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

PubMed

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.

Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si

DOE PAGES

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

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.

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.

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.

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).

Auxiliary-fermion approach to critical fluctuations in the two-dimensional quantum antiferromagnetic Heisenberg model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brinckmann, Jan; Woelfle, Peter

2004-11-01

The nearest-neighbor quantum antiferromagnetic (AF) Heisenberg model for spin-1/2 on a two-dimensional square lattice is studied in the auxiliary-fermion representation. Expressing spin operators by canonical fermionic particles requires a constraint on the fermion charge Q{sub i}=1 on each lattice site i, which is imposed approximately through the thermal average. The resulting interacting fermion system is first treated in mean-field theory (MFT), which yields an AF ordered ground state and spin waves in quantitative agreement with conventional spin-wave theory. At finite temperature a self-consistent approximation beyond mean field is required in order to fulfill the Mermin-Wagner theorem. We first discuss amore » fully self-consistent approximation, where fermions are renormalized due to fluctuations of their spin density, in close analogy to FLEX. While static properties like the correlation length, {xi}(T){proportional_to}exp(aJ/T), come out correctly, the dynamical response lacks the magnon-like peaks which would reflect the appearance of short-range order at low T. This drawback, which is caused by overdamping, is overcome in a 'minimal self-consistent approximation' (MSCA), which we derive from the equations of motion. The MSCA features dynamical scaling at small energy and temperature and is qualitatively correct both in the regime of order-parameter relaxation at long wavelengths {lambda}>{xi} and in the short-range-order regime at {lambda}<{xi}. We also discuss the impact of vertex corrections and the problem of pseudo-gap formation in the single-particle density of states due to long-range fluctuations. Finally we show that the (short-range) magnetic order in MFT and MSCA helps to fulfill the constraint on the local fermion occupancy.« less

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.

A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states.

PubMed

Rohrdanz, Mary A; Martins, Katie M; Herbert, John M

2009-02-07

We introduce a hybrid density functional that asymptotically incorporates full Hartree-Fock exchange, based on the long-range-corrected exchange-hole model of Henderson et al. [J. Chem. Phys. 128, 194105 (2008)]. The performance of this functional, for ground-state properties and for vertical excitation energies within time-dependent density functional theory, is systematically evaluated, and optimal values are determined for the range-separation parameter, omega, and for the fraction of short-range Hartree-Fock exchange. We denote the new functional as LRC-omegaPBEh, since it reduces to the standard PBEh hybrid functional (also known as PBE0 or PBE1PBE) for a certain choice of its two parameters. Upon optimization of these parameters against a set of ground- and excited-state benchmarks, the LRC-omegaPBEh functional fulfills three important requirements: (i) It outperforms the PBEh hybrid functional for ground-state atomization energies and reaction barrier heights; (ii) it yields statistical errors comparable to PBEh for valence excitation energies in both small and medium-sized molecules; and (iii) its performance for charge-transfer excitations is comparable to its performance for valence excitations. LRC-omegaPBEh, with the parameters determined herein, is the first density functional that satisfies all three criteria. Notably, short-range Hartree-Fock exchange appears to be necessary in order to obtain accurate ground-state properties and vertical excitation energies using the same value of omega.

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

DOE PAGES

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

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.

Simultaneous occurrence of multiferroism and short-range magnetic order in DyFeO 3

DOE PAGES

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

2016-04-06

In this paper, we present a combined neutron scattering and magnetization study on the multiferroic 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

Long-range interactions in magnetic bilayer above the critical temperature

NASA Astrophysics Data System (ADS)

de Souza, R. M. V.; Pereira, T. A. S.; Godoy, M.; de Arruda, A. S.

2018-01-01

In this paper we have studied the stabilization of the long-range order in (z ; x) -plane of two isotropic Heisenberg ferromagnetic monolayers coupled by a short-range exchange interaction (J⊥), by a long range dipole-dipole interactions and a magnetic field. We have applied a magnetic field along of the z-direction to study the thermodynamic properties above the critical temperature. The dispersion relation ω and the magnetization are given as function of dipolar anisotropy parameter defined as Ed =(gμ) 2 S /a3J∥ and for other Hamiltonian parameters, and they are calculated by the double-time Zubarev-Tyablikov Green's functions in the random-phase approximation (RPA). The results show that the system is unstable for values of Ed ≥ 0.012 with external magnetic field ranging between H /J∥ = 0 and 10-3. The instability appears for Ed larger then Edc = 0.0158 with H /J∥ = 10-5, Edc = 0.02885 with H /J∥ = 10-4, and Edc = 0.115 with H /J∥ = 10-3, i.e., a small magnetic field is sufficient to maintain the magnetic order in a greater range of the dipolar interaction.

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

NASA Astrophysics Data System (ADS)

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

2013-05-01

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

5f delocalization-induced suppression of quadrupolar order in U(Pd 1-xPt x)₃

DOE PAGES

Walker, H. C.; Le, M. D.; McEwen, K. A.; ...

2011-12-27

We present bulk magnetic and transport measurements and x-ray resonant scattering measurements on U(Pd 1-xPt x)₃ for x=0.005 and 0.01, which demonstrate the high sensitivity of the quadrupolar order in the canonical antiferroquadrupolar ordered system UPd₃ to doping with platinum. Bulk measurements for x=0.005 reveal behavior similar to that seen in UPd₃, albeit at a lower temperature, and x-ray resonant scattering provides evidence of quadrupolar order described by the Q xy order parameter. In contrast, bulk measurements reveal only an indistinct transition in x=0.01, consistent with the observation of short-range quadrupolar order in our x-ray resonant scattering results.

Exploring the free-energy landscape of a short peptide using an average force

NASA Astrophysics Data System (ADS)

Chipot, Christophe; Hénin, Jérôme

2005-12-01

The reversible folding of deca-alanine is chosen as a test case for characterizing a method that uses an adaptive biasing force (ABF) to escape from the minima and overcome the barriers of the free-energy landscape. This approach relies on the continuous estimation of a biasing force that yields a Hamiltonian in which no average force is exerted along the ordering parameter ξ. Optimizing the parameters that control how the ABF is applied, the method is shown to be extremely effective when a nonequivocal ordering parameter can be defined to explore the folding pathway of the peptide. Starting from a β-turn motif and restraining ξ to a region of the conformational space that extends from the α-helical state to an ensemble of extended structures, the ABF scheme is successful in folding the peptide chain into a compact α helix. Sampling of this conformation is, however, marginal when the range of ξ values embraces arrangements of greater compactness, hence demonstrating the inherent limitations of free-energy methods when ambiguous ordering parameters are utilized.

Robust edge states in amorphous gyromagnetic photonic lattices

NASA Astrophysics Data System (ADS)

Mansha, Shampy; Chong, Y. D.

2017-09-01

We numerically study amorphous analogs of a two-dimensional photonic Chern insulator. The amorphous lattices consist of gyromagnetic rods that break time-reversal symmetry, with the lattice sites generated by a close-packing algorithm. The level of short-range order is adjustable, and there is no long-range order. The topologically nontrivial gaps of the photonic Chern insulator are found to persist into the amorphous regime, so long as there is sufficient short-range order. Strongly nonreciprocal robust transmission occurs via edge states, which are shown to propagate ballistically despite the absence of long-range order, and to be exponentially localized along the lattice edge. Interestingly, there is an enhancement of nonreciprocal transmission even at very low levels of short-range order, where there are no discernible spectral gaps.

X-ray-diffraction study of in-plane and interlayer correlations in layered compounds AgxTiS2

NASA Astrophysics Data System (ADS)

Kuroiwa, Yoshihiro; Ohshima, Ken-Ichi; Watanabe, Yousuke

1990-12-01

X-ray measurements have been performed on the development of in-plane and interplanar correlations of intercalated Ag atoms in stage-2 and -1 AgxTiS2 single crystals. The abrupt change of the c-axis parameter for stage-2 Ag0.15TiS2 at around 250 K, due to the structural transformation of the stacking sequence, was observed, although the a-axis parameter changes continuously. Rodlike diffuse scattering parallel to c* at 1/31/3.0, 2/32/3.0, and their equivalent positions is observed for stage-2 Ag0.15TiS2 above 250 K and shows the two-dimensional (2D) feature of the disordered state. Such a diffuse rod is modulated below 250 K, with maxima appearing at every half-integer. This reveals an enhancement of the three-dimensional nature and a stacking sequence αβαβ... . By analyzing rodlike diffuse scattering at 350, 300, 280, and 250 K for stage-2 Ag0.15TiS2, the 2D short-range-order parameters were determined. By comparing the 2D short-range-order parameters with the 2D Ornstein-Zernike correlation function, it was obtained that the correlation length varies from 4.1+/-0.6 Å at 350 K to 37.1+/-1.6 Å at 250 K. These results can be interpreted with the use of the Daumas-Hérold island model. On the other hand, for stage-1 AgxTiS2, the modulation of the diffuse rod parallel to the c* axis at 1/31/3.0, 2/32/3.0, and their equivalent positions was observed at room temperature, which shows the 3D nature.

Influence of nematic range on birefringence, heat capacity and elastic modulus near a nematic-smectic-A phase transition

NASA Astrophysics Data System (ADS)

Beaubois, F.; Claverie, T.; Marcerou, J. P.; Rouillon, J. C.; Nguyen, H. T.; Garland, C. W.; Haga, H.

1997-11-01

The birefringence Δn, the specific heat Cp, and the layer compressional elastic modulus B are reported for two liquid crystals near the nematic (N) to smectic-A (SmA) phase transition. As predicted long ago by MacMillan and de Gennes [P. G. de Gennes and J. Prost, The Physics of Liquid Crystals (Clarendon, Oxford, 1993)] the coupling of the nematic orientational order parameter to the smectic-A layering order parameter can substantially alter the critical behavior near the N-SmA transition if the nematic range is small and the nematic order parameter susceptibility is large. In this paper, we present a direct experimental comparison of two compounds: 4-octyloxy-4'-cyanobiphenyl (8OCB) with a short nematic range and 4-octyloxybenzoyloxy-4'-cyanotolane (C8tolane) with a very large N range. The temperature variations of the apparent birefringence Δn and the specific heat Cp across the N-SmA phase transition show the definite influence of the proximity of the isotropic phase in the case of 8OCB while the C8tolane behaves as expected for the three-dimensional XY universality class. The elastic modulus B in the SmA phase, measured at several wave vectors by the second-sound resonance technique, was studied with high resolution as a function of temperature on approaching Tc(N-SmA). These elastic data confirm the B leveling off in both cases with an apparent breakdown of hydrodynamics in the case of the C8tolane compound.

Trends in currency’s return

NASA Astrophysics Data System (ADS)

Tan, A.; Shahrill, M.; Daud, S.; Leung, E.

2018-03-01

The purpose of this paper is to show that short-ranged dependence prevailed for Singapore-Malaysia exchange. Although, it is perceived that there is some evidence of long-ranged dependence [1,2], it is still unclear whether Singapore-Malaysia exchange indeed exhibits long-ranged dependence. For this paper, we focus on the currency rate for a sixteen-year period ranging from September 2002 to September 2017. We estimate the Hurst parameter using the famous rescaled R/S statistics technique. From our analysis, we showed that the Hurst parameter is approximately 0.5 which indicates short-ranged dependence. This short memory property is further validated by performing a one-tailed z-test whose alternative hypothesis is that the Hurst parameter is not 0.5 at 1% significance level. We conclude that the alternative hypothesis is rejected. The existence of short memory proves that the behaviour of the exchange rate is unpredictable, supporting the efficient market hypothesis, which states that not only is price movement completely random but also tomorrow’s prices are predicted by all the information in today’s prices.

Classical Spin Nematic Transition in LiGa0.95In0.05Cr4O8

NASA Astrophysics Data System (ADS)

Wawrzyńczak, R.; Tanaka, Y.; Yoshida, M.; Okamoto, Y.; Manuel, P.; Casati, N.; Hiroi, Z.; Takigawa, M.; Nilsen, G. J.

2017-08-01

We present the results of a combined 7Li -NMR and diffraction study on LiGa0.95In0.05Cr4O8, a member of the LiGa1 -xInxCr4O8 "breathing" pyrochlore family. Via specific heat and NMR measurements, we find that the complex sequence of first-order transitions observed for LiGaCr4O8 is replaced by a single second-order transition at Tf=11 K . Neutron and x-ray diffraction rule out both structural symmetry lowering and magnetic long-range order as the origin of this transition. Instead, reverse Monte Carlo fitting of the magnetic diffuse scattering indicates that the low-temperature phase may be described as a collinear spin nematic state, characterized by a quadrupolar order parameter. This state also shows signs of short-range order between collinear spin arrangements on tetrahedra, revealed by mapping the reverse Monte Carlo spin configurations onto a three-state color model.

Effects of fragility and reduced glass transition temperature on the glass formation ability of amorphous alloys

NASA Astrophysics Data System (ADS)

Xu, Xiao-Jin; Long, Zhi-Lin; Liu, Wei; Liao, Guang-Kai

2017-11-01

In this paper, based on the reduced glass transition temperature ({{T}rg} ) proposed by Turnbull and the relation between the glass-forming ability (GFA) and the short-range bond ordering of liquids demonstrated by Tanaka, a detailed analysis on the specific roles of {{T}rg} and fragility of the glass forming liquid (m) in characterizing the GFA has been conducted, and then a novel GFA parameter α [=2/3× (100{{T}rg}{)}-(16/100)× m=67{{T}rg}-0.16m] was put forward. This new GFA parameter α , which increases with a decrease in the critical cooling rate (R c) for glass formation, is a complex function of {{T}rg} and m. The relationship between R c and the parameter α was identified and verified using available literature data for broad range of amorphous alloys with widely varying GFA. The correlation coefficient (R 2) of 0.9 clearly shows an excellent correlation between GFA and the parameter α and that α is a more superior indicator compared to currently reported similar GFA parameters.

Molecular order and functional properties of starches from three waxy wheat varieties grown in China.

PubMed

Wang, Shujun; Wang, Jinrong; Zhang, Wei; Li, Caili; Yu, Jinglin; Wang, Shuo

2015-08-15

Molecular order and functional properties of starch from three waxy wheat varieties grown in China were investigated by a combination of various technical analyses. The total starch content of the waxy wheat ranged between 54.1% and 55.0%, and the amylose content of the starch was between 0.71% and 1.63%. Average particle diameter of the three starches varied between 16.5 and 17.4 μm. Three waxy wheat starches presented the typical A-type X-ray diffraction pattern, with relative crystallinity between 38.7% and 40.0%. No significant differences were observed in relative crystallinity, IR ratios of 1047/1022 cm(-1) and 1022/995 cm(-1), and FWHH of the band at 480 cm(-1), indicating the similarity in long-range order of crystallites and short-range order of double helices of three starch granules. Small differences were observed in swelling power, gelatinization parameters, pasting viscosities, and in vitro enzymatic digestibility of three waxy wheat starches. Under the stored condition, no retrogradation occurred for three waxy wheat starches. Copyright © 2015 Elsevier Ltd. All rights reserved.

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.

Amorphous photonic crystals with only short-range order.

PubMed

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.

Long-time predictability in disordered spin systems following a deep quench

NASA Astrophysics Data System (ADS)

Ye, J.; Gheissari, R.; Machta, J.; Newman, C. M.; Stein, D. L.

2017-04-01

We study the problem of predictability, or "nature vs nurture," in several disordered Ising spin systems evolving at zero temperature from a random initial state: How much does the final state depend on the information contained in the initial state, and how much depends on the detailed history of the system? Our numerical studies of the "dynamical order parameter" in Edwards-Anderson Ising spin glasses and random ferromagnets indicate that the influence of the initial state decays as dimension increases. Similarly, this same order parameter for the Sherrington-Kirkpatrick infinite-range spin glass indicates that this information decays as the number of spins increases. Based on these results, we conjecture that the influence of the initial state on the final state decays to zero in finite-dimensional random-bond spin systems as dimension goes to infinity, regardless of the presence of frustration. We also study the rate at which spins "freeze out" to a final state as a function of dimensionality and number of spins; here the results indicate that the number of "active" spins at long times increases with dimension (for short-range systems) or number of spins (for infinite-range systems). We provide theoretical arguments to support these conjectures, and also study analytically several mean-field models: the random energy model, the uniform Curie-Weiss ferromagnet, and the disordered Curie-Weiss ferromagnet. We find that for these models, the information contained in the initial state does not decay in the thermodynamic limit—in fact, it fully determines the final state. Unlike in short-range models, the presence of frustration in mean-field models dramatically alters the dynamical behavior with respect to the issue of predictability.

Long-time predictability in disordered spin systems following a deep quench.

PubMed

Ye, J; Gheissari, R; Machta, J; Newman, C M; Stein, D L

2017-04-01

We study the problem of predictability, or "nature vs nurture," in several disordered Ising spin systems evolving at zero temperature from a random initial state: How much does the final state depend on the information contained in the initial state, and how much depends on the detailed history of the system? Our numerical studies of the "dynamical order parameter" in Edwards-Anderson Ising spin glasses and random ferromagnets indicate that the influence of the initial state decays as dimension increases. Similarly, this same order parameter for the Sherrington-Kirkpatrick infinite-range spin glass indicates that this information decays as the number of spins increases. Based on these results, we conjecture that the influence of the initial state on the final state decays to zero in finite-dimensional random-bond spin systems as dimension goes to infinity, regardless of the presence of frustration. We also study the rate at which spins "freeze out" to a final state as a function of dimensionality and number of spins; here the results indicate that the number of "active" spins at long times increases with dimension (for short-range systems) or number of spins (for infinite-range systems). We provide theoretical arguments to support these conjectures, and also study analytically several mean-field models: the random energy model, the uniform Curie-Weiss ferromagnet, and the disordered Curie-Weiss ferromagnet. We find that for these models, the information contained in the initial state does not decay in the thermodynamic limit-in fact, it fully determines the final state. Unlike in short-range models, the presence of frustration in mean-field models dramatically alters the dynamical behavior with respect to the issue of predictability.

Non-linear dynamical classification of short time series of the rössler system in high noise regimes.

PubMed

Lainscsek, Claudia; Weyhenmeyer, Jonathan; Hernandez, Manuel E; Poizner, Howard; Sejnowski, Terrence J

2013-01-01

Time series analysis with delay differential equations (DDEs) reveals non-linear properties of the underlying dynamical system and can serve as a non-linear time-domain classification tool. Here global DDE models were used to analyze short segments of simulated time series from a known dynamical system, the Rössler system, in high noise regimes. In a companion paper, we apply the DDE model developed here to classify short segments of encephalographic (EEG) data recorded from patients with Parkinson's disease and healthy subjects. Nine simulated subjects in each of two distinct classes were generated by varying the bifurcation parameter b and keeping the other two parameters (a and c) of the Rössler system fixed. All choices of b were in the chaotic parameter range. We diluted the simulated data using white noise ranging from 10 to -30 dB signal-to-noise ratios (SNR). Structure selection was supervised by selecting the number of terms, delays, and order of non-linearity of the model DDE model that best linearly separated the two classes of data. The distances d from the linear dividing hyperplane was then used to assess the classification performance by computing the area A' under the ROC curve. The selected model was tested on untrained data using repeated random sub-sampling validation. DDEs were able to accurately distinguish the two dynamical conditions, and moreover, to quantify the changes in the dynamics. There was a significant correlation between the dynamical bifurcation parameter b of the simulated data and the classification parameter d from our analysis. This correlation still held for new simulated subjects with new dynamical parameters selected from each of the two dynamical regimes. Furthermore, the correlation was robust to added noise, being significant even when the noise was greater than the signal. We conclude that DDE models may be used as a generalizable and reliable classification tool for even small segments of noisy data.

Non-Linear Dynamical Classification of Short Time Series of the Rössler System in High Noise Regimes

PubMed Central

Lainscsek, Claudia; Weyhenmeyer, Jonathan; Hernandez, Manuel E.; Poizner, Howard; Sejnowski, Terrence J.

2013-01-01

Time series analysis with delay differential equations (DDEs) reveals non-linear properties of the underlying dynamical system and can serve as a non-linear time-domain classification tool. Here global DDE models were used to analyze short segments of simulated time series from a known dynamical system, the Rössler system, in high noise regimes. In a companion paper, we apply the DDE model developed here to classify short segments of encephalographic (EEG) data recorded from patients with Parkinson’s disease and healthy subjects. Nine simulated subjects in each of two distinct classes were generated by varying the bifurcation parameter b and keeping the other two parameters (a and c) of the Rössler system fixed. All choices of b were in the chaotic parameter range. We diluted the simulated data using white noise ranging from 10 to −30 dB signal-to-noise ratios (SNR). Structure selection was supervised by selecting the number of terms, delays, and order of non-linearity of the model DDE model that best linearly separated the two classes of data. The distances d from the linear dividing hyperplane was then used to assess the classification performance by computing the area A′ under the ROC curve. The selected model was tested on untrained data using repeated random sub-sampling validation. DDEs were able to accurately distinguish the two dynamical conditions, and moreover, to quantify the changes in the dynamics. There was a significant correlation between the dynamical bifurcation parameter b of the simulated data and the classification parameter d from our analysis. This correlation still held for new simulated subjects with new dynamical parameters selected from each of the two dynamical regimes. Furthermore, the correlation was robust to added noise, being significant even when the noise was greater than the signal. We conclude that DDE models may be used as a generalizable and reliable classification tool for even small segments of noisy data. PMID:24379798

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.

Effects of Short-term Hypergravity Exposure on Germination, Growth and Photosynthesis of Triticum aestivum L.

NASA Astrophysics Data System (ADS)

Vidyasagar, Pandit B.; Jagtap, Sagar S.; Dixit, Jyotsana P.; Kamble, Shailendra M.; Dhepe, Aarti P.

2014-12-01

Numerous studies have been carried out to investigate the hypergravity effect on plants, where seedlings (4-5 days old) were continuously exposed and grown under hypergravity condition. Here, we have used a novel `shortterm hypergravity exposure experimental method' where imbibed caryopses (instead of seedlings) were exposed to higher hypergravity values ranging from 500 g to 2500 g for a short interval time of 10 minutes and post short-term hypergravity treated caryopses were grown under 1 g conditions for five days. Changing patterns in caryopsis germination and growth, along with various photosynthetic and biochemical parameters were studied. Results revealed the significant inhibition of caryopsis germination and growth in short-term hypergravity treated seeds over control. Photosynthesis parameters such as chlorophyll content, rate of photosynthesis (PN), transpiration rate (Evap) and stomatal conductance (Gs), along with intracellular CO2 concentration (Cint) were found to be affected significantly in 5 days old seedlings exposed to short-term hypergravity treatment. In order to investigate the cause of observed inhibition, we examined the α-amylase activity and antioxidative enzyme activities. α-amylase activity was found to be inhibited, along with the reduction of sugars necessary for germination and earlier growth in short-term hypergravity treated caryopses. The activities of antioxidant enzymes such as catalase and guaiacol peroxidase were increased in short-term hypergravity treated caryopses, suggesting that caryopses might have experienced oxidative stress upon short-term hypergravity exposure.

Short and Medium-Range Order in Liquid Ternary Al80Co10Ni10, Al72.5Co14.5Ni13, and Al65Co17.5Ni17.5 Alloys

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.

