA Astrophysics Data System (ADS)
Rosmej, F. B.; Astapenko, V. A.; Lisitsa, V. S.
2017-12-01
Elastic scattering of electromagnetic pulses on atoms in XUV and soft x-ray ranges is considered for ultra-short pulses. The inclusion of the retardation term, non-dipole interaction and an efficient scattering tensor approximation allowed studying the scattering probability in dependence of the pulse duration for different carrier frequencies. Numerical calculations carried out for Mg, Al and Fe atoms demonstrate that the scattering probability is a highly nonlinear function of the pulse duration and has extrema for pulse carrier frequencies in the vicinity of the resonance-like features of the polarization charge spectrum. Closed expressions for the non-dipole correction and the angular dependence of the scattered radiation are obtained.
2012-01-01
Background The three-dimensional structure of a protein can be described as a graph where nodes represent residues and the strength of non-covalent interactions between them are edges. These protein contact networks can be separated into long and short-range interactions networks depending on the positions of amino acids in primary structure. Long-range interactions play a distinct role in determining the tertiary structure of a protein while short-range interactions could largely contribute to the secondary structure formations. In addition, physico chemical properties and the linear arrangement of amino acids of the primary structure of a protein determines its three dimensional structure. Here, we present an extensive analysis of protein contact subnetworks based on the London van der Waals interactions of amino acids at different length scales. We further subdivided those networks in hydrophobic, hydrophilic and charged residues networks and have tried to correlate their influence in the overall topology and organization of a protein. Results The largest connected component (LCC) of long (LRN)-, short (SRN)- and all-range (ARN) networks within proteins exhibit a transition behaviour when plotted against different interaction strengths of edges among amino acid nodes. While short-range networks having chain like structures exhibit highly cooperative transition; long- and all-range networks, which are more similar to each other, have non-chain like structures and show less cooperativity. Further, the hydrophobic residues subnetworks in long- and all-range networks have similar transition behaviours with all residues all-range networks, but the hydrophilic and charged residues networks don’t. While the nature of transitions of LCC’s sizes is same in SRNs for thermophiles and mesophiles, there exists a clear difference in LRNs. The presence of larger size of interconnected long-range interactions in thermophiles than mesophiles, even at higher interaction
n-p Short-Range Correlations from (p,2p+n) Measurements
NASA Astrophysics Data System (ADS)
Tang, A.; Watson, J. W.; Aclander, J.; Alster, J.; Asryan, G.; Averichev, Y.; Barton, D.; Baturin, V.; Bukhtoyarova, N.; Carroll, A.; Gushue, S.; Heppelmann, S.; Leksanov, A.; Makdisi, Y.; Malki, A.; Minina, E.; Navon, I.; Nicholson, H.; Ogawa, A.; Panebratsev, Yu.; Piasetzky, E.; Schetkovsky, A.; Shimanskiy, S.; Zhalov, D.
2003-01-01
We studied the 12C(p,2p+n) reaction at beam momenta of 5.9, 8.0, and 9.0 GeV/c. For quasielastic (p,2p) events pf, the momentum of the knocked-out proton before the reaction, was compared (event by event) with pn, the coincident neutron momentum. For |pn|>kF=0.220 GeV/c (the Fermi momentum) a strong back-to-back directional correlation between pf and pn was observed, indicative of short-range n-p correlations. From pn and pf we constructed the distributions of c.m. and relative motion in the longitudinal direction for correlated pairs. We also determined that 49±13% of events with |pf|>kF had directionally correlated neutrons with |pn|>kF.