Self-Organized Dynamic Flocking Behavior from a Simple Deterministic Map

NASA Astrophysics Data System (ADS)

Krueger, Wesley

2007-10-01

Coherent motion exhibiting large-scale order, such as flocking, swarming, and schooling behavior in animals, can arise from simple rules applied to an initial random array of self-driven particles. We present a completely deterministic dynamic map that exhibits emergent, collective, complex motion for a group of particles. Each individual particle is driven with a constant speed in two dimensions adopting the average direction of a fixed set of non-spatially related partners. In addition, the particle changes direction by π as it reaches a circular boundary. The dynamical patterns arising from these rules range from simple circular-type convective motion to highly sophisticated, complex, collective behavior which can be easily interpreted as flocking, schooling, or swarming depending on the chosen parameters. We present the results as a series of short movies and we also explore possible order parameters and correlation functions capable of quantifying the resulting coherence.

The role played by self-orientational properties in nematics of colloids with molecules axially symmetric.

PubMed

Alarcón-Waess, O

2010-04-14

The self-orientational structure factor as well as the short-time self-orientational diffusion coefficient is computed for colloids composed by nonspherical molecules. To compute the short-time dynamics the hydrodynamic interactions are not taken into account. The hard molecules with at least one symmetry axis considered are: rods, spherocylinders, and tetragonal parallelepipeds. Because both orientational properties in study are written in terms of the second and fourth order parameters, these automatically hold the features of the order parameters. That is, they present a discontinuity for first order transitions, determining in this way the spinodal line. In order to analyze the nematic phase only, we choose the appropriate values for the representative quantities that characterize the molecules. Different formalisms are used to compute the structural properties: de Gennes-Landau approach, Smoluchowski equation and computer simulations. Some of the necessary inputs are taken from literature. Our results show that the self-orientational properties play an important role in the characterization and the localization of axially symmetric phases. While the self-structure decreases throughout the nematics, the short-time self-diffusion does not decrease but rather increases. We study the evolution of the second and fourth order parameters; we find different responses for axial and biaxial nematics, predicting the possibility of a biaxial nematics in tetragonal parallelepiped molecules. By considering the second order in the axial-biaxial phase transition, with the support of the self-orientational structure factor, we are able to propose the density at which this occurs. The short-time dynamics is able to predict a different value in the axial and the biaxial phases. Because the different behavior of the fourth order parameter, the diffusion coefficient is lower for a biaxial phase than for an axial one. Therefore the self-structure factor is able to localize continuous phase transitions involving axially symmetric phases and the short-time self-orientational diffusion is able to distinguish the ordered phase by considering the degree of alignment, that is, axial or biaxial.

Orientational ordering of lamellar structures on closed surfaces

NASA Astrophysics Data System (ADS)

PÈ©kalski, J.; Ciach, A.

2018-05-01

Self-assembly of particles with short-range attraction and long-range repulsion interactions on a flat and on a spherical surface is compared. Molecular dynamics simulations are performed for the two systems having the same area and the density optimal for formation of stripes of particles. Structural characteristics, e.g., a cluster size distribution, a number of defects, and an orientational order parameter (OP), as well as the specific heat, are obtained for a range of temperatures. In both cases, the cluster size distribution becomes bimodal and elongated clusters appear at the temperature corresponding to the maximum of the specific heat. When the temperature decreases, orientational ordering of the stripes takes place and the number of particles per cluster or stripe increases in both cases. However, only on the flat surface, the specific heat has another maximum at the temperature corresponding to a rapid change of the OP. On the sphere, the crossover between the isotropic and anisotropic structures occur in a much broader temperature interval; the orientational order is weaker and occurs at significantly lower temperature. At low temperature, the stripes on the sphere form spirals and the defects resemble defects in the nematic phase of rods adsorbed at a sphere.

On the Modeling of the Residual Effects of the Clock Behavior and the Atmosphere Effects in the Analysis of VLBI Data

NASA Astrophysics Data System (ADS)

Bo, Zhang; Li, Jin-Ling; Wang, Guan-Gli

2002-01-01

We checked the dependence of the estimation of parameters on the choice of piecewise interval in the continuous piecewise linear modeling of the residual clock and atmosphere effects by single analysis of 27 VLBI experiments involving Shanghai station (Seshan 25m). The following are tentatively shown: (1) Different choices of the piecewise interval lead to differences in the estimation of station coordinates and in the weighted root mean squares ( wrms ) of the delay residuals, which can be of the order of centimeters or dozens of picoseconds respectively. So the choice of piecewise interval should not be arbitrary . (2) The piecewise interval should not be too long, otherwise the short - term variations in the residual clock and atmospheric effects can not be properly modeled. While in order to maintain enough degrees of freedom in parameter estimation, the interval can not be too short, otherwise the normal equation may become near or solely singular and the noises can not be constrained as well. Therefore the choice of the interval should be within some reasonable range. (3) Since the conditions of clock and atmosphere are different from experiment to experiment and from station to station, the reasonable range of the piecewise interval should be tested and chosen separately for each experiment as well as for each station by real data analysis. This is really arduous work in routine data analysis. (4) Generally speaking, with the default interval for clock as 60min, the reasonable range of piecewise interval for residual atmospheric effect modeling is between 10min to 40min, while with the default interval for atmosphere as 20min, that for residual clock behavior is between 20min to 100min.

A Non-Local, Energy-Optimized Kernel: Recovering Second-Order Exchange and Beyond in Extended Systems

NASA Astrophysics Data System (ADS)

Bates, Jefferson; Laricchia, Savio; Ruzsinszky, Adrienn

The Random Phase Approximation (RPA) is quickly becoming a standard method beyond semi-local Density Functional Theory that naturally incorporates weak interactions and eliminates self-interaction error. RPA is not perfect, however, and suffers from self-correlation error as well as an incorrect description of short-ranged correlation typically leading to underbinding. To improve upon RPA we introduce a short-ranged, exchange-like kernel that is one-electron self-correlation free for one and two electron systems in the high-density limit. By tuning the one free parameter in our model to recover an exact limit of the homogeneous electron gas correlation energy we obtain a non-local, energy-optimized kernel that reduces the errors of RPA for both homogeneous and inhomogeneous solids. To reduce the computational cost of the standard kernel-corrected RPA, we also implement RPA renormalized perturbation theory for extended systems, and demonstrate its capability to describe the dominant correlation effects with a low-order expansion in both metallic and non-metallic systems. Furthermore we stress that for norm-conserving implementations the accuracy of RPA and beyond RPA structural properties compared to experiment is inherently limited by the choice of pseudopotential. Current affiliation: King's College London.

Magnetic specific heat and structural phase transitions in (CH3)4NMnCl3 (TMMC) and TMMC:Cu2+ studied by crystal optics

NASA Astrophysics Data System (ADS)

Levola, T.; Kleemann, W.

1985-10-01

High-resolution refractive index (RI) and linear birefringence (LB) measurements are performed on the one-dimensional antiferromagnet tetramethyl ammonium manganese trichloride (TMMC) in order to reveal the temperature dependence of the magnetic short-range order. In agreement with values obtained by other methods an exchange constant J/kB=-7.3 K is reliably extracted. Anomalies of the in-plane LB and of the ordinary RI at the hexagonal-to-monoclinic structural phase transition (Tc=126 K) are successfully described with the use of linear elasto-optic response theory and the Landau approximation, which accounts for symmetry-adapted coupling between the components of the order parameter and of the spontaneous strain. Cu2+ ions, substituting Mn2+ ions of TMMC at a rate exceeding x=1.5%, are shown to stabilize an intermediate, possibly incommensurate phase. Its stability range is marked by very drastic decreases &=145 K and &=55 K for x=4.5%, respectively.

Experimental Results of the EU ITER Prototype Gyrotrons

NASA Astrophysics Data System (ADS)

Gantenbein, G.; Albajar, F.; Alberti, S.; Avramidis, K.; Bin, W.; Bonicelli, T.; Bruschi, A.; Chelis, J.; Fanale, F.; Legrand, F.; Hermann, V.; Hogge, J.-P.; Illy, S.; Ioannidis, Z. C.; Jin, J.; Jelonnek, J.; Kasparek, W.; Latsas, G. P.; Lechte, C.; Lontano, M.; Pagonakis, I. G.; Rzesnicki, T.; Schlatter, C.; Schmid, M.; Tigelis, I. G.; Thumm, M.; Tran, M. Q.; Vomvoridis, J. L.; Zein, A.; Zisis, A.

2017-10-01

The European 1 MW, 170 GHz CW industrial prototype gyrotron for ECRH&CD on ITER was under test at the KIT test facility during 2016. In order to optimize the gyrotron operation, the tube was thoroughly tested in the short-pulse regime, with pulse lengths below 10 ms, for a wide range of operational parameters. The operation was extended to longer pulses with a duration of up to 180 s. In this work we present in detail the achievements and the challenges that were faced during the long-pulse experimental campaign.

Nonequilibrium Phase Transition in a Model for Social Influence

NASA Astrophysics Data System (ADS)

Castellano, Claudio; Marsili, Matteo; Vespignani, Alessandro

2000-10-01

We present extensive numerical simulations of the Axelrod's model for social influence, aimed at understanding the formation of cultural domains. This is a nonequilibrium model with short range interactions and a remarkably rich dynamical behavior. We study the phase diagram of the model and uncover a nonequilibrium phase transition separating an ordered (culturally polarized) phase from a disordered (culturally fragmented) one. The nature of the phase transition can be continuous or discontinuous depending on the model parameters. At the transition, the size of cultural regions is power-law distributed.

Interpretation of electron diffraction patterns from amorphous and fullerene-like carbon allotropes.

PubMed

Czigány, Zsolt; Hultman, Lars

2010-06-01

The short range order in amorphous and fullerene-like carbon compounds has been characterized by selected area electron diffraction (SAED) patterns and compared with simulations of model nanoclusters. Broad rings in SAED pattern from fullerene-like CN(x) at approximately 1.2, approximately 2, and approximately 3.5A indicate short-range order similar to that in graphite, but peak shifts indicate sheet curvature in agreement with high-resolution transmission electron microscopy images. Fullerene-like CP(x) exhibits rings at approximately 1.6 and 2.6A, which can be explained if it consists of fragments with short-range order and high curvature similar to that of C(20). Copyright 2010 Elsevier B.V. All rights reserved.

Structural correlation of the chalcogenide Ge40Se60 glass

NASA Astrophysics Data System (ADS)

Moharram, A. H.

2017-01-01

Binary Ge40Se60 glass was prepared using the melt-quench technique. The total structure factors, S( K), are obtained using the X-ray diffraction in the wave vector interval 0.28 ≤ K ≤ 6.5 Å-1. The appearance of the first sharp diffraction peak (FSDP) in the structure factor indicates the presence of the intermediate range order. Radial distribution functions, RDF( r), have been obtained using either the conventional (Fourier) transformation or the Monte Carlo simulation of the experimental X-ray data. The short range order parameters deduced from the Monte Carlo total correlation, T( r), functions are better than those obtained from the conventional (Fourier) T( r) data. Gaussian analyses of the total correlation function show that Ge2(Se1/2)6 molecular units are the basic structural units for the investigated Ge40Se60 glass.

Structural characteristics and properties of the regenerated silk fibroin prepared from formic acid.

PubMed

Um, I C; Kweon, H Y; Park, Y H; Hudson, S

2001-08-20

Structural characteristics and thermal and solution properties of the regenerated silk fibroin (SF) prepared from formic acid (FU) were compared with those of SF from water (AU). According to the turbidity and shear viscosity measurement, SF formic acid solution was stable and transparent, no molecular aggregations occurred. The sample FU exhibited the beta-sheet structure, while AU random coil conformation using Fourier transform infrared (FTIR), X-ray diffraction (XRD), and differential scanning calorimetry. The effects of methanol treatment on samples were also examined. According to the measurement of crystallinity (XRD) and crystallinity index (FTIR), the concept of long/short-range ordered structure formation was proposed. Long-range ordered crystallites are predominantly formed for methanol treated SF film while SF film cast from formic acid favors the formation of short-range ordered structure. The relaxation temperatures of SF films measured by dynamic thermomechanical analysis supported the above mechanism due to the sensitivity of relaxation temperature on the short-range order.

Power Aware Management Middleware for Multiple Radio Interfaces

NASA Astrophysics Data System (ADS)

Friedman, Roy; Kogan, Alex

Modern mobile phones and laptops are equipped with multiple wireless communication interfaces, such as WiFi and Bluetooth (BT), enabling the creation of ad-hoc networks. These interfaces significantly differ from one another in their power requirements, transmission range, bandwidth, etc. For example, BT is an order of magnitude more power efficient than WiFi, but its transmission range is an order of magnitude shorter. This paper introduces a management middleware that establishes a power efficient overlay for such ad-hoc networks, in which most devices can shut down their long range power hungry wireless interface (e.g., WiFi). Yet, the resulting overlay is fully connected, and for capacity and latency needs, no message ever travels more than 2k short range (e.g., BT) hops, where k is an arbitrary parameter. The paper describes the architecture of the solution and the management protocol, as well as a detailed simulations based performance study. The simulations largely validate the ability of the management infrastructure to obtain considerable power savings while keeping the network connected and maintaining reasonable latency. The performance study covers both static and mobile networks.

Possibility of adjusting the photoluminescence spectrum of Ca scheelites to the emission spectrum of incandescent lamps: [ nCaWO4-(1- n)CaMoO4]: Eu3+ solid solutions

NASA Astrophysics Data System (ADS)

Bakovets, V. V.; Zolotova, E. S.; Antonova, O. V.; Korol'kov, I. V.; Yushina, I. V.

2016-12-01

The specific features of the photoluminescence of [ nCaWO4-(1- n)CaMoO4]:Eu3+ solid solutions with the scheelite structure are examined using X-ray phase analysis and photoluminescence, Raman scattering, and diffuse reflectance spectroscopy. The studied features are associated with a change in the long- and short-range orders of the crystal lattice upon variations in the composition of solutions in the range n = 0-1.0 (with a pitch of 0.2) at a concentration of red photoluminescence activator Eu3+ of 2 mol %. The mechanism of the modification of photoluminescence of solid solutions upon variations in their composition has been discussed. Anomalies in the variations in parameters of the crystal lattice, its short-range order, and luminescence spectra have been observed in the transition from pure compounds CaMoO4:Eu3+ and CaWO4:Eu3+ to solutions; the concentration of Eu3+ ions in the centrosymmetric localization increases (decreases) in the transition from the molybdate (tungstate). It has been demonstrated that the spectral radiant emittance of solid solution [0.4CaWO4-0.6CaMoO4]:Eu3+ (2 mol %) is the closest to that of an incandescent lamp.

Low density mesostructures of confined dipolar particles in an external field

NASA Astrophysics Data System (ADS)

Richardi, J.; Weis, J.-J.

2011-09-01

Mesostructures formed by dipolar particles confined between two parallel walls and subjected to an external field are studied by Monte Carlo simulations. The main focus of the work is the structural behavior of the Stockmayer fluid in the low density regime. The dependence of cluster thickness and ordering is estimated as a function of density and wall separation, the two most influential parameters, for large dipole moments and high field strengths. The great sensitivity of the structure to details of the short-range part of the interactions is pointed out. In particular, the attractive part of the Lennard-Jones potential is shown to play a major role in driving chain aggregation. The effect of confinement, evaluated by comparison with results for a bulk system, is most pronounced for a short range hard sphere potential. No evidence is found for a novel "gel-like" phase recently uncovered in low density dipolar colloidal suspensions [A. K. Agarwal and A. Yethiraj, Phys. Rev. Lett. 102, 198301 (2009), 10.1103/PhysRevLett.102.198301].

Doping Evolution of Magnetic Order and Magnetic Excitations in (Sr1 -xLax)3Ir2O7

NASA Astrophysics Data System (ADS)

Lu, Xingye; McNally, D. E.; Moretti Sala, M.; Terzic, J.; Upton, M. H.; Casa, D.; Ingold, G.; Cao, G.; Schmitt, T.

2017-01-01

We use resonant elastic and inelastic x-ray scattering at the Ir-L3 edge to study the doping-dependent magnetic order, magnetic excitations, and spin-orbit excitons in the electron-doped bilayer iridate (Sr1 -xLax )3Ir2 O7 (0 ≤x ≤0.065 ). With increasing doping x , the three-dimensional long range antiferromagnetic order is gradually suppressed and evolves into a three-dimensional short range order across the insulator-to-metal transition from x =0 to 0.05, followed by a transition to two-dimensional short range order between x =0.05 and 0.065. Because of the interactions between the Jeff=1/2 pseudospins and the emergent itinerant electrons, magnetic excitations undergo damping, anisotropic softening, and gap collapse, accompanied by weakly doping-dependent spin-orbit excitons. Therefore, we conclude that electron doping suppresses the magnetic anisotropy and interlayer couplings and drives (Sr1 -xLax )3Ir2 O7 into a correlated metallic state with two-dimensional short range antiferromagnetic order. Strong antiferromagnetic fluctuations of the Jeff=1/2 moments persist deep in this correlated metallic state, with the magnon gap strongly suppressed.

Free energy of singular sticky-sphere clusters.

PubMed

Kallus, Yoav; Holmes-Cerfon, Miranda

2017-02-01

Networks of particles connected by springs model many condensed-matter systems, from colloids interacting with a short-range potential and complex fluids near jamming, to self-assembled lattices and various metamaterials. Under small thermal fluctuations the vibrational entropy of a ground state is given by the harmonic approximation if it has no zero-frequency vibrational modes, yet such singular modes are at the epicenter of many interesting behaviors in the systems above. We consider a system of N spherical particles, and directly account for the singularities that arise in the sticky limit where the pairwise interaction is strong and short ranged. Although the contribution to the partition function from singular clusters diverges in the limit, its asymptotic value can be calculated and depends on only two parameters, characterizing the depth and range of the potential. The result holds for systems that are second-order rigid, a geometric characterization that describes all known ground-state (rigid) sticky clusters. To illustrate the applications of our theory we address the question of emergence: how does crystalline order arise in large systems when it is strongly disfavored in small ones? We calculate the partition functions of all known rigid clusters up to N≤21 and show the cluster landscape is dominated by hyperstatic clusters (those with more than 3N-6 contacts); singular and isostatic clusters are far less frequent, despite their extra vibrational and configurational entropies. Since the most hyperstatic clusters are close to fragments of a close-packed lattice, this underlies the emergence of order in sticky-sphere systems, even those as small as N=10.

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.

Free energy of singular sticky-sphere clusters

NASA Astrophysics Data System (ADS)

Kallus, Yoav; Holmes-Cerfon, Miranda

2017-02-01

Networks of particles connected by springs model many condensed-matter systems, from colloids interacting with a short-range potential and complex fluids near jamming, to self-assembled lattices and various metamaterials. Under small thermal fluctuations the vibrational entropy of a ground state is given by the harmonic approximation if it has no zero-frequency vibrational modes, yet such singular modes are at the epicenter of many interesting behaviors in the systems above. We consider a system of N spherical particles, and directly account for the singularities that arise in the sticky limit where the pairwise interaction is strong and short ranged. Although the contribution to the partition function from singular clusters diverges in the limit, its asymptotic value can be calculated and depends on only two parameters, characterizing the depth and range of the potential. The result holds for systems that are second-order rigid, a geometric characterization that describes all known ground-state (rigid) sticky clusters. To illustrate the applications of our theory we address the question of emergence: how does crystalline order arise in large systems when it is strongly disfavored in small ones? We calculate the partition functions of all known rigid clusters up to N ≤21 and show the cluster landscape is dominated by hyperstatic clusters (those with more than 3 N -6 contacts); singular and isostatic clusters are far less frequent, despite their extra vibrational and configurational entropies. Since the most hyperstatic clusters are close to fragments of a close-packed lattice, this underlies the emergence of order in sticky-sphere systems, even those as small as N =10 .

First principles statistical mechanics of alloys and magnetism

NASA Astrophysics Data System (ADS)

Eisenbach, Markus; Khan, Suffian N.; Li, Ying Wai

Modern high performance computing resources are enabling the exploration of the statistical physics of phase spaces with increasing size and higher fidelity of the Hamiltonian of the systems. For selected systems, this now allows the combination of Density Functional based first principles calculations with classical Monte Carlo methods for parameter free, predictive thermodynamics of materials. We combine our locally selfconsistent real space multiple scattering method for solving the Kohn-Sham equation with Wang-Landau Monte-Carlo calculations (WL-LSMS). In the past we have applied this method to the calculation of Curie temperatures in magnetic materials. Here we will present direct calculations of the chemical order - disorder transitions in alloys. We present our calculated transition temperature for the chemical ordering in CuZn and the temperature dependence of the short-range order parameter and specific heat. Finally we will present the extension of the WL-LSMS method to magnetic alloys, thus allowing the investigation of the interplay of magnetism, structure and chemical order in ferrous alloys. This research was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division and it used Oak Ridge Leadership Computing Facility resources at Oak Ridge National Laboratory.

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.

Overview and Evaluation of Bluetooth Low Energy: An Emerging Low-Power Wireless Technology

PubMed Central

Gomez, Carles; Oller, Joaquim; Paradells, Josep

2012-01-01

Bluetooth Low Energy (BLE) is an emerging low-power wireless technology developed for short-range control and monitoring applications that is expected to be incorporated into billions of devices in the next few years. This paper describes the main features of BLE, explores its potential applications, and investigates the impact of various critical parameters on its performance. BLE represents a trade-off between energy consumption, latency, piconet size, and throughput that mainly depends on parameters such as connInterval and connSlaveLatency. According to theoretical results, the lifetime of a BLE device powered by a coin cell battery ranges between 2.0 days and 14.1 years. The number of simultaneous slaves per master ranges between 2 and 5,917. The minimum latency for a master to obtain a sensor reading is 676 μs, although simulation results show that, under high bit error rate, average latency increases by up to three orders of magnitude. The paper provides experimental results that complement the theoretical and simulation findings, and indicates implementation constraints that may reduce BLE performance.

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Influence of noise and spread of resonance frequencies on phase locking of optically coupled lasers

NASA Astrophysics Data System (ADS)

Bel'dyugin, Igor'M.; Zolotarev, M. V.; Shinkareva, I. V.

1991-12-01

A statistical analysis was made of the simultaneous influence of an external noise and of the spread of resonance frequencies on the phase locking of optically coupled lasers under conditions of long-range and short-range interaction in terms of the theory of critical phenomena. Studies were made of the behavior of an order parameter (the total amplitude of the fields of an array of lasers), and of the stability and correlation relationships between lasers for cophasal and antiphase lasing regimes. It was found that the locking band of the lasers could be increased substantially by detuning the phase-locking frequency from the center of the active medium profile.

A brief note on the magnecule order parameter upgrade hypothesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmidt, Nathan O.

2015-03-10

In this short remark, we report on recent hypothetical work that aims to equip Santilli’s magnecule model with topological deformation order parameters (OP) of fractional statistics to define a preliminary set of wavepacket wavefunctions for the electron toroidal polarizations. The primary objective is to increase the representational precision and predictive accuracy of the magnecule model by exemplifying the fluidic characteristics for direct industrial application. In particular, the OPs are deployed to encode the spontaneous superfluidic gauge symmetry breaking (which may be restored at the iso-topic level) and correlated with Leggett’s superfluid B phases to establish a long range constraint formore » the wavefunctions. These new, developing, theoretical results may be significant because the OP configuration arms us with an extra degree of freedom for encoding a magnecule’s states and transitions, which may reveal further insight into the underlying physical mechanisms and features associated with these state-of-the-art magnecular bonds.« less

Magnetic structure in Mn1 -xCoxGe compounds

NASA Astrophysics Data System (ADS)

Altynbaev, E.; Siegfried, S.-A.; Strauß, P.; Menzel, D.; Heinemann, A.; Fomicheva, L.; Tsvyashchenko, A.; Grigoriev, S.

2018-04-01

The magnetic system of the pseudobinary compound Mn1 -xCoxGe has been studied using small-angle neutron scattering and susceptibility measurements. It is found that Mn1 -xCoxGe orders magnetically at low temperatures in the whole concentration range of x ∈[0 /0.9 ] . Four different states of the magnetic structure have been found at low temperatures: the long-range-ordered (LRO) short-period helical magnetic structure at x

Theory of High-T{sub c} Superconducting Cuprates Based on Experimental Evidence

DOE R&D Accomplishments Database

Abrikosov, A. A.

1999-12-10

A model of superconductivity in layered high-temperature superconducting cuprates is proposed, based on the extended saddle point singularities in the electron spectrum, weak screening of the Coulomb interaction and phonon-mediated interaction between electrons plus a small short-range repulsion of Hund's, or spin-fluctuation, origin. This permits to explain the large values of T{sub c}, features of the isotope effect on oxygen and copper, the existence of two types of the order parameter, the peak in the inelastic neutron scattering, the positive curvature of the upper critical field, as function of temperature etc.

Field dependence of the magnetic correlations of the frustrated magnet SrDy 2 O 4

DOE PAGES

Gauthier, N.; Fennell, A.; Prévost, B.; ...

2017-05-30

Tmore » he frustrated magnet SrDy 2 O 4 exhibits a field-induced phase with a magnetization plateau at 1 / 3 of the saturation value for magnetic fields applied along the b axis. We report here a neutron scattering study of the nature and symmetry of the magnetic order in this field-induced phase. Below ≈ 0.5 K, there are strong hysteretic effects, and the order is short- or long-ranged for zero-field and field cooling, respectively. We find that the long-range ordered magnetic structure within the zigzag chains is identical to that expected for the one-dimensional axial next-nearest neighbor Ising (ANNNI) model in longitudinal fields. he long-range ordered structure in field contrasts with the short-range order found at zero field, and is most likely reached through enhanced quantum fluctuations with increasing fields.« less

Field dependence of the magnetic correlations of the frustrated magnet SrDy2O4

NASA Astrophysics Data System (ADS)

Gauthier, N.; Fennell, A.; Prévost, B.; Désilets-Benoit, A.; Dabkowska, H. A.; Zaharko, O.; Frontzek, M.; Sibille, R.; Bianchi, A. D.; Kenzelmann, M.

2017-05-01

The frustrated magnet SrDy2O4 exhibits a field-induced phase with a magnetization plateau at 1 /3 of the saturation value for magnetic fields applied along the b axis. We report here a neutron scattering study of the nature and symmetry of the magnetic order in this field-induced phase. Below T ≈0.5 K, there are strong hysteretic effects, and the order is short- or long-ranged for zero-field and field cooling, respectively. We find that the long-range ordered magnetic structure within the zigzag chains is identical to that expected for the one-dimensional axial next-nearest neighbor Ising (ANNNI) model in longitudinal fields. The long-range ordered structure in field contrasts with the short-range order found at zero field, and is probably reached through enhanced quantum fluctuations with increasing fields.

Smectic order induced at homeotropically aligned nematic surfaces: A neutron reflection study

NASA Astrophysics Data System (ADS)

Lau, Y. G. J.; Richardson, Robert M.; Cubitt, R.

2006-06-01

Neutron reflection was used to measure the buildup of layers at a solid surface as the smectic phase is approached from higher temperatures in a nematic liquid crystal. The liquid crystal was 4-octyl-4'-cyanobiphenyl (8CB), and the solid was silicon with one of five different surface treatments that induce homeotropic alignment: (i) silicon oxide; (ii) a cetyltrimethylammonium bromide coating; (iii) an octadecyltrichlorosilane monolayer; (iv) an n-n-dimethyl-n-octadecyl-3- aminopropyltrimethyloxysilyl chloride monolayer; and (v) a lecithin coating. The development of surface smectic layers in the nematic phase of 8CB was followed by measuring specular reflectivity and monitoring the pseudo-Bragg peak from the layers. The scattering data were processed to remove the scattering from short-ranged smecticlike fluctuations in the bulk nematic phase from the specular reflection. The pseudo-Bragg peak at scattering vector Q ˜0.2Å-1 therefore corresponded to the formation of long-range smectic layers at the surface. The amplitude of the smectic density wave decayed with increasing distance from the surface, and the characteristic thickness of this smectic region diverged as the transition temperature was approached. It was found that the characteristic thickness for some of the surface treatments was greater than the correlation length in the bulk nematic. The different surfaces gave different values of the smectic order parameter at the surface. This suggests that the interaction with the surface is significantly different from a "hard wall" which would give the same values of the smectic order parameter and penetration depths similar to the bulk correlation length. Comparison of the different surfaces also suggested that the strength and range of the surface smectic ordering may be varied independently.

Large Deviations in Weakly Interacting Boundary Driven Lattice Gases

NASA Astrophysics Data System (ADS)

van Wijland, Frédéric; Rácz, Zoltán

2005-01-01

One-dimensional, boundary-driven lattice gases with local interactions are studied in the weakly interacting limit. The density profiles and the correlation functions are calculated to first order in the interaction strength for zero-range and short-range processes differing only in the specifics of the detailed-balance dynamics. Furthermore, the effective free-energy (large-deviation function) and the integrated current distribution are also found to this order. From the former, we find that the boundary drive generates long-range correlations only for the short-range dynamics while the latter provides support to an additivity principle recently proposed by Bodineau and Derrida.

The influence of magnetic order on the magnetoresistance anisotropy of Fe1 + δ-x Cu x Te

NASA Astrophysics Data System (ADS)

Helm, T.; Valdivia, P. N.; Bourret-Courchesne, E.; Analytis, J. G.; Birgeneau, R. J.

2017-07-01

We performed resistance measurements on \\text{F}{{\\text{e}}1+δ -x} Cu x Te with {{x}\\text{EDX}}≤slant 0.06 in the presence of in-plane applied magnetic fields, revealing a resistance anisotropy that can be induced at a temperature far below the structural and magnetic zero-field transition temperatures. The observed resistance anisotropy strongly depends on the field orientation with respect to the crystallographic axes, as well as on the field-cooling history. Our results imply a correlation between the observed features and the low-temperature magnetic order. Hysteresis in the angle-dependence indicates a strong pinning of the magnetic order within a temperature range that varies with the Cu content. The resistance anisotropy vanishes at different temperatures depending on whether an external magnetic field or a remnant field is present: the closing temperature is higher in the presence of an external field. For {{x}\\text{EDX}}=0.06 the resistance anisotropy closes above the structural transition, at the same temperature at which the zero-field short-range magnetic order disappears and the sample becomes paramagnetic. Thus we suggest that under an external magnetic field the resistance anisotropy mirrors the magnetic order parameter. We discuss similarities to nematic order observed in other iron pnictide materials.

The influence of magnetic order on the magnetoresistance anisotropy of Fe 1+δ–xCu xTe

DOE PAGES

Helm, T.; Valdivia, P. N.; Bourret-Courchesne, E.; ...

2017-06-08

We performed resistance measurements on [Formula: see text]Cu x Te with [Formula: see text] in the presence of in-plane applied magnetic fields, revealing a resistance anisotropy that can be induced at a temperature far below the structural and magnetic zero-field transition temperatures. The observed resistance anisotropy strongly depends on the field orientation with respect to the crystallographic axes, as well as on the field-cooling history. Our results imply a correlation between the observed features and the low-temperature magnetic order. Hysteresis in the angle-dependence indicates a strong pinning of the magnetic order within a temperature range that varies with the Cumore » content. The resistance anisotropy vanishes at different temperatures depending on whether an external magnetic field or a remnant field is present: the closing temperature is higher in the presence of an external field. For [Formula: see text] the resistance anisotropy closes above the structural transition, at the same temperature at which the zero-field short-range magnetic order disappears and the sample becomes paramagnetic. Thus we suggest that under an external magnetic field the resistance anisotropy mirrors the magnetic order parameter. We discuss similarities to nematic order observed in other iron pnictide materials.« less

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

Josephson-like spin current in junctions composed of antiferromagnets and ferromagnets

NASA Astrophysics Data System (ADS)

Moor, A.; Volkov, A. F.; Efetov, K. B.

2012-01-01

We study Josephson-like junctions formed by materials with antiferromagnetic (AF) order parameters. As an antiferromagnet, we consider a two-band material in which a spin density wave (SDW) arises. This could be Fe-based pnictides in the temperature interval Tc≤T≤TN, where Tc and TN are the critical temperatures for the superconducting and antiferromagnetic transitions, respectively. The spin current jSp in AF/F/AF junctions with a ballistic ferromagnetic layer and in tunnel AF/I/AF junctions is calculated. It depends on the angle between the magnetization vectors in the AF leads in the same way as the Josephson current depends on the phase difference of the superconducting order parameters in S/I/S tunnel junctions. It turns out that in AF/F/AF junctions, two components of the SDW order parameter are induced in the F layer. One of them oscillates in space with a short period ξF,b˜ℏv/H, while the other decays monotonously from the interfaces over a long distance of the order ξN,b=ℏv/2πT (where v, H, and T are the Fermi velocity, the exchange energy, and the temperature, respectively; the subindex “b” denotes the ballistic case). This is a clear analogy with the case of Josephson S/F/S junctions with a nonhomogeneous magnetization where short- and long-range condensate components are induced in the F layer. However, in contrast to the charge Josephson current in S/F/S junctions, the spin current in AF/F/AF junctions is not constant in space, but oscillates in the ballistic F layer. We also calculate the dependence of jSp on the deviation from the ideal nesting in the AF/I/AF junctions. The spin current is maximal in the insulating phase of the AF and decreases in the metallic phase. It turns to zero at the Neel point when the amplitude of the SDW is zero and changes sign for certain values of the detuning parameter.

High-temperature site preference and atomic short-range ordering characteristics of ternary alloying elements in γ'-Ni3Al intermetallics

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.

Scaling of transient storage parameter estimates with increasing reach length in a mountain headwater stream

Treesearch

M. Briggs; M. N. Gooseff; B. McGlynn

2006-01-01

We performed two conservative tracer injections in a mountain stream in order to access the relationship between storage parameters on the short subreach scale to the longer reach which they comprise.

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

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

An algebraic method for constructing stable and consistent autoregressive filters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harlim, John, E-mail: jharlim@psu.edu; Department of Meteorology, the Pennsylvania State University, University Park, PA 16802; Hong, Hoon, E-mail: hong@ncsu.edu

2015-02-15

In this paper, we introduce an algebraic method to construct stable and consistent univariate autoregressive (AR) models of low order for filtering and predicting nonlinear turbulent signals with memory depth. By stable, we refer to the classical stability condition for the AR model. By consistent, we refer to the classical consistency constraints of Adams–Bashforth methods of order-two. One attractive feature of this algebraic method is that the model parameters can be obtained without directly knowing any training data set as opposed to many standard, regression-based parameterization methods. It takes only long-time average statistics as inputs. The proposed method provides amore » discretization time step interval which guarantees the existence of stable and consistent AR model and simultaneously produces the parameters for the AR models. In our numerical examples with two chaotic time series with different characteristics of decaying time scales, we find that the proposed AR models produce significantly more accurate short-term predictive skill and comparable filtering skill relative to the linear regression-based AR models. These encouraging results are robust across wide ranges of discretization times, observation times, and observation noise variances. Finally, we also find that the proposed model produces an improved short-time prediction relative to the linear regression-based AR-models in forecasting a data set that characterizes the variability of the Madden–Julian Oscillation, a dominant tropical atmospheric wave pattern.« less

The effect of seasonal birth pulses on pathogen persistence in wild mammal populations.

PubMed

Peel, A J; Pulliam, J R C; Luis, A D; Plowright, R K; O'Shea, T J; Hayman, D T S; Wood, J L N; Webb, C T; Restif, O

2014-07-07

The notion of a critical community size (CCS), or population size that is likely to result in long-term persistence of a communicable disease, has been developed based on the empirical observations of acute immunizing infections in human populations, and extended for use in wildlife populations. Seasonal birth pulses are frequently observed in wildlife and are expected to impact infection dynamics, yet their effect on pathogen persistence and CCS have not been considered. To investigate this issue theoretically, we use stochastic epidemiological models to ask how host life-history traits and infection parameters interact to determine pathogen persistence within a closed population. We fit seasonal birth pulse models to data from diverse mammalian species in order to identify realistic parameter ranges. When varying the synchrony of the birth pulse with all other parameters being constant, our model predicted that the CCS can vary by more than two orders of magnitude. Tighter birth pulses tended to drive pathogen extinction by creating large amplitude oscillations in prevalence, especially with high demographic turnover and short infectious periods. Parameters affecting the relative timing of the epidemic and birth pulse peaks determined the intensity and direction of the effect of pre-existing immunity in the population on the pathogen's ability to persist beyond the initial epidemic following its introduction.

The effect of seasonal birth pulses on pathogen persistence in wild mammal populations

PubMed Central

Peel, A. J.; Pulliam, J. R. C.; Luis, A. D.; Plowright, R. K.; O'Shea, T. J.; Hayman, D. T. S.; Wood, J. L. N.; Webb, C. T.; Restif, O.

2014-01-01

The notion of a critical community size (CCS), or population size that is likely to result in long-term persistence of a communicable disease, has been developed based on the empirical observations of acute immunizing infections in human populations, and extended for use in wildlife populations. Seasonal birth pulses are frequently observed in wildlife and are expected to impact infection dynamics, yet their effect on pathogen persistence and CCS have not been considered. To investigate this issue theoretically, we use stochastic epidemiological models to ask how host life-history traits and infection parameters interact to determine pathogen persistence within a closed population. We fit seasonal birth pulse models to data from diverse mammalian species in order to identify realistic parameter ranges. When varying the synchrony of the birth pulse with all other parameters being constant, our model predicted that the CCS can vary by more than two orders of magnitude. Tighter birth pulses tended to drive pathogen extinction by creating large amplitude oscillations in prevalence, especially with high demographic turnover and short infectious periods. Parameters affecting the relative timing of the epidemic and birth pulse peaks determined the intensity and direction of the effect of pre-existing immunity in the population on the pathogen's ability to persist beyond the initial epidemic following its introduction. PMID:24827436

Theoretical study of high-order harmonic generation from the hydrogen molecular ion with a dichromatic spatially inhomogeneous field

NASA Astrophysics Data System (ADS)

Xu, Xiao-Hu; Wang, Yan-Jun; Miao, Xiang-Yang

2018-05-01

We theoretically investigate the enhancement of high-order harmonic generation by numerically solving the non-Born-Oppenheimer time-dependent Schrödinger equation from the hydrogen molecular ion in a dichromatic inhomogeneous laser field. An ultrabroad supercontinuum up to 300 orders spectral width is generated. It is found that not only the inhomogeneity, but also the dichromatic field contributes to the significant extension of the harmonic cutoff compared with a monochromatic inhomogeneous laser field. Meanwhile, the long quantum paths can be suppressed and short ones can be enhanced by selecting optimized inhomogeneous parameter β, intensity and carrier envelope phase of the dichromatic inhomogeneous laser field. Furthermore, by superposing a properly selected range of the harmonic spectrum in the continuum region, an isolated 29-as pulse is generated. Both the classical theory and quantum time-frequency analysis are adopted to explain the physical mechanism.

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.

Conformation transitions of a single polyelectrolyte chain in a poor solvent: a replica-exchange lattice Monte-Carlo study.

PubMed

Wang, Lang; Wang, Zheng; Jiang, Run; Yin, Yuhua; Li, Baohui

2017-03-15

The thermodynamic behaviors of a strongly charged polyelectrolyte chain in a poor solvent are studied using replica-exchange Monte-Carlo simulations on a lattice model, focusing on the effects of finite chain length and the solvent quality on the chain conformation and conformation transitions. The neutralizing counterions and solvent molecules are considered explicitly. The thermodynamic quantities that vary continuously with temperature over a wide range are computed using the multiple histogram reweighting method. Our results suggest that the strength of the short-range hydrophobic interaction, the chain length, and the temperature of the system, characterized by ε, N, and T, respectively, are important parameters that control the conformations of a charged chain. When ε is moderate, the competition between the electrostatic energy and the short-range hydrophobic interaction leads to rich conformations and conformation transitions for a longer chain with a fixed length. Our results have unambiguously demonstrated the stability of the n-pearl-necklace structures, where n has a maximum value and decreases with decreasing temperature. The maximum n value increases with increasing chain length. Our results have also demonstrated the first-order nature of the conformation transitions between the m-pearl and the (m-1)-pearl necklaces. With the increase of ε, the transition temperature increases and the first-order feature becomes more pronounced. It is deduced that at the thermodynamic limit of infinitely long chain length, the conformational transitions between the m-pearl and the (m-1)-pearl necklaces may remain first order when ε > 0 and m = 2 or 3. Pearl-necklace conformations cannot be observed when either ε is too large or N is too small. To observe a pearl-necklace conformation, the T value needs to be carefully chosen for simulations performed at only a single temperature.

Effect of film multi-scale structure on the water vapor permeability in hydroxypropyl starch (HPS)/Na-MMT nanocomposites.

PubMed

Liu, Siyuan; Cai, Panfu; Li, Xiaoxi; Chen, Ling; Li, Lin; Li, Bing

2016-12-10

To improve the water vapor resistance of starch-based films, Na-MMT (Na-montmorillonite) as nanofillers were fabricated into hydroxypropyl starch and the multi-scale structural changes (including intermolecular interaction, short-range conformation, long-range ordered structure and the aggregated structure of the film) were revealed. The elongation of the water vapor molecule pathway by tortuous path is generally recognized as the main reason for the improvement of water resistance. However this study observed the lowest water vapor permeability (WVP) was at the 3% Na-MMT/hydroxypropyl starch (HPS) ratio instead of 5% even nanofillers were partially exfoliated at both ratio. Except for the "tortuous path" caused by nanofillers, this observation proposed that the short-range conformation of HPS chains, long-range ordered structure and the aggregated structure likely influenced the water barrier property. The relationship between WVP and multi-scale structure of the film was investigated. The results suggested that a good balance of short-range conformationin the amorphous region, long-range ordered structure and the aggregated structure of the film was required for the improvement of water vapor barrier property. Copyright © 2016 Elsevier Ltd. All rights reserved.

High-dynamic-range cross-correlator for shot-to-shot measurement of temporal contrast

NASA Astrophysics Data System (ADS)

Kon, Akira; Nishiuchi, Mamiko; Kiriyama, Hiromitsu; Ogura, Koichi; Mori, Michiaki; Sakaki, Hironao; Kando, Masaki; Kondo, Kiminori

2017-01-01

The temporal contrast of an ultrahigh-intensity laser is a crucial parameter for laser plasma experiments. We have developed a multichannel cross-correlator (MCCC) for single-shot measurements of the temporal contrast in a high-power laser system. The MCCC is based on third-order cross-correlation, and has four channels and independent optical delay lines. We have experimentally demonstrated that the MCCC system achieves a high dynamic range of ˜1012 and a large temporal window of ˜1 ns. Moreover, we were able to measure the shot-to-shot fluctuations of a short-prepulse intensity at -26 ps and long-pulse (amplified spontaneous emission, ASE) intensities at -30, -450, and -950 ps before the arrival of the main pulse at the interaction point.

Observational constraints on Hubble parameter in viscous generalized Chaplygin gas

NASA Astrophysics Data System (ADS)

Thakur, P.

2018-04-01

Cosmological model with viscous generalized Chaplygin gas (in short, VGCG) is considered here to determine observational constraints on its equation of state parameters (in short, EoS) from background data. These data consists of H(z)-z (OHD) data, Baryonic Acoustic Oscillations peak parameter, CMB shift parameter and SN Ia data (Union 2.1). Best-fit values of the EoS parameters including present Hubble parameter (H0) and their acceptable range at different confidence limits are determined. In this model the permitted range for the present Hubble parameter and the transition redshift (zt) at 1σ confidence limits are H0= 70.24^{+0.34}_{-0.36} and zt=0.76^{+0.07}_{-0.07} respectively. These EoS parameters are then compared with those of other models. Present age of the Universe (t0) have also been determined here. Akaike information criterion and Bayesian information criterion for the model selection have been adopted for comparison with other models. It is noted that VGCG model satisfactorily accommodates the present accelerating phase of the Universe.

Sun glitter imaging of submarine sand waves on the Taiwan Banks: Determination of the relaxation rate of short waves

NASA Astrophysics Data System (ADS)

Shao, Hao; Li, Yan; Li, Li

2011-06-01

Above sand waves on the seafloor, surface short waves, which are responsible for the radiance distribution in remote sensing imagery, are modulated gradually by the submarine topography. The relaxation rate μr characterizes the rate at which the short waves reach their saturation range after being disturbed. It is a key parameter in the weak hydrodynamic interaction theory and is also a most important parameter in the imaging mechanism used for mapping submarine bottom topography. In this study, a robust expression containing intensity and phase (advection effect) modulations of the perturbed action spectrum of short waves was deduced, by using the first-order weak hydrodynamic interaction theory. On the basis of the phase modulation, a method was developed to determine the relaxation rate in the Sun glitter imaging mechanism. The relaxation rates were estimated using in situ data measured on a cruise over the sand waves of the Taiwan Banks, a sea area between the East China Sea and the South China Sea, on 28-29 August 2006. Results showed that, under a wind speed of 5.0 m s-1, the relaxation rate of short waves was about 0.055 s-1 in response to current variations and about 0.025 s-1 equivalently in response to sea bottom topographic variations. The former value could be applied to interpret the amplitude of submarine topography by using satellite imagery, while the latter one (equivalent relaxation rate μ'r) could help to more accurately calibrate the spatial position of the retrieved sea bottom topography.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Helm, T.; Valdivia, P. N.; Bourret-Courchesne, E.

In this study, e performed resistance measurements onmore » $$\\text{F}{{\\text{e}}_{1+\\delta -x}}$$ Cu x Te with $${{x}_{\\text{EDX}}}\\leqslant 0.06$$ in the presence of in-plane applied magnetic fields, revealing a resistance anisotropy that can be induced at a temperature far below the structural and magnetic zero-field transition temperatures. The observed resistance anisotropy strongly depends on the field orientation with respect to the crystallographic axes, as well as on the field-cooling history. Our results imply a correlation between the observed features and the low-temperature magnetic order. Hysteresis in the angle-dependence indicates a strong pinning of the magnetic order within a temperature range that varies with the Cu content. The resistance anisotropy vanishes at different temperatures depending on whether an external magnetic field or a remnant field is present: the closing temperature is higher in the presence of an external field. For $${{x}_{\\text{EDX}}}=0.06$$ the resistance anisotropy closes above the structural transition, at the same temperature at which the zero-field short-range magnetic order disappears and the sample becomes paramagnetic. Finally, we suggest that under an external magnetic field the resistance anisotropy mirrors the magnetic order parameter. We discuss similarities to nematic order observed in other iron pnictide materials.« less

Effects of nanoparticles on the compatibility of PEO-PMMA block copolymers.

PubMed

Mu, Dan; Li, Jian-Quan; Li, Wei-Dong; Wang, Song

2011-12-01

The compatibility of six kinds of designed poly(ethylene oxide)-block-poly(methyl methacrylate) (PEO-b-PMMA) copolymers was studied at 270, 298 and 400 K via mesoscopic modeling. The values of the order parameters depended on both the structures of the block copolymers and the simulation temperature, while the values of the order parameters of the long chains were higher than those of the short ones; temperature had a more obvious effect on long chains than on the short ones. Plain copolymers doped with poly(ethylene oxide) (PEO) or poly(methyl methacrylate) (PMMA) homopolymer showed different order parameter values. When a triblock copolymer had the same component at both ends and was doped with one of its component polymers as a homopolymer (such as A5B6A5 doped with B6 or A5 homopolymer), the value of its order parameter depended on the simulation temperature. The highest order parameter values were observed for A5B6A5 doped with B6 at 400 K and for A5B6A5 doped with A5 at 270 K. A study of copolymers doped with nanoparticles showed that the mesoscopic phase was influenced by not only the properties of the nanoparticles, such as the size and density, but also the compositions of the copolymers. Increasing the size of the nanoparticles used as a dopant had the most significant effect on the phase morphologies of the copolymers.