A high performance totally ordered multicast protocol
NASA Technical Reports Server (NTRS)
Montgomery, Todd; Whetten, Brian; Kaplan, Simon
1995-01-01
This paper presents the Reliable Multicast Protocol (RMP). RMP provides a totally ordered, reliable, atomic multicast service on top of an unreliable multicast datagram service such as IP Multicasting. RMP is fully and symmetrically distributed so that no site bears un undue portion of the communication load. RMP provides a wide range of guarantees, from unreliable delivery to totally ordered delivery, to K-resilient, majority resilient, and totally resilient atomic delivery. These QoS guarantees are selectable on a per packet basis. RMP provides many communication options, including virtual synchrony, a publisher/subscriber model of message delivery, an implicit naming service, mutually exclusive handlers for messages, and mutually exclusive locks. It has commonly been held that a large performance penalty must be paid in order to implement total ordering -- RMP discounts this. On SparcStation 10's on a 1250 KB/sec Ethernet, RMP provides totally ordered packet delivery to one destination at 842 KB/sec throughput and with 3.1 ms packet latency. The performance stays roughly constant independent of the number of destinations. For two or more destinations on a LAN, RMP provides higher throughput than any protocol that does not use multicast or broadcast.
2D fluorescence spectra measurement of six kinds of bioagents simulants by short range Lidar
NASA Astrophysics Data System (ADS)
Sanpedro, Man
2018-02-01
Pantoea agglomerans (Pan), Staphylococcus aureus (Sta), Bacillus globigii (BG) and Escherichia coli (EH), these four kinds of bioagents simulants of were cultured and then their growth curves were measured, the generation time was 0.99h, 0.835h, 1.07h and 1.909h, respectively. A small short range fluorescence lidar working at wavelengths of 266nm and 355nm was designed and used to measure the two-dimensional fluorescence spectra of bioagents simulants in the amino acid segment and NADH segment, respectively. In a controllable fluorescence measurement chamber, the two-dimensional fluorescence spectra of vegetative liquid bacterial aerosols as well as BSA and OVA, two protein toxinic simulants were measured with a resolution of 4nm. The two-dimensional fluorescence spectral shape of Pan, Sta, EH and BG, BSA and OVA were consistent with the standard fluorescent component tryptophan in the amino acid band with FWHM of 60nm, but the central wavelength of the fluorescence spectra of these simulants blue/purple shifted obviously as affected by the external biochemical environment, concentration and ratio of different bacterial internal fluorophores, so the energy level between the excited state and the ground state of the fluorescence molecule increased. Differently, weak NADH fluorescence spectra with 100nm FWHM inside the four vegetative bacteria aerosols were detected, but Rayleigh scattering, Raman scattering contribution of water, nitrogen in the fluorescence spectra could not be effectively extracted. The second - order derivative fluorescence spectra of four simulants showed that the high - order processing and recognition of the fluorescence spectra was feasible.
Determining the location and nearest neighbours of aluminium in zeolites with atom probe tomography
Perea, Daniel E.; Arslan, Ilke; Liu, Jia; ...
2015-07-02
Zeolite catalysis is determined by a combination of pore architecture and Brønsted acidity. As Brønsted acid sites are formed by the substitution of AlO4 for SiO4 tetrahedra, it is of utmost importance to have information on the number as well as the location and neighbouring sites of framework aluminium. Unfortunately, such detailed information has not yet been obtained, mainly due to the lack of suitable characterization methods. Here we report, using the powerful atomic-scale analysis technique known as atom probe tomography, the quantitative spatial distribution of individual aluminium atoms, including their three-dimensional extent of segregation. Ultimately, using a nearest-neighbour statisticalmore » analysis, we precisely determine the short-range distribution of aluminium over the different T-sites and determine the most probable Al–Al neighbouring distance within parent and steamed ZSM-5 crystals, as well as assess the long-range redistribution of aluminium upon zeolite steaming.« less
Determining the location and nearest neighbours of aluminium in zeolites with atom probe tomography
DOE Office of Scientific and Technical Information (OSTI.GOV)
Perea, Daniel E.; Arslan, Ilke; Liu, Jia
Zeolite catalysis is determined by a combination of pore architecture and Brønsted acidity. As Brønsted acid sites are formed by the substitution of AlO4 for SiO4 tetrahedra, it is of utmost importance to have information on the number as well as the location and neighbouring sites of framework aluminium. Unfortunately, such detailed information has not yet been obtained, mainly due to the lack of suitable characterization methods. Here we report, using the powerful atomic-scale analysis technique known as atom probe tomography, the quantitative spatial distribution of individual aluminium atoms, including their three-dimensional extent of segregation. Ultimately, using a nearest-neighbour statisticalmore » analysis, we precisely determine the short-range distribution of aluminium over the different T-sites and determine the most probable Al–Al neighbouring distance within parent and steamed ZSM-5 crystals, as well as assess the long-range redistribution of aluminium upon zeolite steaming.« less
NASA Technical Reports Server (NTRS)
Banks, Bruce A.
2011-01-01
This innovation enables a means for actively measuring atomic oxygen fluence (accumulated atoms of atomic oxygen per area) that has impinged upon spacecraft surfaces. Telemetered data from the device provides spacecraft designers, researchers, and mission managers with real-time measurement of atomic oxygen fluence, which is useful for prediction of the durability of spacecraft materials and components. The innovation is a compact fluence measuring device that allows in-space measurement and transmittance of measured atomic oxygen fluence as a function of time based on atomic oxygen erosion yields (the erosion yield of a material is the volume of material that is oxidized per incident oxygen atom) of materials that have been measured in low Earth orbit. It has a linear electrical response to atomic oxygen fluence, and is capable of measuring high atomic oxygen fluences (up to >10(exp 22) atoms/sq cm), which are representative of multi-year low-Earth orbital missions (such as the International Space Station). The durability or remaining structural lifetime of solar arrays that consist of polymer blankets on which the solar cells are attached can be predicted if one knows the atomic oxygen fluence that the solar array blanket has been exposed to. In addition, numerous organizations that launch space experiments into low-Earth orbit want to know the accumulated atomic oxygen fluence that their materials or components have been exposed to. The device is based on the erosion yield of pyrolytic graphite. It uses two 12deg inclined wedges of graphite that are over a grit-blasted fused silica window covering a photodiode. As the wedges erode, a greater area of solar illumination reaches the photodiode. A reference photodiode is also used that receives unobstructed solar illumination and is oriented in the same direction as the pyrolytic graphite covered photodiode. The short-circuit current from the photodiodes is measured and either sent to an onboard data logger, or
Testing atomic mass models with radioactive beams
DOE Office of Scientific and Technical Information (OSTI.GOV)
Haustein, P.E.
1989-01-01
Significantly increased yields of new or poorly characterized exotic isotopes that lie far from beta-decay stability can be expected when radioactive beams are used to produce these nuclides. Measurements of the masses of these new species are very important. Such measurements are motivated by the general tendency of mass models to diverge from one another upon excursions from the line of beta-stability. Therefore in these regions (where atomic mass data are presently nonexistent or sparse) the models can be tested rigorously to highlight the features that affect the quality of their short-range and long-range extrapolation properties. Selection of systems tomore » study can be guided, in part, by a desire to probe those mass regions where distinctions among mass models are most apparent and where yields of exotic isotopes, produced via radioactive beams, can be optimized. Identification of models in such regions that have good predictive properties will aid materially in guiding the selection of additional experiments which ultimately will provide expansion of the atomic mass database for further refinement of the mass models. 6 refs., 5 figs.« less
The 4th order GISS model of the global atmosphere
NASA Technical Reports Server (NTRS)
Kalnay-Rivas, E.; Bayliss, A.; Storch, J.
1977-01-01
The new GISS 4th order model of the global atmosphere is described. It is based on 4th order quadratically conservative differences with the periodic application of a 16th order filter on the sea level pressure and potential temperature equations, a combination which is approximately enstrophy conserving. Several short range forecasts indicate a significant improvement over 2nd order forecasts with the same resolution (approximately 400 km). However the 4th order forecasts are somewhat inferior to 2nd order forecasts with double resolution. This is probably due to the presence of short waves in the range between 1000 km and 2000 km, which are computed more accurately by the 2nd order high resolution model. An operation count of the schemes indicates that with similar code optimization, the 4th order model will require approximately the same amount of computer time as the 2nd order model with the same resolution. It is estimated that the 4th order model with a grid size of 200 km provides enough accuracy to make horizontal truncation errors negligible over a period of a week for all synoptic scales (waves longer than 1000 km).