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.

Statistical Short-Range Guidance for Peak Wind Forecasts on Kennedy Space Center/Cape Canaveral Air Force Station, Phase III

NASA Technical Reports Server (NTRS)

Crawford, Winifred

2010-01-01

This final report describes the development of a peak wind forecast tool to assist forecasters in determining the probability of violating launch commit criteria (LCC) at Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS). The peak winds are an important forecast element for both the Space Shuttle and Expendable Launch Vehicle (ELV) programs. The LCC define specific peak wind thresholds for each launch operation that cannot be exceeded in order to ensure the safety of the vehicle. The 45th Weather Squadron (45 WS) has found that peak winds are a challenging parameter to forecast, particularly in the cool season months of October through April. Based on the importance of forecasting peak winds, the 45 WS tasked the Applied Meteorology Unit (AMU) to develop a short-range peak-wind forecast tool to assist in forecasting LCC violations.The tool includes climatologies of the 5-minute mean and peak winds by month, hour, and direction, and probability distributions of the peak winds as a function of the 5-minute mean wind speeds.

The growth of the tearing mode - Boundary and scaling effects

NASA Technical Reports Server (NTRS)

Steinolfson, R. S.; Van Hoven, G.

1983-01-01

A numerical model of resistive magnetic tearing is developed in order to verify and relate the results of the principal approximations used in analytic analyses and to investigate the solutions and their growth-rate scalings over a large range of primary parameters which include parametric values applicable to the solar atmosphere. The computations cover the linear behavior for a variety of boundary conditions, emphasizing effects which differentiate magnetic tearing in astrophysical situations from that in laboratory devices. Eigenfunction profiles for long and short wavelengths are computed and the applicability of the 'constant psi' approximation is investigated. The growth rate is computed for values of the magnetic Reynolds number up to a trillion and of the dimensionless wavelength parameter down to 0.001. The analysis predicts significant effects due to differing values of the magnetic Reynolds number.

Examination of the nature of lattice matched III V semiconductor interfaces using computer simulated molecular beam epitaxial growth I. AC/BC interfaces

NASA Astrophysics Data System (ADS)

Thomsen, M.; Ghaisas, S. V.; Madhukar, A.

1987-07-01

A previously developed computer simulation of molecular beam epitaxial growth of III-V semiconductors based on the configuration dependent reactive incorporation (CDRI) model is extended to allow for two different cation species. Attention is focussed on examining the nature of interfaces formed in lattice matched quantum well structures of the form AC/BC/AC(100). We consider cation species with substantially different effective diffusion lengths, as is the case with Al and Ga during the growth of their respective As compounds. The degree of intermixing occuring at the interface is seen to be dependent upon, among other growth parameters, the pressure of the group V species during growth. Examination of an intraplanar order parameter at the interfaces reveals the existence of short range clustering of the cation species.

Measurement and calculation of ternary oxide mixtures for thin films for ultra short pulse laser optics

NASA Astrophysics Data System (ADS)

Jupé, M.; Mende, M.; Kolleck, C.; Ristau, D.; Gallais, L.; Mangote, B.

2011-12-01

The femto-second technology gains of increasing importance in industrial applications. In this context, a new generation of compact and low cost laser sources has to be provided on a commercial basis. Typical pulse durations of these sources are specified in the range from a few hundred femtoup to some pico-seconds, and typical wavelengths are centered around 1030-1080nm. As a consequence, also the demands imposed on high power optical components for these laser sources are rapidly increasing, especially in respect to their power handling capability in the ultra-short pulse range. The present contribution is dedicated to some aspects for improving this quality parameter of optical coatings. The study is based on a set of hafnia and silica mixtures with different compositions and optical band gaps. This material combination displays under ultra-short pulse laser irradiation effects, which are typically for thermal processes. For instance, melting had been observed in the morphology of damaged sides. In this context, models for a prediction of the laser damage thresholds and scaling laws are scrutinized, and have been modified calculating the energy of the electron ensemble. Furthermore, a simple first order approach for the calculation of the temperature was included.

Acute Physiological Responses to Short- and Long-Stage High-Intensity Interval Exercise in Cardiac Rehabilitation: A Pilot Study

PubMed Central

Tschakert, Gerhard; Kroepfl, Julia M.; Mueller, Alexander; Harpf, Hanns; Harpf, Leonhard; Traninger, Heimo; Wallner-Liebmann, Sandra; Stojakovic, Tatjana; Scharnagl, Hubert; Meinitzer, Andreas; Pichlhoefer, Patriz; Hofmann, Peter

2016-01-01

Despite described benefits of aerobic high-intensity interval exercise (HIIE), the acute responses during different HIIE modes and associated health risks have only been sparsely discovered in heart disease patients. Therefore, the aim of this study was to investigate the acute responses for physiological parameters, cardiovascular and inflammatory biomarkers, and catecholamines yielded by two different aerobic HIIE protocols compared to continuous exercise (CE) in phase III cardiac rehabilitation. Eight cardiac patients (7 with coronary heart disease, 1 with myocarditis; 7 males, 1 female; age: 63.0 ± 9.4 years; height: 1.74 ± 0.05 m; weight: 83.6 ± 8.7 kg), all but one treated with ß-blocking agents, performed a maximal symptom-limited incremental exercise test (IET) and three different exercise tests matched for mean load (Pmean) and total duration: 1) short HIIE with a peak workload duration (tpeak) of 20 s and a peak workload (Ppeak) equal to the maximum power output (Pmax) from IET; 2) long HIIE with a tpeak of 4 min, Ppeak was corresponding to the power output at 85 % of maximal heart rate (HRmax) from IET; 3) CE with a target workload equal to Pmean of both HIIE modes. Acute metabolic and peak cardiorespiratory responses were significantly higher during long HIIE compared to short HIIE and CE (p < 0.05) except HRpeak which tended to be higher in long HIIE than in short HIIE (p = 0.08). Between short HIIE and CE, no significant difference was found for any parameter. Acute responses of cardiovascular and inflammatory biomarkers and catecholamines didn’t show any significant difference between tests (p > 0.05). All health-related variables remained in a normal range in any test except NT-proBNP, which was already elevated at baseline. Despite a high Ppeak particularly in short HIIE, both HIIE modes were as safe and as well tolerated as moderate CE in cardiac patients by using our methodological approach. Key points High-intensity interval exercise (HIIE) with short peak workload durations (tpeak) induce a lower acute metabolic and peak cardiorespiratory response compared to intervals with long tpeak despite higher peak workload intensities and identical mean load. No significant difference for any physiological parameter was found between short HIIE and CE. Between short HIIE, long HIIE, and CE, no significant difference was found in the increase (or decrease, respectively,) of health related markers such as cardiovascular biomarkers, catecholamines, or inflammatory parameters during exercise. During all exercise modes, all risk markers remained in a normal range except for NT-proBNP which was, however, already elevated at baseline. Short HIIE, long HIIE, and CE were safely performed by patients with CHD or myocarditis in cardiac rehabilitation by using our methodological approach to exercise prescription. This approach included the prescription of exercise intensities with respect to LTP1, LTP2, and Pmax as well as a conscious setting of Pmean at a moderate level (80 % of PLTP2). Importantly, all exercise modes were matched for Pmean and exercise duration in order to enable a comparison of the three protocols. PMID:26957930

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.

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.

The influence of process parameters on porosity formation in hybrid LASER-GMA welding of AA6082 aluminum alloy

NASA Astrophysics Data System (ADS)

Ascari, Alessandro; Fortunato, Alessandro; Orazi, Leonardo; Campana, Giampaolo

2012-07-01

This paper deals with an experimental campaign carried out on AA6082 8 mm thick plates in order to investigate the role of process parameters on porosity formation in hybrid LASER-GMA welding. Bead on plate weldments were obtained on the above mentioned aluminum alloy considering the variation of the following process parameters: GMAW current (120 and 180 A for short-arc mode, 90 and 130 A for pulsed-arc mode), arc transfer mode (short-arc and pulsed-arc) and mutual distance between arc and LASER sources (0, 3 and 6 mm). Porosities occurring in the fused zone were observed by means of X-ray inspection and measured exploiting an image analysis software. In order to understand the possible correlation between process parameters and porosity formation an analysis of variance statistical approach was exploited. The obtained results pointed out that GMAW current is significant on porosity formation, while the distance between the sources do not affect this aspect.

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.

Modeling the Hydrogen Solubility in Liquid Aluminum Alloys

NASA Astrophysics Data System (ADS)

Harvey, Jean-Philippe; Chartrand, Patrice

2010-08-01

The modeling of hydrogen solubility in multicomponent Al-(Li, Mg, Cu, and Si) liquid phase has been performed with a thermodynamic approach using the modified quasichemical model with the pair approximation (MQMPA). All hydrogen solubility data available in literature was assessed critically to obtain the binary parameters of the MQMPA model for the Al-H, Li-H, Mg-H, Cu-H, Zn-H, and Si-H melts. For the Li-H system, a new thermodynamic description of the stable solid lithium hydride was determined based on the c p found in literature. The thermodynamic model for the Al-Li system also was reassessed in this work to take into account the short-range ordering observed for this system. Built-in interpolation techniques allow the model to estimate the thermodynamic properties of the multicomponent liquid solution from the liquid model parameters of the lower order subsystems. A comparison of the calculated hydrogen solubility performed at various equilibrium conditions of temperature, pressure, and composition with the available experimental data found in the literature is presented in this work, as well as a comparison with some results from previous modeling.

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

DOE PAGES

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.

Special quasiordered structures: Role of short-range order in the semiconductor alloy (GaN) 1 -x(ZnO) x

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.

In orbit adiabatic demagnetization refrigeration for bolometric and microcalorimetric detectors

NASA Astrophysics Data System (ADS)

Hepburn, I. D.; Ade, P. A. R.; Davenport, I.; Smith, A.; Sumner, T. J.

1992-12-01

The new generation of photon detectors for satellite based mm/submm and X-ray astronomical observations require cooling to temperatures in the range 60 to 300 mK. At present Adiabatic Demagnetization Refrigeration (ADR) is the best proposed technique for producing these temperatures in orbit due to its inherent simplicity and gravity independent operation. For the efficient utilization of an ADR it is important to realize long operational times at base temperature with short recycle times. These criteria are dependent on several parameters; the required operating temperature, the cryogen bath temperature, the amount of heat leakage to the paramagnetic salt, the volume and type of salt and the maximum obtainable magnetic field. For space application these parameters are restricted by the limitations imposed on the physical size, the mass, the available electrical power and the cooling power available. The design considerations required in order to match these parameters are described and test data from a working laboratory system is presented.

The influence of magnetic order on the magnetoresistance anisotropy of Fe 1 + δ–xCu xTe

DOE PAGES

Helm, T.; Valdivia, P. N.; Bourret-Courchesne, E.; ...

2017-05-17

In this study, e performed resistance measurements onmore » $$\\text{F}{{\\text{e}}_{1+\\delta -x}}$$ Cu x Te with $${{x}_{\\text{EDX}}}\\leqslant 0.06$$ in the presence of in-plane applied magnetic fields, revealing a resistance anisotropy that can be induced at a temperature far below the structural and magnetic zero-field transition temperatures. The observed resistance anisotropy strongly depends on the field orientation with respect to the crystallographic axes, as well as on the field-cooling history. Our results imply a correlation between the observed features and the low-temperature magnetic order. Hysteresis in the angle-dependence indicates a strong pinning of the magnetic order within a temperature range that varies with the Cu content. The resistance anisotropy vanishes at different temperatures depending on whether an external magnetic field or a remnant field is present: the closing temperature is higher in the presence of an external field. For $${{x}_{\\text{EDX}}}=0.06$$ the resistance anisotropy closes above the structural transition, at the same temperature at which the zero-field short-range magnetic order disappears and the sample becomes paramagnetic. Finally, we suggest that under an external magnetic field the resistance anisotropy mirrors the magnetic order parameter. We discuss similarities to nematic order observed in other iron pnictide materials.« less

Estimating short-period dynamics using an extended Kalman filter

NASA Technical Reports Server (NTRS)

Bauer, Jeffrey E.; Andrisani, Dominick

1990-01-01

An extended Kalman filter (EKF) is used to estimate the parameters of a low-order model from aircraft transient response data. The low-order model is a state space model derived from the short-period approximation of the longitudinal aircraft dynamics. The model corresponds to the pitch rate to stick force transfer function currently used in flying qualities analysis. Because of the model chosen, handling qualities information is also obtained. The parameters are estimated from flight data as well as from a six-degree-of-freedom, nonlinear simulation of the aircraft. These two estimates are then compared and the discrepancies noted. The low-order model is able to satisfactorily match both flight data and simulation data from a high-order computer simulation. The parameters obtained from the EKF analysis of flight data are compared to those obtained using frequency response analysis of the flight data. Time delays and damping ratios are compared and are in agreement. This technique demonstrates the potential to determine, in near real time, the extent of differences between computer models and the actual aircraft. Precise knowledge of these differences can help to determine the flying qualities of a test aircraft and lead to more efficient envelope expansion.

Theory of polyelectrolytes in solvents.

PubMed

Chitanvis, Shirish M

2003-12-01

Using a continuum description, we account for fluctuations in the ionic solvent surrounding a Gaussian, charged chain and derive an effective short-ranged potential between the charges on the chain. This potential is repulsive at short separations and attractive at longer distances. The chemical potential can be derived from this potential. When the chemical potential is positive, it leads to a meltlike state. For a vanishingly low concentration of segments, this state exhibits scaling behavior for long chains. The Flory exponent characterizing the radius of gyration for long chains is calculated to be approximately 0.63, close to the classical value obtained for second order phase transitions. For short chains, the radius of gyration varies linearly with N, the chain length, and is sensitive to the parameters in the interaction potential. The linear dependence on the chain length N indicates a stiff behavior. The chemical potential associated with this interaction changes sign, when the screening length in the ionic solvent exceeds a critical value. This leads to condensation when the chemical potential is negative. In this state, it is shown using the mean-field approximation that spherical and toroidal condensed shapes can be obtained. The thickness of the toroidal polyelectrolyte is studied as a function of the parameters of the model, such as the ionic screening length. The predictions of this theory should be amenable to experimental verification.

Broken Symmetry

ScienceCinema

Englert, Francois

2018-05-24

- Physics, as we know it, attempts to interpret the diverse natural phenomena as particular manifestations of general laws. This vision of a world ruled by general testable laws is relatively recent in the history of mankind. Basically it was initiated by the Galilean inertial principle. The subsequent rapid development of large-scale physics is certainly tributary to the fact that gravitational and electromagnetic forces are long-range and hence can be perceived directly without the mediation of highly sophisticated technical devices. - The discovery of subatomic structures and of the concomitant weak and strong short-range forces raised the question of how to cope with short-range forces in relativistic quantum field theory. The Fermi theory of weak interactions, formulated in terms of point-like current-current interaction, was well-defined in lowest order perturbation theory and accounted for existing experimental data.However, it was inconsistent in higher orders because of uncontrollable divergent quantum fluctuations. In technical terms, in contradistinction to quantum electrodynamics, the Fermi theorywas not “renormalizable”. This difficulty could not be solved by smoothing the point-like interaction by a massive, and therefore short-range, charged “vector” particle exchange: theories with massive charged vector bosons were not renormalizable either. In the early nineteen sixties, there seemed to be insuperable obstacles to formulating a consistent theory with short-range forces mediated by massive vectors. - The breakthrough came from the notion of spontaneous symmetry breaking which arose in the study of phase transitions and was introduced in field theory by Nambu in 1960. - Ferromagnets illustrate the notion in phase transitions. Although no direction is dynamically preferred, the magnetization selects a global orientation. This is a spontaneous broken symmetry(SBS)of rotational invariance. Such continuous SBS imply the existence of “massless” modes (here spin-waves), which are the ancestors of the NG bosons discussed below. Fluctuations of the order parameter (the magnetization) are described by a “massive” SBS mode. - In field theory, Nambu showed that broken chiral symmetry from a spontaneous generation of hadron masses induces massless pseudoscalar modes (identified with a massless limit of pion fields). This illustrates a general phenomenon made explicit by Goldstone: massless Nambu-Goldstone (NG) bosons are a necessary concomitant of spontaneously broken continuous symmetries. Massive SBS scalars bosons describe, as in phase transitions, the fluctuations of the SBS order parameters. - In 1964, with Robert Brout, we discovered a mechanism based on SBS by which short range interactions are generated from long range ones. A similar proposal was then made independently by Higgs in a different approach. Qualitatively, our mechanism works as follows. The long range fundamental electromagnetic and gravitational interactions are governed by extended symmetries,called gauge symmetries, which were supposed to guarantee that the elementary field constituents which transmit the forces, photons or gravitons, be massless. We considered a generalization of the electromagnetic “vector” field, known as Yang-Mills fields, and coupled them to fields which acquire from SBS constant values in the vacuum. These fields pervade space, as did magnetization, but they have no spatial orientation: they are “scalar’’ fields. The vector Yang-Mills fields which interact with the scalar fields become massive and hence the forces they mediate become short ranged. We also showed that the mechanism can survive in absence of elementary scalar fields. - Because of the extended symmetries, the nature of SBS is profoundly altered: the NG fields are absorbed into the massive vector Yang-Mills fields and restore the gauge symmetry. This has a dramatic consequence. To confront precision experiments, the mechanism should be consistent at the quantum mechanical level, or in technical terms, should yield a “renormalizable” theory. From our analysis of the preserved gauge symmetry, we suggested in 1966 that this is indeed the case, in contradistinction to the aforementioned earlier theories of charged massive vector fields. The full proof of “renormalizability” is subtle and was achieved in the impressive work of ‘t Hooft and Veltman. One gains some insight into the subtleties by making explicit the equivalence of Higgs’ approach with ours. - To a large extend, the LHC was build to detect the massive SBS scalar boson, i.e. the fluctuations of the scalar field. More elaborate realizations of the mechanism without elementary scalars are possible, but their experimental confirmation may (or may not) be outside the scope of present available technology. - The mechanism of Brout, Englert and Higgs unified in the same theoretical framework short- and long-range forces. It became the cornerstone of the electroweak theory and opened the way to a modern view on unified laws of nature.

Wall Shear Stress Distribution in a Patient-Specific Cerebral Aneurysm Model using Reduced Order Modeling

NASA Astrophysics Data System (ADS)

Han, Suyue; Chang, Gary Han; Schirmer, Clemens; Modarres-Sadeghi, Yahya

2016-11-01

We construct a reduced-order model (ROM) to study the Wall Shear Stress (WSS) distributions in image-based patient-specific aneurysms models. The magnitude of WSS has been shown to be a critical factor in growth and rupture of human aneurysms. We start the process by running a training case using Computational Fluid Dynamics (CFD) simulation with time-varying flow parameters, such that these parameters cover the range of parameters of interest. The method of snapshot Proper Orthogonal Decomposition (POD) is utilized to construct the reduced-order bases using the training CFD simulation. The resulting ROM enables us to study the flow patterns and the WSS distributions over a range of system parameters computationally very efficiently with a relatively small number of modes. This enables comprehensive analysis of the model system across a range of physiological conditions without the need to re-compute the simulation for small changes in the system parameters.

Critical exponent analysis of lightly germanium-doped La0.7Ca0.3Mn1-xGexO3 (x = 0.05 and x = 0.07)

NASA Astrophysics Data System (ADS)

Nanto, Dwi; Kurniawan, Budhy; Soegijono, Bambang; Ghosh, Nilotpal; Hwang, Jong-Soon; Yu, Seong-Cho

2018-04-01

We have used a critical behavior study of La0.7Ca0.3MnO3 (LCMO) manganite perovskites whose Mn sites have been doped with Ge to explore magnetic interactions. Light Ge doping of 5 or 7 percent tended to produce LCMOs with second order magnetic transitions. The critical parameters of 5- and 7-percent Ge-doped LCMO were determined to be TC = 185 K, β = 0.331 ± 0.019, and γ = 1.15 ± 0.017; and TC = 153 K, β = 0.496 ± 0.011, and γ = 1.03 ± 0.046, respectively, via the modified Arrott plot method. Isothermal magnetization data collected near the Curie temperature (TC) was split into a universal function with two branches M(H,ɛ) = |ɛ|βf±(H/|ɛ|β+γ), where ɛ=(T-TC)/TC is the reduced temperature. f+ is used when T>TC, while f̲ is used when T

Introducing a new family of short-range potentials and their numerical solutions using the asymptotic iteration method

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.

Quantum criticality among entangled spin chains

DOE PAGES

Blanc, N.; Trinh, J.; Dong, L.; ...

2017-12-11

Here, an important challenge in magnetism is the unambiguous identification of a quantum spin liquid, of potential importance for quantum computing. In such a material, the magnetic spins should be fluctuating in the quantum regime, instead of frozen in a classical long-range-ordered state. While this requirement dictates systems wherein classical order is suppressed by a frustrating lattice, an ideal system would allow tuning of quantum fluctuations by an external parameter. Conventional three-dimensional antiferromagnets can be tuned through a quantum critical point—a region of highly fluctuating spins—by an applied magnetic field. Such systems suffer from a weak specific-heat peak at themore » quantum critical point, with little entropy available for quantum fluctuations. Here we study a different type of antiferromagnet, comprised of weakly coupled antiferromagnetic spin-1/2 chains as realized in the molecular salt K 2PbCu(NO 2) 6. Across the temperature–magnetic field boundary between three-dimensional order and the paramagnetic phase, the specific heat exhibits a large peak whose magnitude approaches a value suggestive of the spinon Sommerfeld coefficient of isolated quantum spin chains. These results demonstrate an alternative approach for producing quantum matter via a magnetic-field-induced shift of entropy from one-dimensional short-range order to a three-dimensional quantum critical point.« less

Quantum criticality among entangled spin chains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blanc, N.; Trinh, J.; Dong, L.

Here, an important challenge in magnetism is the unambiguous identification of a quantum spin liquid, of potential importance for quantum computing. In such a material, the magnetic spins should be fluctuating in the quantum regime, instead of frozen in a classical long-range-ordered state. While this requirement dictates systems wherein classical order is suppressed by a frustrating lattice, an ideal system would allow tuning of quantum fluctuations by an external parameter. Conventional three-dimensional antiferromagnets can be tuned through a quantum critical point—a region of highly fluctuating spins—by an applied magnetic field. Such systems suffer from a weak specific-heat peak at themore » quantum critical point, with little entropy available for quantum fluctuations. Here we study a different type of antiferromagnet, comprised of weakly coupled antiferromagnetic spin-1/2 chains as realized in the molecular salt K 2PbCu(NO 2) 6. Across the temperature–magnetic field boundary between three-dimensional order and the paramagnetic phase, the specific heat exhibits a large peak whose magnitude approaches a value suggestive of the spinon Sommerfeld coefficient of isolated quantum spin chains. These results demonstrate an alternative approach for producing quantum matter via a magnetic-field-induced shift of entropy from one-dimensional short-range order to a three-dimensional quantum critical point.« less

Quantum criticality among entangled spin chains

NASA Astrophysics Data System (ADS)

Blanc, N.; Trinh, J.; Dong, L.; Bai, X.; Aczel, A. A.; Mourigal, M.; Balents, L.; Siegrist, T.; Ramirez, A. P.