Fast Atom Ionization in Strong Electromagnetic Radiation
NASA Astrophysics Data System (ADS)
Apostol, M.
2018-05-01
The Goeppert-Mayer and Kramers-Henneberger transformations are examined for bound charges placed in electromagnetic radiation in the non-relativistic approximation. The consistent inclusion of the interaction with the radiation field provides the time evolution of the wavefunction with both structural interaction (which ensures the bound state) and electromagnetic interaction. It is shown that in a short time after switching on the high-intensity radiation the bound charges are set free. In these conditions, a statistical criterion is used to estimate the rate of atom ionization. The results correspond to a sudden application of the electromagnetic interaction, in contrast with the well-known ionization probability obtained by quasi-classical tunneling through classically unavailable non-stationary states, or other equivalent methods, where the interaction is introduced adiabatically. For low-intensity radiation the charges oscillate and emit higher-order harmonics, the charge configuration is re-arranged and the process is resumed. Tunneling ionization may appear in these circumstances. Extension of the approach to other applications involving radiation-induced charge emission from bound states is discussed, like ionization of molecules, atomic clusters or proton emission from atomic nuclei. Also, results for a static electric field are included.
NASA Astrophysics Data System (ADS)
Dulieu, O.; Hall, F. H. J.; Eberle, P.; Hegi, G.; Raoult, M.; Aymar, M.; Willitsch, S.
2013-05-01
Cold chemical reactions between laser-cooled Ca+ or Ba+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the collision energy range Ecoll /kB = 20 mK-20 K. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes including the radiative formation of CaRb+ and BaRb+ molecular ions has been analyzed using accurate potential energy curves and quantum-scattering calculations for the radiative channels. It is shown that the energy dependence of the reaction rates is governed by long-range interactions, while its magnitude is determined by short-range non-adiabatic and radiative couplings. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral collisions. This work was supported by the Swiss National Science Foundation and the COST Action ''Ion Traps for Tomorrow's Applications''.
Quantifying indices of short- and long-range white matter connectivity at each cortical vertex
Scariati, Elisa; Mutlu, A. Kadir; Zöller, Daniela; Schneider, Maude; Eliez, Stephan
2017-01-01
Several neurodevelopmental diseases are characterized by impairments in cortical morphology along with altered white matter connectivity. However, the relationship between these two measures is not yet clear. In this study, we propose a novel methodology to compute and display metrics of white matter connectivity at each cortical point. After co-registering the extremities of the tractography streamlines with the cortical surface, we computed two measures of connectivity at each cortical vertex: the mean tracts’ length, and the proportion of short- and long-range connections. The proposed measures were tested in a clinical sample of 62 patients with 22q11.2 deletion syndrome (22q11DS) and 57 typically developing individuals. Using these novel measures, we achieved a fine-grained visualization of the white matter connectivity patterns at each vertex of the cortical surface. We observed an intriguing pattern of both increased and decreased short- and long-range connectivity in 22q11DS, that provides novel information about the nature and topology of white matter alterations in the syndrome. We argue that the method presented in this study opens avenues for additional analyses of the relationship between cortical properties and patterns of underlying structural connectivity, which will help clarifying the intrinsic mechanisms that lead to altered brain structure in neurodevelopmental disorders. PMID:29141024
Quantifying indices of short- and long-range white matter connectivity at each cortical vertex.
Padula, Maria Carmela; Schaer, Marie; Scariati, Elisa; Mutlu, A Kadir; Zöller, Daniela; Schneider, Maude; Eliez, Stephan
2017-01-01
Several neurodevelopmental diseases are characterized by impairments in cortical morphology along with altered white matter connectivity. However, the relationship between these two measures is not yet clear. In this study, we propose a novel methodology to compute and display metrics of white matter connectivity at each cortical point. After co-registering the extremities of the tractography streamlines with the cortical surface, we computed two measures of connectivity at each cortical vertex: the mean tracts' length, and the proportion of short- and long-range connections. The proposed measures were tested in a clinical sample of 62 patients with 22q11.2 deletion syndrome (22q11DS) and 57 typically developing individuals. Using these novel measures, we achieved a fine-grained visualization of the white matter connectivity patterns at each vertex of the cortical surface. We observed an intriguing pattern of both increased and decreased short- and long-range connectivity in 22q11DS, that provides novel information about the nature and topology of white matter alterations in the syndrome. We argue that the method presented in this study opens avenues for additional analyses of the relationship between cortical properties and patterns of underlying structural connectivity, which will help clarifying the intrinsic mechanisms that lead to altered brain structure in neurodevelopmental disorders.
Probing New Long-Range Interactions by Isotope Shift Spectroscopy
DOE Office of Scientific and Technical Information (OSTI.GOV)
Berengut, Julian C.; Budker, Dmitry; Delaunay, Cédric
We explore a method to probe new long- and intermediate-range interactions using precision atomic isotope shift spectroscopy. We develop a formalism to interpret linear King plots as bounds on new physics with minimal theory inputs. We focus only on bounding the new physics contributions that can be calculated independently of the standard model nuclear effects. We apply our method to existing Ca + data and project its sensitivity to conjectured new bosons with spin-independent couplings to the electron and the neutron using narrow transitions in other atoms and ions, specifically, Sr and Yb. Future measurements are expected to improve themore » relative precision by 5 orders of magnitude, and they can potentially lead to an unprecedented sensitivity for bosons within the 0.3 to 10 MeV mass range.« less
Probing New Long-Range Interactions by Isotope Shift Spectroscopy.
Berengut, Julian C; Budker, Dmitry; Delaunay, Cédric; Flambaum, Victor V; Frugiuele, Claudia; Fuchs, Elina; Grojean, Christophe; Harnik, Roni; Ozeri, Roee; Perez, Gilad; Soreq, Yotam
2018-03-02
We explore a method to probe new long- and intermediate-range interactions using precision atomic isotope shift spectroscopy. We develop a formalism to interpret linear King plots as bounds on new physics with minimal theory inputs. We focus only on bounding the new physics contributions that can be calculated independently of the standard model nuclear effects. We apply our method to existing Ca^{+} data and project its sensitivity to conjectured new bosons with spin-independent couplings to the electron and the neutron using narrow transitions in other atoms and ions, specifically, Sr and Yb. Future measurements are expected to improve the relative precision by 5 orders of magnitude, and they can potentially lead to an unprecedented sensitivity for bosons within the 0.3 to 10 MeV mass range.
Probing New Long-Range Interactions by Isotope Shift Spectroscopy
Berengut, Julian C.; Budker, Dmitry; Delaunay, Cédric; ...
2018-02-26
We explore a method to probe new long- and intermediate-range interactions using precision atomic isotope shift spectroscopy. We develop a formalism to interpret linear King plots as bounds on new physics with minimal theory inputs. We focus only on bounding the new physics contributions that can be calculated independently of the standard model nuclear effects. We apply our method to existing Ca + data and project its sensitivity to conjectured new bosons with spin-independent couplings to the electron and the neutron using narrow transitions in other atoms and ions, specifically, Sr and Yb. Future measurements are expected to improve themore » relative precision by 5 orders of magnitude, and they can potentially lead to an unprecedented sensitivity for bosons within the 0.3 to 10 MeV mass range.« less
Bond lifetime and diffusion coefficient in colloids with short-range interactions.