2018-03-01

An important challenge in magnetism is the unambiguous identification of a quantum spin liquid1,2, of potential importance for quantum computing. In such a material, the magnetic spins should be fluctuating in the quantum regime, instead of frozen in a classical long-range-ordered state. While this requirement dictates systems3,4 wherein classical order is suppressed by a frustrating lattice5, an ideal system would allow tuning of quantum fluctuations by an external parameter. Conventional three-dimensional antiferromagnets can be tuned through a quantum critical point—a region of highly fluctuating spins—by an applied magnetic field. Such systems suffer from a weak specific-heat peak at the quantum critical point, with little entropy available for quantum fluctuations6. Here we study a different type of antiferromagnet, comprised of weakly coupled antiferromagnetic spin-1/2 chains as realized in the molecular salt K2PbCu(NO2)6. Across the temperature-magnetic field boundary between three-dimensional order and the paramagnetic phase, the specific heat exhibits a large peak whose magnitude approaches a value suggestive of the spinon Sommerfeld coefficient of isolated quantum spin chains. These results demonstrate an alternative approach for producing quantum matter via a magnetic-field-induced shift of entropy from one-dimensional short-range order to a three-dimensional quantum critical point.

An Embedded Sensory System for Worker Safety: Prototype Development and Evaluation

PubMed Central

Cho, Chunhee; Park, JeeWoong

2018-01-01

At a construction site, workers mainly rely on two senses, which are sight and sound, in order to perceive their physical surroundings. However, they are often hindered by the nature of most construction sites, which are usually dynamic, loud, and complicated. To overcome these challenges, this research explored a method using an embedded sensory system that might offer construction workers an artificial sensing ability to better perceive their surroundings. This study identified three parameters (i.e., intensity, signal length, and delay between consecutive pulses) needed for tactile-based signals for the construction workers to communicate quickly. We developed a prototype system based on these parameters, conducted experimental studies to quantify and validate the sensitivity of the parameters for quick communication, and analyzed test data to reveal what was added by this method in order to perceive information from the tactile signals. The findings disclosed that the parameters of tactile-based signals and their distinguishable ranges could be perceived in a short amount of time (i.e., a fraction of a second). Further experimentation demonstrated the capability of the identified unit signals combined with a signal mapping technique to effectively deliver simple information to individuals and offer an additional sense of awareness to the surroundings. The findings of this study could serve as a basis for future research in exploring advanced tactile-based messages to overcome challenges in environments for which communication is a struggle. PMID:29662008

An Embedded Sensory System for Worker Safety: Prototype Development and Evaluation.

PubMed

Cho, Chunhee; Park, JeeWoong

2018-04-14

At a construction site, workers mainly rely on two senses, which are sight and sound, in order to perceive their physical surroundings. However, they are often hindered by the nature of most construction sites, which are usually dynamic, loud, and complicated. To overcome these challenges, this research explored a method using an embedded sensory system that might offer construction workers an artificial sensing ability to better perceive their surroundings. This study identified three parameters (i.e., intensity, signal length, and delay between consecutive pulses) needed for tactile-based signals for the construction workers to communicate quickly. We developed a prototype system based on these parameters, conducted experimental studies to quantify and validate the sensitivity of the parameters for quick communication, and analyzed test data to reveal what was added by this method in order to perceive information from the tactile signals. The findings disclosed that the parameters of tactile-based signals and their distinguishable ranges could be perceived in a short amount of time (i.e., a fraction of a second). Further experimentation demonstrated the capability of the identified unit signals combined with a signal mapping technique to effectively deliver simple information to individuals and offer an additional sense of awareness to the surroundings. The findings of this study could serve as a basis for future research in exploring advanced tactile-based messages to overcome challenges in environments for which communication is a struggle.

Period and amplitude of non-volcanic tremors and repeaters: a dimensional analysis

NASA Astrophysics Data System (ADS)

Nielsen, Stefan

2017-04-01

Since its relatively recent discovery, the origin of non-volcanic tremor has been source of great curiosity and debate. Two main interpretations have been proposed, one based on fluid migration, the other relating to slow slip events on a plate boundary (the latter hypothesis has recently gained considerable ground). Here I define the conditions of slip of one or more small asperities embedded within a larger creeping fault patch. The radiation-damping equation coupled with rate-and-state friction evolution equations results in a system of ordinary differential equations. For a finite size asperity, the system equates to a peculiar non-linear damped oscillator, converging to a limit cycle. Dimensional analysis shows that period and amplitude of the oscillations depend on dimensional parameter combinations formed from a limited set of parameters: asperity dimension Γ, rate and state friction parameters (a, b, L), shear stiffness of the medium G, mass density ρ, background creep rate ˙V and normal stress σ. Under realistic parameter ranges, the asperity may show (1) tremor-like short period oscillations, accelerating to radiate sufficient energy to be barely detectable and a periodicity of the order of one to ten Hertz, as observed for non-volcanic tremor activity at the base of large inter-plate faults; (2) isolated stick-slip events with intervals in the order of days to months, as observed in repeater events of modest magnitude within creeping fault sections.

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

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

Structural and magnetic characterization of the complete delafossite solid solution (CuAlO2)1-x(CuCrO2)x

NASA Astrophysics Data System (ADS)

Barton, Phillip; Seshadri, Ram; Knöller, Andrea; Rosseinsky, Matthew

2012-02-01

We have prepared the complete delafossite solid solution between diamagnetic CuAlO2 and the t2g^3 frustrated antiferromagnet CuCrO2. The crystal structure and magnetism were studied with powder x-ray diffraction and magnetometry. The unit cell parameters follow the V'egard law and μeff is equal to the Cr^3+ spin-only S = 3/2 value. θCW is negative and its magnitude increases with Cr substitution. For dilute Cr compositions, JBB was estimated by mean-field theory to be 3.0,eV. Despite the sizable θCW, long-range antiferromagnetic order does not develop until x is almost 1, and is preceeded by glassy behavior. For all samples, the 5,isothermal magnetization is sub-Brillouin and does not saturate in fields up to 5,. A scaled inverse susceptibility plot reveals that significant short-range antiferromagnetic interactions occur in CuCrO2 above its N'eel temperature. Additionally, the Al-substituted samples exhibit uncompensated short-range behavior and x = 0.75 shows glassy characteristics. It is suggested that reduction in magnetic frustration due to the presence of non-magnetic Al does not have as dominant an effect on magnetism as do chemical disorder and dilution of magnetic exchange.

Fine root morphological adaptations in Scots pine, Norway spruce and silver birch along a latitudinal gradient in boreal forests.

PubMed

Ostonen, Ivika; Lõhmus, Krista; Helmisaari, Heljä-Sisko; Truu, Jaak; Meel, Signe

2007-11-01

Variability in short root morphology of the three main tree species of Europe's boreal forest (Norway spruce (Picea abies L. Karst.), Scots pine (Pinus sylvestris L.) and silver birch (Betula pendula Roth)) was investigated in four stands along a latitudinal gradient from northern Finland to southern Estonia. Silver birch and Scots pine were present in three stands and Norway spruce was present in all stands. For three fertile Norway spruce stands, fine root biomass and number of root tips per stand area or unit basal area were assessed from north to south. Principal component analysis indicated that short root morphology was significantly affected by tree species and site, which together explained 34.7% of the total variability. The range of variation in mean specific root area (SRA) was 51-74, 60-70 and 84-124 m(2) kg(-1) for Norway spruce, Scots pine and silver birch, respectively, and the corresponding ranges for specific root length were 37-47, 40-48 and 87-97 m g(-1). The range of variation in root tissue density of Norway spruce, Scots pine and silver birch was 113-182, 127-158 and 81-156 kg m(-3), respectively. Sensitivity of short root morphology to site conditions decreased in the order: Norway spruce > silver birch > Scots pine. Short root SRA increased with site fertility in all species. In Norway spruce, fine root biomass and number of root tips per m(2) decreased from north to south. The differences in morphological parameters among sites were significant but smaller than the site differences in fine root biomass and number of root tips.

Assessment of long-range correlation in animal behavior time series: The temporal pattern of locomotor activity of Japanese quail (Coturnix coturnix) and mosquito larva (Culex quinquefasciatus)

NASA Astrophysics Data System (ADS)

Kembro, Jackelyn M.; Flesia, Ana Georgina; Gleiser, Raquel M.; Perillo, María A.; Marin, Raul H.

2013-12-01

Detrended Fluctuation Analysis (DFA) is a method that has been frequently used to determine the presence of long-range correlations in human and animal behaviors. However, according to previous authors using statistical model systems, in order to correctly use DFA different aspects should be taken into account such as: (1) the establishment by hypothesis testing of the absence of short term correlation, (2) an accurate estimation of a straight line in the log-log plot of the fluctuation function, (3) the elimination of artificial crossovers in the fluctuation function, and (4) the length of the time series. Taking into consideration these factors, herein we evaluated the presence of long-range correlation in the temporal pattern of locomotor activity of Japanese quail (Coturnix coturnix) and mosquito larva (Culex quinquefasciatus). In our study, modeling the data with the general autoregressive integrated moving average (ARFIMA) model, we rejected the hypothesis of short-range correlations (d=0) in all cases. We also observed that DFA was able to distinguish between the artificial crossover observed in the temporal pattern of locomotion of Japanese quail and the crossovers in the correlation behavior observed in mosquito larvae locomotion. Although the test duration can slightly influence the parameter estimation, no qualitative differences were observed between different test durations.

Microwave dielectric relaxation spectroscopy study of propylene glycol/ethanol binary mixtures: Temperature dependence

NASA Astrophysics Data System (ADS)

Vishwam, T.; Shihab, Suriya; Murthy, V. R. K.; Tiong, Ha Sie; Sreehari Sastry, S.

2017-05-01

Complex dielectric permittivity measurements of propylene glycol (PG) in ethanol at various mole fractions were measured by using open-ended coaxial probe technique at different temperatures in the frequency range 0.02 < ν/GHz < 20. The dipole moment (μ), excess dipole moment (Δμ),excess permittivity (εE), excess inverse relaxation time(1/τ)E, Bruggeman parameter (fB), excess Helmholtz energy (ΔFE) are determined using experimental data. From the minimum energy based geometry optimization, dipole moments of individual monomers of propylene glycol and ethanol and their binary system have been evaluated theoretically at gaseous state as well as alcoholic medium by using PCM and IEFPCM solvation models from the Hatree-Fock (HF) and Density Functional Theory (DFT-B3LYP) methods with 6-311G* and 6-311G** basis sets. The obtained results have been interpreted in terms of the short and long range ordering of the dipoles, Kirkwood correlation factor (geff), thermodynamic parameters, mean molecular polarizability (αM) and interaction in the mixture through hydrogen bonding. Dielectric relaxation study of propylene glycol in ethanol medium Determination of excess dielectric and thermodynamic parameters Comparison of experimental dipole moment with theoretical calculations Interpretation of the molecular interactions in the liquid through H-bonding Correlation between the evaluated dielectric parameters and theoretical results

The interplay between viscoelastic and thermodynamic properties determines the birefringence of F-actin gels.

PubMed

Helfer, Emmanuèle; Panine, Pierre; Carlier, Marie-France; Davidson, Patrick

2005-07-01

F-actin gels of increasing concentrations (25-300 microM) display in vitro a progressive onset of birefringence due to orientational ordering of actin filaments. At F-actin concentrations <100 microM, this birefringence can be erased and restored at will by sonication and gentle flow, respectively. Hence, the orientational ordering does not result from a thermodynamic transition to a nematic phase but instead is due to mechanical stresses stored in the gels. In contrast, at F-actin concentrations > or =100 microM, gels display spontaneous birefringence recovery, at rest, which is the sign of true nematic ordering, in good agreement with statistical physics models of the isotropic/nematic transition. Well-aligned samples of F-actin gels could be produced and their small-angle x-ray scattering patterns are quite anisotropic. These patterns show no sign of filament positional short-range order and could be modeled by averaging the form factor with the Maier-Saupe nematic distribution function. The derived nematic order parameter S of the gels ranged from S = 0.7 at 300 microM to S = 0.4 at 25 microM. Both birefringence and small-angle x-ray scattering data indicate that, even in absence of cross-linking proteins, spontaneous cooperative alignment of actin filaments may arise in motile regions of living cells where F-actin concentrations can reach values of a few 100 microM.

Closed form expressions for crack mouth displacements and stress intensity factors for chevron notched short bar and short rod specimens based on experimental compliance measurements

NASA Technical Reports Server (NTRS)

Bubsey, R. T.; Orange, T. W.; Pierce, W. S.; Shannon, J. L., Jr.

1992-01-01

A set of equations are presented describing certain fracture mechanics parameters for chevron notch bar and rod specimens. They are developed by fitting compliance calibration data reported earlier. The equations present the various parameters in their most useful forms. The data encompass the entire range of the specimen geometries most commonly used. Their use will facilitate the testing and analysis of brittle metals, ceramics, and glasses.

Structural origin underlying poor glass forming ability of Al metallic glass

NASA Astrophysics Data System (ADS)

Li, F.; Liu, X. J.; Hou, H. Y.; Chen, G.; Chen, G. L.

2011-07-01

We performed molecular dynamics simulations to study the glass formation and local atomic structure of rapidly quenched Al. Both potential energy and structural parameters indicate that the glass transition temperature of amorphous Al is as low as 300 K, which may lead to the poor thermal stability of the amorphous Al as it is prone to crystallize even at room temperature. Voronoi polyhedra analysis reveals that the most popular polyhedron is the deformed body-centered cubic (bcc) cluster characterized by the index < 0, 3, 6, 4 > in the amorphous Al, while the icosahedron with the index < 0, 0, 12, 0 > is always predominant in bulk metallic glass formers with excellent glass forming ability (GFA). Moreover, these deformed-bcc short-range orders can make up medium-range orders via the linkage of vertex-, edge-, face-, intercrossed-shared atoms, which are believed to more easily transform into face-centered cubic (fcc) Al nanocrystal compared with the icosahedral clusters in terms of the symmetrical similarity between bcc and fcc structures. This finding could unveil the structural origin of poor GFA of Al-based alloys.

Precipitation of coherent Ni{sub 2}(Cr, W) superlattice in an Ni–Cr–W superalloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Xiangyu; Hu, Rui, E-mail: rhu@nwpu.edu.cn; Zhang, Tiebang

2016-01-15

It is demonstrated that a nanometer-sized Ni{sub 2}(Cr, W) superlattice with a Pt{sub 2}Mo-type structure can precipitate in an Ni–Cr–W alloy by means of a simple aging treatment at 550 °C. The dark-field image of short-range order domains has been found for the first time experimentally. The mechanism of short-range order to long-range order transformation has been revealed based on transmission electron microscopy result and static concentration waves theory and found to be continuous ordering. The randomness of the transformation of static concentration waves leads to equiprobable occurrence of the different variants. The transformation of short-range order to long-range ordermore » gives rise to the Pt{sub 2}Mo-type Ni{sub 2}(Cr, W) superlattice. The interfaces between Ni{sub 2}(Cr, W) and Ni-based matrix and the different variants of Ni{sub 2}(Cr, W) have been investigated by high resolution transmission electron microscopy. The results reveal that the interfaces between Ni{sub 2}(Cr, W) and surrounding matrix are coherent at the atomic scale. - Highlights: • The DF image of SRO cluster has been found for the first time experimentally. • The transformation of SRO to LRO gives rise to the Pt{sub 2}Mo-type Ni{sub 2}(Cr, W). • Variants of Ni{sub 2}(Cr, W) occur equiprobably. • The interfaces between Ni{sub 2}(Cr, W) and matrix are coherent at the atomic scale.« less

Surface and finite size effect on fluctuations dynamics in nanoparticles with long-range order

NASA Astrophysics Data System (ADS)

Morozovska, A. N.; Eliseev, E. A.

2010-02-01

The influence of surface and finite size on the dynamics of the order parameter fluctuations and critical phenomena in the three-dimensional (3D)-confined systems with long-range order was not considered theoretically. In this paper, we study the influence of surface and finite size on the dynamics of the order parameter fluctuations in the particles of arbitrary shape. We consider concrete examples of the spherical and cylindrical ferroic nanoparticles within Landau-Ginzburg-Devonshire phenomenological approach. Allowing for the strong surface energy contribution in micro and nanoparticles, the analytical expressions derived for the Ornstein-Zernike correlator of the long-range order parameter spatial-temporal fluctuations, dynamic generalized susceptibility, relaxation times, and correlation radii discrete spectra are different from those known for bulk systems. Obtained analytical expressions for the correlation function of the order parameter spatial-temporal fluctuations in micro and nanosized systems can be useful for the quantitative analysis of the dynamical structural factors determined from magnetic resonance diffraction and scattering spectra. Besides the practical importance of the correlation function for the analysis of the experimental data, derived expressions for the fluctuations strength determine the fundamental limits of phenomenological theories applicability for 3D-confined systems.

Atomistic clustering-ordering and high-strain deformation of an Al0.1CrCoFeNi high-entropy alloy

PubMed Central

Sharma, Aayush; Singh, Prashant; Johnson, Duane D.; Liaw, Peter K.; Balasubramanian, Ganesh

2016-01-01

Computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-Jones potential in classical molecular-dynamics simulations. The simulation results are validated by a comparison to first-principles Korringa-Kohn-Rostoker (KKR) - Coherent Potential Approximation (CPA) [KKR-CPA] calculations for the HEA structural properties (lattice constants and bulk moduli), relative stability, pair probabilities, and high-temperature short-range ordering. The simulation (MD)-derived properties are in quantitative agreement with KKR-CPA calculations (first-principles) and experiments. We study AlxCrCoFeNi for Al ranging from 0 ≤ x ≤2 mole fractions, and find that the HEA shows large chemical clustering over a wide temperature range for x < 0.5. At various temperatures high-strain compression promotes atomistic rearrangements in Al0.1CrCoFeNi, resulting in a clustering-to-ordering transition that is absent for tensile loading. Large fluctuations under stress, and at higher temperatures, are attributed to the thermo-plastic instability in Al0.1CrCoFeNi. PMID:27498807

Atomistic clustering-ordering and high-strain deformation of an Al 0.1CrCoFeNi high-entropy alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, Aayush; Singh, Prashant; Johnson, Duane D.

2016-08-08

Here, computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-Jones potential in classical molecular-dynamics simulations. The simulation results are validated by a comparison to first-principles Korringa-Kohn-Rostoker (KKR) - Coherent Potential Approximation (CPA) [KKR-CPA] calculations for the HEA structural properties (lattice constants and bulk moduli), relative stability, pair probabilities, and high-temperature short-range ordering. The simulation (MD)-derived propertiesmore » are in quantitative agreement with KKR-CPA calculations (first-principles) and experiments. We study Al xCrCoFeNi for Al ranging from 0 ≤ x ≤2 mole fractions, and find that the HEA shows large chemical clustering over a wide temperature range for x < 0.5. At various temperatures high-strain compression promotes atomistic rearrangements in Al 0.1CrCoFeNi, resulting in a clustering-to-ordering transition that is absent for tensile loading. Large fluctuations under stress, and at higher temperatures, are attributed to the thermo-plastic instability in Al 0.1CrCoFeNi.« less

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

NASA Astrophysics Data System (ADS)

Bernazzani, Paul; Delmas, Genevieve

1998-03-01

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

Observation of short range order driven large refrigerant capacity in chemically disordered single phase compound Dy2Ni0.87Si2.95.

PubMed

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.

Environmental and management influences on temporal variability of near saturated soil hydraulic properties.

PubMed

Bodner, G; Scholl, P; Loiskandl, W; Kaul, H-P

2013-08-01

Structural porosity is a decisive property for soil productivity and soil environmental functions. Hydraulic properties in the structural range vary over time in response to management and environmental influences. Although this is widely recognized, there are few field studies that determine dominant driving forces underlying hydraulic property dynamics. During a three year field experiment we measured temporal variability of soil hydraulic properties by tension infiltrometry. Soil properties were characterized by hydraulic conductivity, effective macroporosity and Kosugi's lognormal pore size distribution model. Management related influences comprised three soil cover treatment (mustard and rye vs. fallow) and an initial mechanical soil disturbance with a rotary harrow. Environmental driving forces were derived from meteorological and soil moisture data. Soil hydraulic parameters varied over time by around one order of magnitude. The coefficient of variation of soil hydraulic conductivity K(h) decreased from 69.5% at saturation to 42.1% in the more unsaturated range (- 10 cm pressure head). A slight increase in the Kosugi parameter showing pore heterogeneity was observed under the rye cover crop, reflecting an enhanced structural porosity. The other hydraulic parameters were not significantly influenced by the soil cover treatments. Seedbed preparation with a rotary harrow resulted in a fourfold increase in macroporosity and hydraulic conductivity next to saturation, and homogenized the pore radius distribution. Re-consolidation after mechanical loosening lasted over 18 months until the soil returned to its initial state. The post-tillage trend of soil settlement could be approximated by an exponential decay function. Among environmental factors, wetting-drying cycles were identified as dominant driving force explaining short term hydraulic property changes within the season (r 2  = 0.43 to 0.59). Our results suggested that beside considering average management induced changes in soil properties (e.g. cover crop introduction), a dynamic approach to hydrological modeling is required to capture over-seasonal (tillage driven) and short term (environmental driven) variability in hydraulic parameters.

Environmental and management influences on temporal variability of near saturated soil hydraulic properties☆

PubMed Central

Bodner, G.; Scholl, P.; Loiskandl, W.; Kaul, H.-P.

2013-01-01

Structural porosity is a decisive property for soil productivity and soil environmental functions. Hydraulic properties in the structural range vary over time in response to management and environmental influences. Although this is widely recognized, there are few field studies that determine dominant driving forces underlying hydraulic property dynamics. During a three year field experiment we measured temporal variability of soil hydraulic properties by tension infiltrometry. Soil properties were characterized by hydraulic conductivity, effective macroporosity and Kosugi's lognormal pore size distribution model. Management related influences comprised three soil cover treatment (mustard and rye vs. fallow) and an initial mechanical soil disturbance with a rotary harrow. Environmental driving forces were derived from meteorological and soil moisture data. Soil hydraulic parameters varied over time by around one order of magnitude. The coefficient of variation of soil hydraulic conductivity K(h) decreased from 69.5% at saturation to 42.1% in the more unsaturated range (− 10 cm pressure head). A slight increase in the Kosugi parameter showing pore heterogeneity was observed under the rye cover crop, reflecting an enhanced structural porosity. The other hydraulic parameters were not significantly influenced by the soil cover treatments. Seedbed preparation with a rotary harrow resulted in a fourfold increase in macroporosity and hydraulic conductivity next to saturation, and homogenized the pore radius distribution. Re-consolidation after mechanical loosening lasted over 18 months until the soil returned to its initial state. The post-tillage trend of soil settlement could be approximated by an exponential decay function. Among environmental factors, wetting-drying cycles were identified as dominant driving force explaining short term hydraulic property changes within the season (r2 = 0.43 to 0.59). Our results suggested that beside considering average management induced changes in soil properties (e.g. cover crop introduction), a dynamic approach to hydrological modeling is required to capture over-seasonal (tillage driven) and short term (environmental driven) variability in hydraulic parameters. PMID:24748683

Two-dimensional quasistatic stationary short range surface plasmons in flat nanoprisms.

PubMed

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.

Intra-pulse modulation recognition using short-time ramanujan Fourier transform spectrogram

NASA Astrophysics Data System (ADS)

Ma, Xiurong; Liu, Dan; Shan, Yunlong

2017-12-01

Intra-pulse modulation recognition under negative signal-to-noise ratio (SNR) environment is a research challenge. This article presents a robust algorithm for the recognition of 5 types of radar signals with large variation range in the signal parameters in low SNR using the combination of the Short-time Ramanujan Fourier transform (ST-RFT) and pseudo-Zernike moments invariant features. The ST-RFT provides the time-frequency distribution features for 5 modulations. The pseudo-Zernike moments provide invariance properties that are able to recognize different modulation schemes on different parameter variation conditions from the ST-RFT spectrograms. Simulation results demonstrate that the proposed algorithm achieves the probability of successful recognition (PSR) of over 90% when SNR is above -5 dB with large variation range in the signal parameters: carrier frequency (CF) for all considered signals, hop size (HS) for frequency shift keying (FSK) signals, and the time-bandwidth product for Linear Frequency Modulation (LFM) signals.

Metabolic differences between short children with GH peak levels in the lower normal range and healthy children of normal height.

PubMed

Tidblad, Anders; Gustafsson, Jan; Marcus, Claude; Ritzén, Martin; Ekström, Klas

2017-06-01

Severe growth hormone deficiency (GHD) leads to several metabolic effects in the body ranging from abnormal body composition to biochemical disturbances. However, less is known regarding these parameters in short children with GH peak levels in the lower normal range during provocation tests. Our aim was to study the metabolic profile of this group and compare it with that of healthy children of normal height. Thirty-five pre-pubertal short children (<-2.5 SDS) aged between 7 and 10years, with peak levels of GH between 7 and 14μg/L in an arginine insulin tolerance test (AITT), were compared with twelve age- and sex-matched children of normal height. The metabolic profile of the subjects was analysed by blood samples, DEXA, frequently sampled intravenous glucose tolerance test, microdialysis and stable isotope examinations of rates of glucose production and lipolysis. There were no overall significant metabolic differences between the groups. However, in the subgroup analysis, the short children with GH peaks <10μg/L had significantly lower fasting insulin levels which also correlated to other metabolic parameters. The short pre-pubertal children with GH peak levels between 7 and 14μg/L did not differ significantly from healthy children of normal height but subpopulations within this group show significant metabolic differences. Copyright © 2017 Elsevier Ltd. All rights reserved.

Biaxial order parameter in the homologous series of orthogonal bent-core smectic liquid crystals

NASA Astrophysics Data System (ADS)

Sreenilayam, S.; Panarin, Y. P.; Vij, J. K.; Osipov, M.; Lehmann, A.; Tschierske, C.

2013-07-01

The fundamental parameter of the uniaxial liquid crystalline state that governs nearly all of its physical properties is the primary orientational order parameter (S) for the long axes of molecules with respect to the director. The biaxial liquid crystals (LCs) possess biaxial order parameters depending on the phase symmetry of the system. In this paper we show that in the first approximation a biaxial orthogonal smectic phase can be described by two primary order parameters: S for the long axes and C for the ordering of the short axes of molecules. The temperature dependencies of S and C are obtained by the Haller's extrapolation technique through measurements of the optical birefringence and biaxiality on a nontilted polar antiferroelectric (Sm-APA) phase of a homologous series of LCs built from the bent-core achiral molecules. For such a biaxial smectic phase both S and C, particularly the temperature dependency of the latter, are being experimentally determined. Results show that S in the orthogonal smectic phase composed of bent cores is higher than in Sm-A calamatic LCs and C is also significantly large.

A modulation wave approach to the order hidden in disorder

PubMed Central

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

Granule-by-granule reconstruction of a sandpile from x-ray microtomography data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seidler, G. T.; Martinez, G.; Seeley, L. H.

2000-12-01

Mesoscale disordered materials are ubiquitous in industry and in the environment. Any fundamental understanding of the transport and mechanical properties of such materials must follow from a thorough understanding of their structure. However, in the overwhelming majority of cases, experimental characterization of such materials has been limited to first- and second-order structural correlation functions, i.e., the mean filling fraction and the structural autocorrelation function. We report here the successful combination of synchrotron x-ray microtomography and image processing to determine the full three-dimensional real-space structure of a model disordered material, a granular bed of relatively monodisperse glass spheres. Specifically, we determinemore » the center location and the local connectivity of each granule. This complete knowledge of structure can be used to calculate otherwise inaccessible high-order correlation functions. We analyze nematic order parameters for contact bonds to characterize the geometric anisotropy or fabric induced by the sample boundary conditions. Away from the boundaries we find short-range bond orientational order exhibiting characteristics of the underlying polytetrahedral structure.« less

Machine learning topological states

NASA Astrophysics Data System (ADS)

Deng, Dong-Ling; Li, Xiaopeng; Das Sarma, S.

2017-11-01

Artificial neural networks and machine learning have now reached a new era after several decades of improvement where applications are to explode in many fields of science, industry, and technology. Here, we use artificial neural networks to study an intriguing phenomenon in quantum physics—the topological phases of matter. We find that certain topological states, either symmetry-protected or with intrinsic topological order, can be represented with classical artificial neural networks. This is demonstrated by using three concrete spin systems, the one-dimensional (1D) symmetry-protected topological cluster state and the 2D and 3D toric code states with intrinsic topological orders. For all three cases, we show rigorously that the topological ground states can be represented by short-range neural networks in an exact and efficient fashion—the required number of hidden neurons is as small as the number of physical spins and the number of parameters scales only linearly with the system size. For the 2D toric-code model, we find that the proposed short-range neural networks can describe the excited states with Abelian anyons and their nontrivial mutual statistics as well. In addition, by using reinforcement learning we show that neural networks are capable of finding the topological ground states of nonintegrable Hamiltonians with strong interactions and studying their topological phase transitions. Our results demonstrate explicitly the exceptional power of neural networks in describing topological quantum states, and at the same time provide valuable guidance to machine learning of topological phases in generic lattice models.

First-order kinetic gas generation model parameters for wet landfills.

PubMed

Faour, Ayman A; Reinhart, Debra R; You, Huaxin

2007-01-01

Landfill gas collection data from wet landfill cells were analyzed and first-order gas generation model parameters were estimated for the US EPA landfill gas emissions model (LandGEM). Parameters were determined through statistical comparison of predicted and actual gas collection. The US EPA LandGEM model appeared to fit the data well, provided it is preceded by a lag phase, which on average was 1.5 years. The first-order reaction rate constant, k, and the methane generation potential, L(o), were estimated for a set of landfills with short-term waste placement and long-term gas collection data. Mean and 95% confidence parameter estimates for these data sets were found using mixed-effects model regression followed by bootstrap analysis. The mean values for the specific methane volume produced during the lag phase (V(sto)), L(o), and k were 33 m(3)/Megagrams (Mg), 76 m(3)/Mg, and 0.28 year(-1), respectively. Parameters were also estimated for three full scale wet landfills where waste was placed over many years. The k and L(o) estimated for these landfills were 0.21 year(-1), 115 m(3)/Mg, 0.11 year(-1), 95 m(3)/Mg, and 0.12 year(-1) and 87 m(3)/Mg, respectively. A group of data points from wet landfills cells with short-term data were also analyzed. A conservative set of parameter estimates was suggested based on the upper 95% confidence interval parameters as a k of 0.3 year(-1) and a L(o) of 100 m(3)/Mg if design is optimized and the lag is minimized.

Monthly means of selected climate variables for 1985 - 1989

NASA Technical Reports Server (NTRS)

Schubert, S.; Wu, C.-Y.; Zero, J.; Schemm, J.-K.; Park, C.-K.; Suarez, M.

1992-01-01

Meteorologists are accustomed to viewing instantaneous weather maps, since these contain the most relevant information for the task of producing short-range weather forecasts. Climatologists, on the other hand, tend to deal with long-term means, which portray the average climate. The recent emphasis on dynamical extended-range forecasting and, in particular measuring and predicting short term climate change makes it important that we become accustomed to looking at variations on monthly and longer time scales. A convenient toll for researchers to familiarize themselves with the variability which occurs in selected parameters on these time scales is provided. The format of the document was chosen to help facilitate the intercomparison of various parameters and highlight the year-to-year variability in monthly means.

Short-time dynamics of lysozyme solutions with competing short-range attraction and long-range repulsion: Experiment and theory

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-quantitative predictions of diffusion properties and viscosity of solutions of globular proteins are possible given only the equilibrium structure factor of proteins. Furthermore, we explore the effects of changing the attraction strength on H(q) and η.

Characterization of material parameters for high speed forming and cutting via experiment and inverse simulation

NASA Astrophysics Data System (ADS)

Scheffler, Christian; Psyk, Verena; Linnemann, Maik; Tulke, Marc; Brosius, Alexander; Landgrebe, Dirk

2018-05-01

High speed velocity effects in production technology provide a broad range of technological and economic advantages [1, 2]. However, exploiting them necessitates the knowledge of strain rate dependent material behavior in process modelling. In general, high speed material data characterization features several difficulties and requires sophisticated approaches in order to provide reliable material data. This paper proposes two innovative concepts with electromagnetic and pneumatic drive and an approach for material characterization in terms of strain rate dependent flow curves and parameters of failure or damage models. The test setups have been designed for investigations of strain rates up to 105 s-1. In principle, knowledge about the temporary courses and local distributions of stress and strain in the specimen is essential for identifying material characteristics, but short process times, fast changes of the measurement values, small specimen size and frequently limited accessibility of the specimen during the test hinder directly measuring these parameters at high-velocity testing. Therefore, auxiliary test parameters, which are easier to measure, are recorded and used as input data for an inverse numerical simulation that provides the desired material characteristics, e.g. the Johnson-Cook parameters, as a result. These parameters are a force equivalent strain signal on a measurement body and the displacement of the upper specimen edge.

Phase diagrams and free-energy landscapes for model spin-crossover materials with antiferromagnetic-like nearest-neighbor and ferromagnetic-like long-range interactions

NASA Astrophysics Data System (ADS)

Chan, C. H.; Brown, G.; Rikvold, P. A.

2017-11-01

We present phase diagrams, free-energy landscapes, and order-parameter distributions for a model spin-crossover material with a two-step transition between the high-spin and low-spin states (a square-lattice Ising model with antiferromagnetic-like nearest-neighbor and ferromagnetic-like long-range interactions) [P. A. Rikvold et al., Phys. Rev. B 93, 064109 (2016), 10.1103/PhysRevB.93.064109]. The results are obtained by a recently introduced, macroscopically constrained Wang-Landau Monte Carlo simulation method [Phys. Rev. E 95, 053302 (2017), 10.1103/PhysRevE.95.053302]. The method's computational efficiency enables calculation of thermodynamic quantities for a wide range of temperatures, applied fields, and long-range interaction strengths. For long-range interactions of intermediate strength, tricritical points in the phase diagrams are replaced by pairs of critical end points and mean-field critical points that give rise to horn-shaped regions of metastability. The corresponding free-energy landscapes offer insights into the nature of asymmetric, multiple hysteresis loops that have been experimentally observed in spin-crossover materials characterized by competing short-range interactions and long-range elastic interactions.

Bulk and surface properties of liquid Al-Cr and Cr-Ni alloys.

PubMed

Novakovic, R

2011-06-15

The energetics of mixing and structural arrangement in liquid Al-Cr and Cr-Ni alloys has been analysed through the study of surface properties (surface tension and surface segregation), dynamic properties (chemical diffusion) and microscopic functions (concentration fluctuations in the long-wavelength limit and chemical short-range order parameter) in the framework of statistical mechanical theory in conjunction with quasi-lattice theory. The Al-Cr phase diagram exhibits the existence of different intermetallic compounds in the solid state, while that of Cr-Ni is a simple eutectic-type phase diagram at high temperatures and includes the low-temperature peritectoid reaction in the range near a CrNi(2) composition. Accordingly, the mixing behaviour in Al-Cr and Cr-Ni alloy melts was studied using the complex formation model in the weak interaction approximation and by postulating Al(8)Cr(5) and CrNi(2) chemical complexes, respectively, as energetically favoured.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Order parameters and synchronization of FitzHugh-Nagumo small-world networks

NASA Astrophysics Data System (ADS)

Li, Yan-Long; Ma, Jun; Zhang, Wei; Liu, Yan-Jun

2009-10-01

This paper numerically investigates the order parameter and synchronisation in the small world connected FitzHugh-Nagumo excitable systems. The simulations show that the order parameter continuously decreases with increasing D, the quality of the synchronisation worsens for large noise intensity. As the coupling intensity goes up, the quality of the synchronisation worsens, and it finds that the larger rewiring probability becomes the larger order parameter. It obtains the complete phase diagram for a wide range of values of noise intensity D and control parameter g.

Maximally random discrete-spin systems with symmetric and asymmetric interactions and maximally degenerate ordering

NASA Astrophysics Data System (ADS)

Atalay, Bora; Berker, A. Nihat

2018-05-01

Discrete-spin systems with maximally random nearest-neighbor interactions that can be symmetric or asymmetric, ferromagnetic or antiferromagnetic, including off-diagonal disorder, are studied, for the number of states q =3 ,4 in d dimensions. We use renormalization-group theory that is exact for hierarchical lattices and approximate (Migdal-Kadanoff) for hypercubic lattices. For all d >1 and all noninfinite temperatures, the system eventually renormalizes to a random single state, thus signaling q ×q degenerate ordering. Note that this is the maximally degenerate ordering. For high-temperature initial conditions, the system crosses over to this highly degenerate ordering only after spending many renormalization-group iterations near the disordered (infinite-temperature) fixed point. Thus, a temperature range of short-range disorder in the presence of long-range order is identified, as previously seen in underfrustrated Ising spin-glass systems. The entropy is calculated for all temperatures, behaves similarly for ferromagnetic and antiferromagnetic interactions, and shows a derivative maximum at the short-range disordering temperature. With a sharp immediate contrast of infinitesimally higher dimension 1 +ɛ , the system is as expected disordered at all temperatures for d =1 .

Spectral EEG Features of a Short Psycho-physiological Relaxation

NASA Astrophysics Data System (ADS)

Teplan, Michal; Krakovská, Anna; Špajdel, Marián

2014-08-01

Short-lasting psycho-physiological relaxation was investigated through an analysis of its bipolar electroencephalographic (EEG) characteristics. In 8 subjects, 6-channel EEG data of 3-minute duration were recorded during 88 relaxation sessions. Time course of spectral EEG features was examined. Alpha powers were decreasing during resting conditions of 3-minute sessions in lying position with eyes closed. This was followed by a decrease of total power in centro-parietal cortex regions and an increase of beta power in fronto-central areas. Represented by EEG coherences the interhemispheric communication between the parieto-occipital regions was enhanced within a frequency range of 2-10 Hz. In order to discern between higher and lower levels of relaxation distinguished according to self-rated satisfaction, EEG features were assessed and discriminating parameters were identified. Successful relaxation was determined mainly by the presence of decreased delta-1 power across the cortex. Potential applications for these findings include the clinical, pharmacological, and stress management fields.

Ultrasonic nonlinear guided wave inspection of microscopic damage in a composite structure

NASA Astrophysics Data System (ADS)

Zhang, Li; Borigo, Cody; Owens, Steven; Lissenden, Clifford; Rose, Joseph; Hakoda, Chris

2017-02-01

Sudden structural failure is a severe safety threat to many types of military and industrial composite structures. Because sudden structural failure may occur in a composite structure shortly after macroscale damage initiates, reliable early diagnosis of microdamage formation in the composite structure is critical to ensure safe operation and to reduce maintenance costs. Ultrasonic guided waves have been widely used for long-range defect detection in various structures. When guided waves are generated under certain excitation conditions, in addition to the traditional linear wave mode (known as the fundamental harmonic wave mode), a number of nonlinear higher-order harmonic wave modes are also be generated. Research shows that the nonlinear parameters of a higher-order harmonic wave mode could have excellent sensitivity to microstructural changes in a material. In this work, we successfully employed a nonlinear guided wave structural health monitoring (SHM) method to detect microscopic impact damage in a 32-layer carbon/epoxy fiber-reinforced composite plate. Our effort has demonstrated that, utilizing appropriate transducer design, equipment, excitation signals, and signal processing techniques, nonlinear guided wave parameter measurements can be reliably used to monitor microdamage initiation and growth in composite structures.

Universal relations for range corrections to Efimov features

DOE PAGES

Ji, Chen; Braaten, Eric; Phillips, Daniel R.; ...

2015-09-09

In a three-body system of identical bosons interacting through a large S-wave scattering length a, there are several sets of features related to the Efimov effect that are characterized by discrete scale invariance. Effective field theory was recently used to derive universal relations between these Efimov features that include the first-order correction due to a nonzero effective range r s. We reveal a simple pattern in these range corrections that had not been previously identified. The pattern is explained by the renormalization group for the effective field theory, which implies that the Efimov three-body parameter runs logarithmically with the momentummore » scale at a rate proportional to r s/a. The running Efimov parameter also explains the empirical observation that range corrections can be largely taken into account by shifting the Efimov parameter by an adjustable parameter divided by a. Furthermore, the accuracy of universal relations that include first-order range corrections is verified by comparing them with various theoretical calculations using models with nonzero range.« less

Numerical simulation for horizontal subsurface flow constructed wetlands: A short review including geothermal effects and solution bounding in biodegradation procedures

NASA Astrophysics Data System (ADS)

Liolios, K.; Tsihrintzis, V.; Angelidis, P.; Georgiev, K.; Georgiev, I.

2016-10-01

Current developments on modeling of groundwater flow and contaminant transport and removal in the porous media of Horizontal Subsurface Flow Constructed Wetlands (HSF CWs) are first reviewed in a short way. The two usual environmental engineering approaches, the black-box and the process-based one, are briefly presented. Next, recent research results obtained by using these two approaches are briefly discussed as application examples, where emphasis is given to the evaluation of the optimal design and operation parameters concerning HSF CWs. For the black-box approach, the use of Artificial Neural Networks is discussed for the formulation of models, which predict the removal performance of HSF CWs. A novel mathematical prove is presented, which concerns the dependence of the first-order removal coefficient on the Temperature and the Hydraulic Residence Time. For the process-based approach, an application example is first discussed which concerns procedures to evaluate the optimal range of values for the removal coefficient, dependent on either the Temperature or the Hydraulic Residence Time. This evaluation is based on simulating available experimental results of pilot-scale units operated in Democritus University of Thrace, Xanthi, Greece. Further, in a second example, a novel enlargement of the system of Partial Differential Equations is presented, in order to include geothermal effects. Finally, in a third example, the case of parameters uncertainty concerning biodegradation procedures is considered and the use of upper and a novel approach is presented, which concerns the upper and the lower solution bound for the practical draft design of HSF CWs.

Local suppression of the superfluid density of PuCoGa5 by strong onsite disorder

NASA Astrophysics Data System (ADS)

Das, Tanmoy; Zhu, Jian-Xin; Graf, Matthias J.

2011-10-01

We present superfluid density calculations for the unconventional superconductor PuCoGa5 by solving the real-space Bogoliubov-de Gennes equations on a square lattice within the Swiss-cheese model in the presence of strong onsite disorder. We find that, despite strong electronic inhomogeneity, one can establish a one-to-one correspondence between the local maps of the density of states, superconducting order parameter, and superfluid density. In this model, strong onsite impurity scattering punches localized holes into the fabric of d-wave superconductivity similar to a Swiss cheese. Already, a two-dimensional impurity concentration of nimp=4% gives rise to a pronounced short-range suppression of the order parameter and a suppression of the superconducting transition temperature Tc by roughly 20% compared to its pure limit value Tc0, whereas the superfluid density ρs is reduced drastically by about 70%. This result is consistent with available experimental data for aged (400-day-old) and fresh (25-day-old) PuCoGa5 superconducting samples. In addition, we show that the T2 dependence of the low-T superfluid density, a signature of dirty d-wave superconductivity, originates from a combined effect in the density of states of “gap filling” and “gap closing.” Finally, we demonstrate that the Uemuera plot of Tc versus ρs deviates sharply from the conventional Abrikosov-Gor’kov theory for radiation-induced defects in PuCoGa5, but follows the same trend of short-coherence-length high-Tc cuprate superconductors.

Physiological monitoring and control in hemodialysis: state of the art and outlook.

PubMed

Kraemer, Matthias

2006-09-01

Medical devices for monitoring and feedback control of physiological parameters of the dialysis patient were introduced in the early 1990s. They have a wide range of applications, aiming at increasing the safety and ensuring the efficiency of the treatment, and at an improved restoration of physiological conditions, leading to an overall reduction in morbidity and mortality. Such devices include sensors for the measurement of temperature, optical parameters and sound speed in blood, and electrical characteristics of the human body, and other parameters. Essential for the development of these devices is a detailed understanding of the pathophysiological background of a therapeutical problem. There is still a large potential to introduce new devices for further therapy improvement and automation. Also, the size of the hemodialysis market appears attractive; however, a new product has to meet several specific requirements in order to also become commercially successful. This review describes the therapeutic and technical principles of several available devices, reports on concepts for possible future devices, and presents a short overview on the market environment.

Constructing high-accuracy intermolecular potential energy surface with multi-dimension Morse/Long-Range model

NASA Astrophysics Data System (ADS)

Zhai, Yu; Li, Hui; Le Roy, Robert J.

2018-04-01

Spectroscopically accurate Potential Energy Surfaces (PESs) are fundamental for explaining and making predictions of the infrared and microwave spectra of van der Waals (vdW) complexes, and the model used for the potential energy function is critically important for providing accurate, robust and portable analytical PESs. The Morse/Long-Range (MLR) model has proved to be one of the most general, flexible and accurate one-dimensional (1D) model potentials, as it has physically meaningful parameters, is flexible, smooth and differentiable everywhere, to all orders and extrapolates sensibly at both long and short ranges. The Multi-Dimensional Morse/Long-Range (mdMLR) potential energy model described herein is based on that 1D MLR model, and has proved to be effective and accurate in the potentiology of various types of vdW complexes. In this paper, we review the current status of development of the mdMLR model and its application to vdW complexes. The future of the mdMLR model is also discussed. This review can serve as a tutorial for the construction of an mdMLR PES.

Inelastic deformation and phenomenological modeling of aluminum including transient effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, C.W.

A review was made of several phenomenological theories which have recently been proposed to describe the inelastic deformation of crystalline solids. Hart's deformation theory has many advantages, but there are disagreements with experimental deformation at stress levels below yield. A new inelastic deformation theory was proposed, introducing the concept of microplasticity. The new model consists of five deformation elements: a friction element representing a deformation element controlled by dislocation glide, a nonrecoverable plastic element representing the dislocation leakage rate over the strong dislocation barriers, a microplastic element representing the dislocation leakage rate over the weak barriers, a short range anelasticmore » spring element representing the recoverable anelastic strain stored by piled-up dislocations against the weak barriers, and a long range anelastic spring element representing the recoverable strain stored by piled-up dislocations against the strong barriers. Load relaxation and tensile testing in the plastic range were used to determine the material parameters for the plastic friction elements. The short range and long range anelastic moduli and the material parameters for the kinetics of microplasticity were determined by the measurement of anelastic loops and by performing load relaxation tests in the microplastic region. Experimental results were compared with a computer simulation of the transient deformation behavior of commercial purity aluminum. An attempt was made to correlate the material parameters and the microstructure from TEM. Stability of material parameters during inelastic deformation was discussed and effect of metallurgical variables was examined experimentally. 71 figures, 5 tables.« less

Suspended mid-infrared fiber-to-chip grating couplers for SiGe waveguides

NASA Astrophysics Data System (ADS)

Favreau, Julien; Durantin, Cédric; Fédéli, Jean-Marc; Boutami, Salim; Duan, Guang-Hua

2016-03-01

Silicon photonics has taken great importance owing to the applications in optical communications, ranging from short reach to long haul. Originally dedicated to telecom wavelengths, silicon photonics is heading toward circuits handling with a broader spectrum, especially in the short and mid-infrared (MIR) range. This trend is due to potential applications in chemical sensing, spectroscopy and defense in the 2-10 μm range. We previously reported the development of a MIR photonic platform based on buried SiGe/Si waveguide with propagation losses between 1 and 2 dB/cm. However the low index contrast of the platform makes the design of efficient grating couplers very challenging. In order to achieve a high fiber-to-chip efficiency, we propose a novel grating coupler structure, in which the grating is locally suspended in air. The grating has been designed with a FDTD software. To achieve high efficiency, suspended structure thicknesses have been jointly optimized with the grating parameters, namely the fill factor, the period and the grating etch depth. Using the Efficient Global Optimization (EGO) method we obtained a configuration where the fiber-to-waveguide efficiency is above 57 %. Moreover the optical transition between the suspended and the buried SiGe waveguide has been carefully designed by using an Eigenmode Expansion software. Transition efficiency as high as 86 % is achieved.