Ndong Mintsa, E; Germain, Ph; Amokrane, S
2015-03-01
We use molecular dynamics simulations to study the influence of short-range structures in the interaction potential between hard-sphere-like colloidal particles. Starting from model potentials and effective potentials in binary mixtures computed from the Ornstein-Zernike equations, we investigate the influence of the range and strength of a possible tail beyond the usual core repulsion or the presence of repulsive barriers. The diffusion coefficient and mean "bond" lifetimes are used as indicators of the effect of this structure on the dynamics. The existence of correlations between the variations of these quantities with the physical parameters is discussed to assess the interpretation of dynamics slowing down in terms of long-lived bonds. We also discuss the question of a universal behaviour determined by the second virial coefficient B ((2)) and the interplay of attraction and repulsion. While the diffusion coefficient follows the B ((2)) law for purely attractive tails, this is no longer true in the presence of repulsive barriers. Furthermore, the bond lifetime shows a dependence on the physical parameters that differs from that of the diffusion coefficient. This raises the question of the precise role of bonds on the dynamics slowing down in colloidal gels.
An initial analysis of short- and medium-range correlations potential non-Pt catalysts in CoNx
NASA Astrophysics Data System (ADS)
Peterson, Joe
2009-10-01
A potential show stopper for the development of fuel cells for the commercial automotive industry is the design of low-cost catalysts. The best catalysts are based on platinum, which is a rare and expensive noble metal. Our group has been involved in the characterization of potential materials for non-Pt catalysts. In this presentation, I will present some preliminary neutron scattering data from a nanocrystalline powder sample of CoNx. It is apparent that the diffraction data cannot be analyzed with standard Riedveld refinement, and we have to invoke pair distribution function (PDF) analysis. The PDF provides insight into short-range correlations, as it measures the probabilities of short- and mid-range interatomic distances in a material. The analysis reveals a strong incoherent scattering response, which is indicative of the presence of hydrogen in the sample. After correcting for the incoherent scattering, one obtains the normalized scattering function S(Q), whose Fourier transform yields the PDF.
An initial analysis of short- and medium-range correlations potential non-Pt catalysts in CoNx
NASA Astrophysics Data System (ADS)
Peterson, Joe
2010-03-01
A potential show stopper for the development of fuel cells for the commercial automotive industry is the design of low-cost catalysts. The best catalysts are based on platinum, which is a rare and expensive noble metal. Our group has been involved in the characterization of potential materials for non-Pt catalysts. In this presentation, I will present some preliminary neutron scattering data from a nanocrystalline powder sample of CoNx. It is apparent that the diffraction data cannot be analyzed with standard Riedveld refinement, and we have to invoke pair distribution function (PDF) analysis. The PDF provides insight into short-range correlations, as it measures the probabilities of short- and mid-range interatomic distances in a material. The analysis reveals a strong incoherent scattering response, which is indicative of the presence of hydrogen in the sample. After correcting for the incoherent scattering, one obtains the normalized scattering function S(Q), whose Fourier transform yields the PDF.
NASA Technical Reports Server (NTRS)
deGroh, Kim D.; Banks, Bruce A.; Clark, Gregory W.; Hammerstrom, Anne; Youngstrom, Erica; Kaminski, Carolyn; Fine, Elizabeth; Marx, Laura
2001-01-01
A recession measurement technique has been developed at the NASA Glenn Research Center to determine the atomic oxygen durability of polymers exposed to the space environment for short durations. Polymers such as polyimide Kapton and Teflon FEP (fluorinated ethylene propylene, DuPont) are commonly used in spacecraft because of their desirable properties, such as flexibility, low density, and in the case of FEP, low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low- Earth-orbit environment are exposed to energetic atomic oxygen, resulting in erosion and potential structural loss. It is, therefore, important to understand the atomic oxygen erosion yield (E, the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. Because long-term space exposure data are rare and very costly, short-term exposures, such as on the space shuttles, are often relied on for atomic oxygen erosion determination. The most common technique for determining E is through mass-loss measurements. For limited-duration exposure experiments, such as shuttle flight experiments, the atomic oxygen fluence is often so small that mass-loss measurements are not sensitive enough. Therefore, a recession measurement technique has been developed at Glenn to obtain accurate erosion yields of polymers exposed to low atomic oxygen fluences.