Dual origin of pairing in nuclei

NASA Astrophysics Data System (ADS)

Idini, A.; Potel, G.; Barranco, F.; Vigezzi, E.; Broglia, R. A.

2016-11-01

The pairing correlations of the nucleus 120Sn are calculated by solving the Nambu-Gor'kov equations, including medium polarization effects resulting from the interweaving of quasiparticles, spin and density vibrations, taking into account, within the framework of nuclear field theory (NFT), processes leading to self-energy and vertex corrections and to the induced pairing interaction. From these results one can not only demonstrate the inevitability of the dual origin of pairing in nuclei, but also extract information which can be used at profit to quantitatively disentangle the contributions to the pairing gap Δ arising from the bare and from the induced pairing interaction. The first is the strong 1 S 0 short-range NN potential resulting from meson exchange between nucleons moving in time reversal states within an energy range of hundreds of MeV from the Fermi energy. The second results from the exchange of vibrational modes between nucleons moving within few MeV from the Fermi energy. Short- ( v p bare) and long-range ( v p ind) pairing interactions contribute essentially equally to nuclear Cooper pair stability. That is to the breaking of gauge invariance in open-shell superfluid nuclei and thus to the order parameter, namely to the ground state expectation value of the pair creation operator. In other words, to the emergent property of generalized rigidity in gauge space, and associated rotational bands and Cooper pair tunneling between members of these bands.

Local chiral potentials with Δ -intermediate states and the structure of light nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Piarulli, M.; Girlanda, L.; Schiavilla, R.

We present fully local versions of the minimally non-local nucleon-nucleon potentials constructed in a previous paper [M. Piarulli et al., Phys. Rev. C 91, 024003 (2015)], and use them in hypersperical-harmonics and quantum Monte Carlo calculations of ground and excited states of 3H, 3He, 4He, 6He, and 6Li nuclei. The long-range part of these local potentials includes oneand two-pion exchange contributions without and with Δ isobars in the intermediate states up to order Q3 (Q denotes generically the low momentum scale) in the chiral expansion, while the short-range part consists of contact interactions up to order Q4. The low-energy constantsmore » multiplying these contact interactions are fitted to the 2013 Granada database in two different ranges of laboratory energies, either 0–125 MeV or 0–200 MeV, and to the deuteron binding energy and nn singlet scattering length. Fits to these data are performed for three models characterized by long- and short-range cutoffs, RL and RS respectively, ranging from (RL,RS) = (1.2, 0.8) fm down to (0.8, 0.6) fm. The long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.« less

A new impedance accounting for short- and long-range effects in mixed substructured formulations of nonlinear problems

NASA Astrophysics Data System (ADS)

Negrello, Camille; Gosselet, Pierre; Rey, Christian

2018-05-01

An efficient method for solving large nonlinear problems combines Newton solvers and Domain Decomposition Methods (DDM). In the DDM framework, the boundary conditions can be chosen to be primal, dual or mixed. The mixed approach presents the advantage to be eligible for the research of an optimal interface parameter (often called impedance) which can increase the convergence rate. The optimal value for this parameter is often too expensive to be computed exactly in practice: an approximate version has to be sought for, along with a compromise between efficiency and computational cost. In the context of parallel algorithms for solving nonlinear structural mechanical problems, we propose a new heuristic for the impedance which combines short and long range effects at a low computational cost.

The reduction of takeoff ground roll by the application of a nose gear jump strut

NASA Technical Reports Server (NTRS)

Eppel, Joseph C.; Maisel, Martin D.; Mcclain, J. Greer; Luce, W.

1994-01-01

A series of flight tests were conducted to evaluate the reduction of takeoff ground roll distance obtainable from a rapid extension of the nose gear strut. The NASA Quiet Short-haul Research Aircraft (QSRA) used for this investigation is a transport-size short take off and landing (STOL) research vehicle with a slightly swept wing that employs the upper surface blowing (USB) concept to attain the high lift levels required for its low-speed, short-field performance. Minor modifications to the conventional nose gear assembly and the addition of a high-pressure pneumatic system and a control system provided the extendable nose gear, or jump strut, capability. The limited flight test program explored the effects of thrust-to-weight ratio, wing loading, storage tank initial pressure, and control valve open time duration on the ground roll distance. The data show that a reduction of takeoff ground roll on the order of 10 percent was achieved with the use of the jump strut, as predicted. Takeoff performance with the jump strut was also found to be essentially independent of the pneumatic supply pressure and was only slightly affected by control valve open time within the range of the parameters examined.

Flight investigation of the use of a nose gear jump strut to reduce takeoff ground roll distance of STOL aircraft

NASA Technical Reports Server (NTRS)

Eppel, Joseph C.; Hardy, Gordon; Martin, James L.

1994-01-01

A series of flight tests was conducted to evaluate the reduction of takeoff ground roll distance obtainable from a rapid extension of the nose gear strut. The NASA Quiet Short-haul Research Aircraft (QSRA) used for this investigation is a transport-size short takeoff and landing (STOL) research vehicle with a slightly swept wing that employs the upper surface blowing (USB) concept to attain the high lift levels required for its low speed, short-field performance. Minor modifications to the conventional nose gear assembly and the addition of a high pressure pneumatic system and a control system provided the extendible nose gear, or 'jump strut,' capability. The limited flight test program explored the effects of thrust-to-weight ratio, storage tank initial pressure, and control valve open time duration on the ground roll distance. The data show that the predicted reduction of takeoff ground roll on the order of 10 percent was achieved with the use of the jump strut. Takeoff performance with the jump strut was also found to be essentially independent of the pneumatic supply pressure and was only slightly affected by control valve open time within the range of the parameters examined.

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

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.

Lag-One Autocorrelation in Short Series: Estimation and Hypotheses Testing

ERIC Educational Resources Information Center

Solanas, Antonio; Manolov, Rumen; Sierra, Vicenta

2010-01-01

In the first part of the study, nine estimators of the first-order autoregressive parameter are reviewed and a new estimator is proposed. The relationships and discrepancies between the estimators are discussed in order to achieve a clear differentiation. In the second part of the study, the precision in the estimation of autocorrelation is…

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.

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 .

Outdoor ground impedance models.

PubMed

Attenborough, Keith; Bashir, Imran; Taherzadeh, Shahram

2011-05-01

Many models for the acoustical properties of rigid-porous media require knowledge of parameter values that are not available for outdoor ground surfaces. The relationship used between tortuosity and porosity for stacked spheres results in five characteristic impedance models that require not more than two adjustable parameters. These models and hard-backed-layer versions are considered further through numerical fitting of 42 short range level difference spectra measured over various ground surfaces. For all but eight sites, slit-pore, phenomenological and variable porosity models yield lower fitting errors than those given by the widely used one-parameter semi-empirical model. Data for 12 of 26 grassland sites and for three beech wood sites are fitted better by hard-backed-layer models. Parameter values obtained by fitting slit-pore and phenomenological models to data for relatively low flow resistivity grounds, such as forest floors, porous asphalt, and gravel, are consistent with values that have been obtained non-acoustically. Three impedance models yield reasonable fits to a narrow band excess attenuation spectrum measured at short range over railway ballast but, if extended reaction is taken into account, the hard-backed-layer version of the slit-pore model gives the most reasonable parameter values.

Excellence of numerical differentiation method in calculating the coefficients of high temperature series expansion of the free energy and convergence problem of the expansion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, S., E-mail: chixiayzsq@yahoo.com; Solana, J. R.

2014-12-28

In this paper, it is shown that the numerical differentiation method in performing the coupling parameter series expansion [S. Zhou, J. Chem. Phys. 125, 144518 (2006); AIP Adv. 1, 040703 (2011)] excels at calculating the coefficients a{sub i} of hard sphere high temperature series expansion (HS-HTSE) of the free energy. Both canonical ensemble and isothermal-isobaric ensemble Monte Carlo simulations for fluid interacting through a hard sphere attractive Yukawa (HSAY) potential with extremely short ranges and at very low temperatures are performed, and the resulting two sets of data of thermodynamic properties are in excellent agreement with each other, and wellmore » qualified to be used for assessing convergence of the HS-HTSE for the HSAY fluid. Results of valuation are that (i) by referring to the results of a hard sphere square well fluid [S. Zhou, J. Chem. Phys. 139, 124111 (2013)], it is found that existence of partial sum limit of the high temperature series expansion series and consistency between the limit value and the true solution depend on both the potential shapes and temperatures considered. (ii) For the extremely short range HSAY potential, the HS-HTSE coefficients a{sub i} falls rapidly with the order i, and the HS-HTSE converges from fourth order; however, it does not converge exactly to the true solution at reduced temperatures lower than 0.5, wherein difference between the partial sum limit of the HS-HTSE series and the simulation result tends to become more evident. Something worth mentioning is that before the convergence order is reached, the preceding truncation is always improved by the succeeding one, and the fourth- and higher-order truncations give the most dependable and qualitatively always correct thermodynamic results for the HSAY fluid even at low reduced temperatures to 0.25.« less

Macroscopically constrained Wang-Landau method for systems with multiple order parameters and its application to drawing complex phase diagrams

NASA Astrophysics Data System (ADS)

Chan, C. H.; Brown, G.; Rikvold, P. A.

2017-05-01

A generalized approach to Wang-Landau simulations, macroscopically constrained Wang-Landau, is proposed to simulate the density of states of a system with multiple macroscopic order parameters. The method breaks a multidimensional random-walk process in phase space into many separate, one-dimensional random-walk processes in well-defined subspaces. Each of these random walks is constrained to a different set of values of the macroscopic order parameters. When the multivariable density of states is obtained for one set of values of fieldlike model parameters, the density of states for any other values of these parameters can be obtained by a simple transformation of the total system energy. All thermodynamic quantities of the system can then be rapidly calculated at any point in the phase diagram. We demonstrate how to use the multivariable density of states to draw the phase diagram, as well as order-parameter probability distributions at specific phase points, for a model spin-crossover material: an antiferromagnetic Ising model with ferromagnetic long-range interactions. The fieldlike parameters in this model are an effective magnetic field and the strength of the long-range interaction.

On the Origin of Charge Order in RuCl3

NASA Astrophysics Data System (ADS)

Berlijn, Tom

RuCl3 has been proposed to be a spin-orbit assisted Mott insulator close to the Kitaev-spin-liquid ground state, an exotic state of matter that could protect information in quantum computers. Recent STM experiments [M. Ziatdinov et al, Nature Communications (in press)] however, show the presence of a puzzling short-range charge order in this quasi two dimensional material. Understanding the nature of this charge order may provide a pathway towards tuning RuCl3 into the Kitaev-spin-liquid ground state. Based on first principles calculations I investigate the possibility that the observed charge order is caused by a combination of short-range magnetic correlations and strong spin-orbit coupling. From a general perspective such a mechanism could offer the exciting possibility of probing local magnetic correlations with standard STM. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.

Scheimpflug image-based changes in anterior segment parameters during accommodation induced by short-term reading.

PubMed

Lipecz, Agnes; Tsorbatzoglou, Alexis; Hassan, Ziad; Berta, Andras; Modis, Laszlo; Nemeth, Gabor

2017-05-11

To analyze the effect of the accommodation on the anterior segment data (corneal and anterior chamber parameters) induced by short-time reading in a healthy, nonpresbyopic adult patient group. Images of both eyes of nonpresbyopic volunteers were captured with a Scheimpflug device (Pentacam HR) in a nonaccommodative state. Fifteen minutes of reading followed and through fixation of the built-in target of Pentacam HR further accommodation was achieved and new images were captured by the device. Anterior segment parameters were observed and the differences were analyzed. Fifty-two healthy eyes of 26 subjects (range 20.04-28.58 years) were analyzed. No significant differences were observed in the keratometric values before and after the accommodative task (p = 0.35). A statistically significant difference was measured in the 5.0-mm-diameter and the 7.0-mm-diameter corneal volume (p = 0.01 and p = 0.03) between accommodation states. Corneal aberrometric data did not change significantly during short-term accommodation. Significant differences were observed between nonaccommodative and accommodative states of the eyes for all measured anterior chamber parameters. Among the parameters of the cornea, only corneal volume changed during the short-term accommodation process, showing some fine changes with accommodation of the cornea in young, emmetropic patients. The position of the pupil and the anterior chamber parameters were observed to change with accommodation as captured by a Scheimpflug device.

Propofol or benzodiazepines for short- and long-term sedation in intensive care units? An economic evaluation based on meta-analytic results

PubMed Central

Pradelli, Lorenzo; Povero, Massimiliano; Bürkle, Hartmut; Kampmeier, Tim-Gerald; Della-Rocca, Giorgio; Feuersenger, Astrid; Baron, Jean-Francois; Westphal, Martin

2017-01-01

Purpose This evaluation compares propofol and benzodiazepine sedation for mechanically ventilated patients in intensive care units (ICUs) in order to identify the potential economic benefits from different payers’ perspectives. Methods The patient-level simulation model incorporated efficacy estimates from a structured meta-analysis and ICU-related costs from Italy, Germany, France, UK, and the USA. Efficacy outcomes were ICU length of stay (LOS), mechanical ventilation duration, and weaning time. We calculated ICU costs from mechanical ventilation duration and ICU LOS based on national average ICU costs with and without mechanical ventilation. Three scenarios were investigated: 1) long-term sedation >24 hours based on results from randomized controlled trials (RCTs); 2) long-term sedation based on RCT plus non-RCT results; and 3) short-term sedation <24 hours based on RCT results. We tested the model’s robustness for input uncertainties by deterministic (DSA) and probabilistic sensitivity analyses (PSA). Results In the base case, mean savings with propofol versus benzodiazepines in long-term sedation ranged from €406 (95% confidence interval [CI]: 646 to 164) in Italy to 1,632 € (95% CI: 2,362 to 880) in the USA. Inclusion of non-RCT data corroborated these results. Savings in short-term sedation ranged from €148 (95% CI: 291 to 2) in Italy to €502 (95% CI: 936 to 57) in the USA. Parameters related to ICU and mechanical ventilation had a stronger influence in the DSA than drug-related parameters. In PSA, propofol reduced costs and ICU LOS compared to benzodiazepines in 94%–100% of simulations. The largest savings may be possible in the UK and the USA due to higher ICU costs. Conclusion Current ICU sedation guidelines recommend propofol rather than midazolam for mechanically ventilated patients. This evaluation endorses the recommendation as it may lead to better outcomes and savings for health care systems, especially in countries with higher ICU-related costs. PMID:29184423

Order of wetting transitions in electrolyte solutions.

PubMed

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.

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).

ICESAT Laser Altimeter Pointing, Ranging and Timing Calibration from Integrated Residual Analysis

NASA Technical Reports Server (NTRS)

Luthcke, Scott B.; Rowlands, D. D.; Carabajal, C. C.; Harding, D. H.; Bufton, J. L.; Williams, T. A.

2003-01-01

On January 12, 2003 the Ice, Cloud and land Elevation Satellite (ICESat) was successfully placed into orbit. The ICESat mission carries the Geoscience Laser Altimeter System (GLAS), which has a primary measurement of short-pulse laser- ranging to the Earth s surface at 1064nm wavelength at a rate of 40 pulses per second. The instrument has collected precise elevation measurements of the ice sheets, sea ice roughness and thickness, ocean and land surface elevations and surface reflectivity. The accurate geolocation of GLAS s surface returns, the spots from which the laser energy reflects on the Earth s surface, is a critical issue in the scientific application of these data. Pointing, ranging, timing and orbit errors must be compensated to accurately geolocate the laser altimeter surface returns. Towards this end, the laser range observations can be fully exploited in an integrated residual analysis to accurately calibrate these geolocation/instrument parameters. ICESat laser altimeter data have been simultaneously processed as direct altimetry from ocean sweeps along with dynamic crossovers in order to calibrate pointing, ranging and timing. The calibration methodology and current calibration results are discussed along with future efforts.

Low-field induced large magnetocaloric effect in Tm2Ni0.93Si2.93: influence of short-range magnetic correlation

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.

Plasma synthesis and HPHT consolidation of BN nanoparticles, nanospheres, and nanotubes to produce nanocrystalline cubic boron nitride

NASA Astrophysics Data System (ADS)

Stout, Christopher

Plasma methods offer a variety of advantages to nanomaterials synthesis. The process is robust, allowing varying particle sizes and phases to be generated simply by modifying key parameters. The work here demonstrates a novel approach to nanopowder synthesis using inductively-coupled plasma to decompose precursor, which are then quenched to produce a variety of boron nitride (BN)-phase nanoparticles, including cubic phase, along with short-range-order nanospheres (e.g., nano-onions) and BN nanotubes. Cubic BN (c-BN) powders can be generated through direct deposition onto a chilled substrate. The extremely-high pyrolysis temperatures afforded by the equilibrium plasma offer a unique particle growth environment, accommodating long deposition times while exposing resulting powders to temperatures in excess of 5000K without any additional particle nucleation and growth. Such conditions can yield short-range ordered amorphous BN structures in the form of 20nm diameter nanospheres. Finally, when introducing a rapid-quenching counter-flow gas against the plasma jet, high aspect ratio nanotubes are synthesized, which are collected on substrate situated radially. The benefits of these morphologies are also evident in high-pressure/high-temperature consolidation experiments, where nanoparticle phases can offer a favorable conversion route to super-hard c-BN while maintaining nanocrystallinity. Experiments using these morphologies are shown to begin to yield c-BN conversion at conditions as low as 2.0 GPa and 1500°C when using micron sized c-BN seeding to create localized regions of high pressures due to Hertzian forces acting on the nanoparticles.

Numerical experiments on short-term meteorological effects on solar variability

NASA Technical Reports Server (NTRS)

Somerville, R. C. J.; Hansen, J. E.; Stone, P. H.; Quirk, W. J.; Lacis, A. A.

1975-01-01

A set of numerical experiments was conducted to test the short-range sensitivity of a large atmospheric general circulation model to changes in solar constant and ozone amount. On the basis of the results of 12-day sets of integrations with very large variations in these parameters, it is concluded that realistic variations would produce insignificant meteorological effects. Any causal relationships between solar variability and weather, for time scales of two weeks or less, rely upon changes in parameters other than solar constant or ozone amounts, or upon mechanisms not yet incorporated in the model.

Curvature aided long range propagation of short laser pulses in the atmosphere

NASA Astrophysics Data System (ADS)

Yedierler, Burak

2013-03-01

The pre-filamentation regime of propagation of a short and intense laser pulse in the atmosphere is considered. Spatiotemporal self-focusing dynamics of the laser beam are investigated by calculating the coupled differential equations for spot size, pulse length, phase, curvature, and chirp functions of a Gaussian laser pulse via a variational technique. The effect of initial curvature parameter on the propagation of the laser pulse is taken into consideration. A method relying on the adjustment of the initial curvature parameter can expand the filamentation distance of a laser beam of given power and chirp is proposed.

Understanding physicochemical properties changes from multi-scale structures of starch/CNT nanocomposite films.

PubMed

Liu, Siyuan; Li, Xiaoxi; Chen, Ling; Li, Lin; Li, Bing; Zhu, Jie

2017-11-01

From the view of multi-scale structures of hydroxypropyl starch (HPS)/carbon nanotube (CNT) nanocomposite films, the film physicochemical properties were affected by comprehensive factors including molecular interaction, short range molecular conformation, crystalline structure and aggregated structure. The less original HPS hydrogen bonding that was broken, less decreased order of HPS short range molecular conformation, lower film crystallinity and larger size of micro-ordered regions contributed to higher tensile strength and Young's modulus of the film with CNT content of 0.5% (g/g, CNT in HPS). The higher film overall crystallinity and larger size of micro-ordered regions of the film with CNT content of 0.05%-0.3% compared with those of control contributed to better film barrier property. The addition of CNT with the content of 0.05%-0.5% broke the original HPS hydrogen bonding and decreased the order of starch short range molecular conformation, which counteracted the positive effect of CNT on the thermal stability of the material, thus thermal degradation temperature of these nanocomposite films did not increase. But the sharp increase of film crystallinity increased film thermal degradation temperature. This study provided a better understanding of film physicochemical properties changes which guides to rational design of starch-based nanocomposite films for packaging and coating application. Copyright © 2017. Published by Elsevier B.V.

Space Technology Demonstrations Using Low Cost, Short-Schedule Airborne and Range Facilities at the Dryden Flight Research Center

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.

Isotopic Randomness and Maxwell's Demon

NASA Astrophysics Data System (ADS)

Berezin, Alexander A.

2005-03-01

Isotopic disorder in crystals can lead to suppression of thermal conductivity, mobility variations and (weak) Anderson localization on isotopic fluctuations. The latter (AAB, J.ChemPhys.1984) is akin to polaron effect (self-localization due polarization). Possibility of isotopic patterning (IP) increases near melting point (thermally activated isotopic hopping swaps). Crystal near melting threshold become “informationally sensitive” as if its IP is operated by some external Maxwell’s Demon, MD (AAB, URAM J, 2002). At this state short range (e.g. electrostatic inverse square) forces evolve into long-range interactions (due to divergence of order parameter) and information sensitivity can be further amplified by (say) a single fast electron (e.g. beta-particle from decay of 14-C or other radioactive isotope) which may result in cascade of impact ionization events and (short time-scale) enhancement of screening by impact-generated non-equilibrium (non-thermal) electrons. In this state informationally driven (MD-controlled) IP (Eccles effect) can result in decrease of positional entropy signifying emergence of physical complexity out of pure information, similar to peculiar “jinni effect” on closed time loops in relativistic cosmology (R.J.Gott, 2001) or Wheeler’s “it from bit” metaphor. By selecting special IP, MD modifies ergodicity principle in favor of info rich states.

Basic research for the Earth dynamics program

NASA Technical Reports Server (NTRS)

Mueller, I. I.

1981-01-01

A comparison of data from Project MERIT Short Campaign is presented. The time delay weight matrix in VLBI geodetic parameter estimation was investigated. The utilization of range difference observations in geodynamics is discussed.

Three-Dimensional ISAR Imaging Method for High-Speed Targets in Short-Range Using Impulse Radar Based on SIMO Array.

PubMed

Zhou, Xinpeng; Wei, Guohua; Wu, Siliang; Wang, Dawei

2016-03-11

This paper proposes a three-dimensional inverse synthetic aperture radar (ISAR) imaging method for high-speed targets in short-range using an impulse radar. According to the requirements for high-speed target measurement in short-range, this paper establishes the single-input multiple-output (SIMO) antenna array, and further proposes a missile motion parameter estimation method based on impulse radar. By analyzing the motion geometry relationship of the warhead scattering center after translational compensation, this paper derives the receiving antenna position and the time delay after translational compensation, and thus overcomes the shortcomings of conventional translational compensation methods. By analyzing the motion characteristics of the missile, this paper estimates the missile's rotation angle and the rotation matrix by establishing a new coordinate system. Simulation results validate the performance of the proposed algorithm.

Short-term effects of fertility management under organic farming in Mediterranean region on soil properties and tomato production

NASA Astrophysics Data System (ADS)

Cavoski, Ivana; Chami, Ziad Al; Jarrar, Mohammad; Dumontet, Stefano; Mondelli, Donato

2014-05-01

In organic farming, plant production depends almost exclusively on nutrient deriving from the decomposition of exogenous organic matter in soil which is able to provide significant quantities of several important nutrients for the plant growth. However, in the soil the timing and amount of mineralization often does not coincide with crop nutritional need, making in-season fertilization necessary. The Regulation (EC) No 889/2008 on organic farming standards recognizes these needs and allows the use of a limited range fertilizers and soil conditioners (inputs) in order to meet nutritional needs of the plants and to achieve short term economically viable yield. Short-term open field experiment was conducted at the Mediterranean Agronomic Institute of Bari (MAIB) located in Apulia region (Southern Italy) in order study the effects of different fertilization scenarios based on equilibrated nutritional requirement on tomato (Lycopersicon esculentum Mill, cv. San Marzano) production efficiency and soil chemical properties. In soil dressing phase, three months before planting, biochar (BCH), organic fertilizers (OF), combined treatment (BCH+OF), cattle manure and vineyard wood compost (MVC), dairy wastes industry and vineyard wood compost (DVC) and unamended soil as control (CON) were established. In the pre-crop phase, organic and/or mineral fertilizers were incorporated into the previous treatments except CON and BCH in order to achieve balanced N, P and K application rates for tomato plants. Different fertilization scenarios significantly increased the yields over CON and BCH treatments, maintaining fruits quality. In short period of time, most of the soil parameters remained invariable, only available phosphorus significantly increased in the treatments which received organic fertilizers maybe due to the slight reduction in soil pH. However, such results are not surprising, if we consider the quantity of amendments and fertilizers applied in the experiment, as well as a short term study. Future research needs to address the scope for increasing nutrient use efficiency and monitoring of soil nutrient pools in long term studies. Keywords: organic farming, fertility management, tomato crop, Biochar

A hydrodynamic mechanism for spontaneous formation of ordered drop arrays in confined shear flow

NASA Astrophysics Data System (ADS)

Singha, Sagnik; Zurita-Gotor, Mauricio; Loewenberg, Michael; Migler, Kalman; Blawzdziewicz, Jerzy

2017-11-01

It has been experimentally demonstrated that a drop monolayer driven by a confined shear flow in a Couette device can spontaneously arrange into a flow-oriented parallel chain microstructure. However, the hydrodynamic mechanism of this puzzling self-assembly phenomenon has so far eluded explanation. In a recent publication we suggested that the observed spontaneous drop ordering may arise from hydrodynamic interparticle interactions via a far-field quadrupolar Hele-Shaw flow associated with drop deformation. To verify this conjecture we have developed a simple numerical-simulation model that includes the far-field Hele-Shaw flow quadrupoles and a near-field short-range repulsion. Our simulations show that an initially disordered particle configuration self-organizes into a system of particle chains, similar to the experimentally observed drop-chain structures. The initial stage of chain formation is fast; subsequently, microstructural defects in a partially ordered system are removed by slow annealing, leading to an array of equally spaced parallel chains with a small number of defects. The microstructure evolution is analyzed using angular and spatial order parameters and correlation functions. Supported by NSF Grants No. CBET 1603627 and CBET 1603806.

Unconventional Superconductivity in Luttinger Semimetals: Theory of Complex Tensor Order and the Emergence of the Uniaxial Nematic State

NASA Astrophysics Data System (ADS)

Boettcher, Igor; Herbut, Igor F.

2018-02-01

We investigate unconventional superconductivity in three-dimensional electronic systems with the chemical potential close to a quadratic band touching point in the band dispersion. Short-range interactions can lead to d -wave superconductivity, described by a complex tensor order parameter. We elucidate the general structure of the corresponding Ginzburg-Landau free energy and apply these concepts to the case of an isotropic band touching point. For a vanishing chemical potential, the ground state of the system is given by the superconductor analogue of the uniaxial nematic state, which features line nodes in the excitation spectrum of quasiparticles. In contrast to the theory of real tensor order in liquid crystals, however, the ground state is selected here by the sextic terms in the free energy. At a finite chemical potential, the nematic state has an additional instability at weak coupling and low temperatures. In particular, the one-loop coefficients in the free energy indicate that at weak coupling genuinely complex orders, which break time-reversal symmetry, are energetically favored. We relate our analysis to recent measurements in the half-Heusler compound YPtBi and discuss the role of cubic crystal symmetry.

Concentration Waves in High-Entropy Alloys - a new alloy design approach

NASA Astrophysics Data System (ADS)

Singh, Prashant; Johnson, Duane D.

2015-03-01

Chemical short-range order (SRO) in solid solutions can be interpreted as a ``concentration wave'' - a Fourier decomposition of nascent order - identified experimentally via Warren-Cowley SRO parameters. We present a rigorous thermodynamic theory to predict and uniquely interpret the SRO in N -component alloys. Based on KKR-CPA electronic structure, we implemented this method using thermodynamic linear-response to include all alloying effects, e.g., band-filling, hybridization, Fermi -surface nesting and van Hove instabilities. We apply this first-principles method to high-entropy alloys (HEAs), i.e., solid solutions with N >4 that inhibit small-cell order due to large entropy competing against ordering enthalpy, as their properties are sensitive to SRO. We validated theory with comparison to experiments in A2 Nb-Al-Ti and A1 Cu-Ni-Zn . We then predict and analyze SRO and mechanical trends in Ni-Ti-Zr-Cu-Al and Co-Cr-Fe-Mn-Ni systems - showcasing this new first-principles-based alloy design method. Work was supported by the USDoE, Office of Sci., Basic Energy Sci., Materials Sci. and Eng. Division for `Materials Discovery.' Research was performed at Ames Lab, operated by Iowa State University under Contract #DE-AC02-07CH11358.

Short-Time Dynamics of the Random n-Vector Model

NASA Astrophysics Data System (ADS)

Chen, Yuan; Li, Zhi-Bing; Fang, Hai; He, Shun-Shan; Situ, Shu-Ping

2001-11-01

Short-time critical behavior of the random n-vector model is studied by the theoretic renormalization-group approach. Asymptotic scaling laws are studied in a frame of the expansion in ɛ=4-d for n≠1 and {√ɛ} for n=1 respectively. In d<4, the initial slip exponents θ‧ for the order parameter and θ for the response function are calculated up to the second order in ɛ=4-d for n≠1 and {√ɛ} for n=1 at the random fixed point respectively. Our results show that the random impurities exert a strong influence on the short-time dynamics for d<4 and n

Effect of sub-Tg annealing on CuZr and AlSm glasses: A molecular dynamics study

NASA Astrophysics Data System (ADS)

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

Cu65Zr35 and Al90Sm10 glasses, which represent strong and marginal binary metallic glass formers, respectively, were developed with a sub-Tg annealing method using Molecular Dynamics simulations. The short-range order (SRO) in both systems was characterized based on the concept of ``crystal gene'' that we established recently. Furthermore, we found that while the local clusters representing the dominant short-range order form an ever-more pronounced interpenetrating network with slower cooling rates in Cu65Zr35 glasses, the interpenetration of SRO in Al90Sm10 glasses only shows a weak dependence on the cooling rate. This clear difference in the connectivity of the SRO, which can characterize the medium-range order (MRO), could contribute to the different glass forming abilities of both systems. Work at Ames Laboratory was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division, under Contract No. DE-AC02-07CH11358.

Evidence for short-range magnetic order in the nematic phase of FeSe from anisotropic in-plane magnetostriction and susceptibility measurements

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.

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory.

PubMed

Stoyanova, Alexandrina; Teale, Andrew M; Toulouse, Julien; Helgaker, Trygve; Fromager, Emmanuel

2013-10-07

The alternative separation of exchange and correlation energies proposed by Toulouse et al. [Theor. Chem. Acc. 114, 305 (2005)] is explored in the context of multi-configuration range-separated density-functional theory. The new decomposition of the short-range exchange-correlation energy relies on the auxiliary long-range interacting wavefunction rather than the Kohn-Sham (KS) determinant. The advantage, relative to the traditional KS decomposition, is that the wavefunction part of the energy is now computed with the regular (fully interacting) Hamiltonian. One potential drawback is that, because of double counting, the wavefunction used to compute the energy cannot be obtained by minimizing the energy expression with respect to the wavefunction parameters. The problem is overcome by using short-range optimized effective potentials (OEPs). The resulting combination of OEP techniques with wavefunction theory has been investigated in this work, at the Hartree-Fock (HF) and multi-configuration self-consistent-field (MCSCF) levels. In the HF case, an analytical expression for the energy gradient has been derived and implemented. Calculations have been performed within the short-range local density approximation on H2, N2, Li2, and H2O. Significant improvements in binding energies are obtained with the new decomposition of the short-range energy. The importance of optimizing the short-range OEP at the MCSCF level when static correlation becomes significant has also been demonstrated for H2, using a finite-difference gradient. The implementation of the analytical gradient for MCSCF wavefunctions is currently in progress.

Local chiral potentials with Δ -intermediate states and the structure of light nuclei

DOE PAGES

Piarulli, M.; Girlanda, L.; Schiavilla, R.; ...

2016-11-28

In this paper, we present fully local versions of the minimally nonlocal nucleon-nucleon potentials constructed in a previous paper [Piarulli et al., Phys. Rev. C 91, 024003 (2015)], and use them in hypersperical harmonics and quantum Monte Carlo calculations of ground and excited states ofmore » $^3$H, $^3$He, $^4$He, $^6$He, and $^6$Li nuclei. The long-range part of these local potentials includes one- and two-pion exchange contributions without and with $$\\Delta$$-isobars in the intermediate states up to order $Q^3$ ($Q$ denotes generically the low momentum scale) in the chiral expansion, while the short-range part consists of contact interactions up to order $Q^4$. The low-energy constants multiplying these contact interactions are fitted to the 2013 Granada database in two different ranges of laboratory energies, either 0–125 MeV or 0–200 MeV, and to the deuteron binding energy and $nn$ singlet scattering length. Fits to these data are performed for three models characterized by long- and short-range cutoffs, $$R_{\\rm L}$$ and $$R_{\\rm S}$$, respectively, ranging from $$(R_{\\rm L},R_{\\rm S})=(1.2,0.8)$$ fm down to $(0.8,0.6)$ fm. Finally, the long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.« less

Local chiral potentials with Δ -intermediate states and the structure of light nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Piarulli, M.; Girlanda, L.; Schiavilla, R.

In this paper, we present fully local versions of the minimally nonlocal nucleon-nucleon potentials constructed in a previous paper [Piarulli et al., Phys. Rev. C 91, 024003 (2015)], and use them in hypersperical harmonics and quantum Monte Carlo calculations of ground and excited states ofmore » $^3$H, $^3$He, $^4$He, $^6$He, and $^6$Li nuclei. The long-range part of these local potentials includes one- and two-pion exchange contributions without and with $$\\Delta$$-isobars in the intermediate states up to order $Q^3$ ($Q$ denotes generically the low momentum scale) in the chiral expansion, while the short-range part consists of contact interactions up to order $Q^4$. The low-energy constants multiplying these contact interactions are fitted to the 2013 Granada database in two different ranges of laboratory energies, either 0–125 MeV or 0–200 MeV, and to the deuteron binding energy and $nn$ singlet scattering length. Fits to these data are performed for three models characterized by long- and short-range cutoffs, $$R_{\\rm L}$$ and $$R_{\\rm S}$$, respectively, ranging from $$(R_{\\rm L},R_{\\rm S})=(1.2,0.8)$$ fm down to $(0.8,0.6)$ fm. Finally, the long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.« less

Modeling of UV laser-induced patterning of ultrathin Co films on bulk SiO2: verification of short- and long-range ordering mechanisms

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.

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.

K-shell Photoabsorption of Oxygen Ions

NASA Technical Reports Server (NTRS)

Garcia, J.; Mendoza, C.; Bautista, M. A.; Gorczyca, T. W.; Kallman, T. R.; Palmeri, P.

2005-01-01

The high spectral resolutions of the Chandra and XMM-Newton X-ray observatories have unveiled the useful diagnostic possibilities of oxygen K absorption. To mention a few, strong O VII and O VIII edges are almost ubiquitous in the spectra of Seyfert 1 galaxies which have been used by Lee et al. (2001) to predict of a warm dust absorber along the line of sight; although this conclusion has been criticized in the light of a data reanalysis (SA0 et al. 2003), Steenbrugge et al. (2003) have detected inner-shell transitions of O III-O VI in the spectrum of NGC 5548 that point to a warm absorber that spans three orders of magnitude in ionization parameter. Moreover, Behar et al. (2003) have stressed that, in the case of both Seyfert 1 and Seyfert 2 galaxies, a broad range of oxygen charge states are usually observed along the line of sight that must be fitted simultaneously, and may imply strong density gradients of 2-4 orders of magnitude over short distances.

ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mardirossian, Narbe; Head-Gordon, Martin

2013-12-18

A 10-parameter, range-separated hybrid (RSH), generalized gradient approximation (GGA) density functional with nonlocal correlation (VV10) is presented in this paper. Instead of truncating the B97-type power series inhomogeneity correction factors (ICF) for the exchange, same-spin correlation, and opposite-spin correlation functionals uniformly, all 16 383 combinations of the linear parameters up to fourth order (m = 4) are considered. These functionals are individually fit to a training set and the resulting parameters are validated on a primary test set in order to identify the 3 optimal ICF expansions. Through this procedure, it is discovered that the functional that performs best onmore » the training and primary test sets has 7 linear parameters, with 3 additional nonlinear parameters from range-separation and nonlocal correlation. The resulting density functional, ωB97X-V, is further assessed on a secondary test set, the parallel-displaced coronene dimer, as well as several geometry datasets. Finally and furthermore, the basis set dependence and integration grid sensitivity of ωB97X-V are analyzed and documented in order to facilitate the use of the functional.« less

Molecular Dynamics Simulation of the Cage Effect in a Wide Packing Fraction Range

NASA Astrophysics Data System (ADS)

Pestryaev, E. M.

2018-07-01

The self-diffusion coefficient and particle residence time in the first coordination shell of its neighbours were investigated by molecular dynamics simulation with the packing fraction of the model system ranging from 0.1 to 0.8. The residence time distribution spans several orders of magnitude and broadens with the system packing fraction. The distribution exhibits a maximum localized in the short residence time region. The average residence time correlates with the conventionally-used intermolecular correlation time governed by the mutual particle translational diffusion. It was shown that the use of the coordination number as an argument for all searched parameters is the obvious representation of the cage effect onset. The agreement of the self-diffusion coefficient with one of the recent theories is excellent in most of the density range, including the start of the glass transition, with the largest divergence only observed for the rare gas state. The same conclusion is true for the simulated and theoretical values of the caging number, which is nearly five, defining the start of the system liquefaction.

Dynamical cluster approximation plus semiclassical approximation study for a Mott insulator and d-wave pairing

NASA Astrophysics Data System (ADS)

Kim, SungKun; Lee, Hunpyo

2017-06-01

Via a dynamical cluster approximation with N c = 4 in combination with a semiclassical approximation (DCA+SCA), we study the doped two-dimensional Hubbard model. We obtain a plaquette antiferromagnetic (AF) Mott insulator, a plaquette AF ordered metal, a pseudogap (or d-wave superconductor) and a paramagnetic metal by tuning the doping concentration. These features are similar to the behaviors observed in copper-oxide superconductors and are in qualitative agreement with the results calculated by the cluster dynamical mean field theory with the continuous-time quantum Monte Carlo (CDMFT+CTQMC) approach. The results of our DCA+SCA differ from those of the CDMFT+CTQMC approach in that the d-wave superconducting order parameters are shown even in the high doped region, unlike the results of the CDMFT+CTQMC approach. We think that the strong plaquette AF orderings in the dynamical cluster approximation (DCA) with N c = 4 suppress superconducting states with increasing doping up to strongly doped region, because frozen dynamical fluctuations in a semiclassical approximation (SCA) approach are unable to destroy those orderings. Our calculation with short-range spatial fluctuations is initial research, because the SCA can manage long-range spatial fluctuations in feasible computational times beyond the CDMFT+CTQMC tool. We believe that our future DCA+SCA calculations should supply information on the fully momentum-resolved physical properties, which could be compared with the results measured by angle-resolved photoemission spectroscopy experiments.

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-magnetization regime of SrCu2(BO3)2.

Short-Time Glassy Dynamics in Viscous Protein Solutions with Competing Interactions

DOE PAGES

Godfrin, P. Douglas; Hudson, Steven; Hong, Kunlun; ...

2015-11-24

Although there have been numerous investigations of the glass transition for colloidal dispersions with only a short-ranged attraction, less is understood for systems interacting with a long-ranged repulsion in addition to this attraction, which is ubiquitous in aqueous protein solutions at low ionic strength. Highly puri ed concentrated lysozyme solutions are used as a model system and investigated over a large range of protein concentrations at very low ionic strength. Newtonian liquid behavior is observed at all concentrations, even up to 480 mg/mL, where the zero shear viscosity increases by more than three orders of magnitude with increasing concentration. Remarkably,more » despite this macroscopic liquid-like behavior, the measurements of the dynamics in the short-time limit shows features typical of glassy colloidal systems. Investigation of the inter-protein structure indicates that the reduced short-time mobility of the protein is caused by localized regions of high density within a heterogeneous density distribution. This structural heterogeneity occurs on intermediate range length scale, driven by the competing potential features, and is distinct from commonly studied colloidal gel systems in which a heterogeneous density distribution tends to extend to the whole system. The presence of long-ranged repulsion also allows for more mobility over large length and long time scales resulting in the macroscopic relaxation of the structure. The experimental results provide evidence for the need to explicitly include intermediate range order in theories for the macroscopic properties of protein solutions interacting via competing potential features.« less

Spatiotemporal chaos of fractional order logistic equation in nonlinear coupled lattices

NASA Astrophysics Data System (ADS)

Zhang, Ying-Qian; Wang, Xing-Yuan; Liu, Li-Yan; He, Yi; Liu, Jia

2017-11-01

We investigate a new spatiotemporal dynamics with fractional order differential logistic map and spatial nonlinear coupling. The spatial nonlinear coupling features such as the higher percentage of lattices in chaotic behaviors for most of parameters and none periodic windows in bifurcation diagrams are held, which are more suitable for encryptions than the former adjacent coupled map lattices. Besides, the proposed model has new features such as the wider parameter range and wider range of state amplitude for ergodicity, which contributes a wider range of key space when applied in encryptions. The simulations and theoretical analyses are developed in this paper.

JPL self pulsed laser surface measurement system development. [large space deployed antenna structures

NASA Technical Reports Server (NTRS)

Berdahl, M.

1980-01-01

The use of a self pulsed laser system for accurately describing the surface shape of large space deployed antenna structures was evaluated. Tests with a breadboard system verified functional operation with short time resolution on the order of .2 mm, nonambiguous ranging, and a maximum range capability on the order of 150 m. The projected capability of the system is resolution of less than .1 mm over a reasonable time period and a range extension to over 300 m.

A reference architecture for telemonitoring.

PubMed

Clarke, Malcolm

2004-01-01

The Telecare Interactive Continuous Monitoring System exploits GPRS to provide an ambulatory device that monitors selected vital signs on a continuous basis. Alarms are sent when parameters fall outside preset limits, and accompanying physiological data may also be transmitted. The always-connected property of GPRS allows continuous interactive control of the device and its sensors, permitting changes to monitoring parameters or even enabling continuous monitoring of a sensor in emergency. A new personal area network (PAN) has been developed to support short-range wireless connection to sensors worn on the body including ECG and finger worn SpO2. Most notable is use of ultra low radio frequency to reduce power to minimum. The system has been designed to use a hierarchical architecture for sensors and "derived" signals, such as HR from ECG, so that each can be independently controlled and managed. Sensors are treated as objects, and functions are defined to control aspects of behaviour. These are refined in order to define a generic set of abstract functions to handle the majority of functions, leaving a minimum of sensor specific commands. The intention is to define a reference architecture in order to research the functionality and system architecture of a telemonitoring system. The Telecare project is funded through a grant from the European Commission (IST programme).

Changes in conformational dynamics of basic side chains upon protein–DNA association

PubMed Central

Esadze, Alexandre; Chen, Chuanying; Zandarashvili, Levani; Roy, Sourav; Pettitt, B. Montgometry; Iwahara, Junji

2016-01-01

Basic side chains play major roles in recognition of nucleic acids by proteins. However, dynamic properties of these positively charged side chains are not well understood. In this work, we studied changes in conformational dynamics of basic side chains upon protein–DNA association for the zinc-finger protein Egr-1. By nuclear magnetic resonance (NMR) spectroscopy, we characterized the dynamics of all side-chain cationic groups in the free protein and in the complex with target DNA. Our NMR order parameters indicate that the arginine guanidino groups interacting with DNA bases are strongly immobilized, forming rigid interfaces. Despite the strong short-range electrostatic interactions, the majority of the basic side chains interacting with the DNA phosphates exhibited high mobility, forming dynamic interfaces. In particular, the lysine side-chain amino groups exhibited only small changes in the order parameters upon DNA-binding. We found a similar trend in the molecular dynamics (MD) simulations for the free Egr-1 and the Egr-1–DNA complex. Using the MD trajectories, we also analyzed side-chain conformational entropy. The interfacial arginine side chains exhibited substantial entropic loss upon binding to DNA, whereas the interfacial lysine side chains showed relatively small changes in conformational entropy. These data illustrate different dynamic characteristics of the interfacial arginine and lysine side chains. PMID:27288446

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

Hopf bifurcation and chaos in a third-order phase-locked loop

NASA Astrophysics Data System (ADS)

Piqueira, José Roberto C.

2017-01-01

Phase-locked loops (PLLs) are devices able to recover time signals in several engineering applications. The literature regarding their dynamical behavior is vast, specifically considering that the process of synchronization between the input signal, coming from a remote source, and the PLL local oscillation is robust. For high-frequency applications it is usual to increase the PLL order by increasing the order of the internal filter, for guarantying good transient responses; however local parameter variations imply structural instability, thus provoking a Hopf bifurcation and a route to chaos for the phase error. Here, one usual architecture for a third-order PLL is studied and a range of permitted parameters is derived, providing a rule of thumb for designers. Out of this range, a Hopf bifurcation appears and, by increasing parameters, the periodic solution originated by the Hopf bifurcation degenerates into a chaotic attractor, therefore, preventing synchronization.

Hybrid density functional theory band structure engineering in hematite

NASA Astrophysics Data System (ADS)

Pozun, Zachary D.; Henkelman, Graeme

2011-06-01

We present a hybrid density functional theory (DFT) study of doping effects in α-Fe2O3, hematite. Standard DFT underestimates the band gap by roughly 75% and incorrectly identifies hematite as a Mott-Hubbard insulator. Hybrid DFT accurately predicts the proper structural, magnetic, and electronic properties of hematite and, unlike the DFT+U method, does not contain d-electron specific empirical parameters. We find that using a screened functional that smoothly transitions from 12% exact exchange at short ranges to standard DFT at long range accurately reproduces the experimental band gap and other material properties. We then show that the antiferromagnetic symmetry in the pure α-Fe2O3 crystal is broken by all dopants and that the ligand field theory correctly predicts local magnetic moments on the dopants. We characterize the resulting band gaps for hematite doped by transition metals and the p-block post-transition metals. The specific case of Pd doping is investigated in order to correlate calculated doping energies and optical properties with experimentally observed photocatalytic behavior.

Dual origin of pairing in nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Idini, A.; Potel, G.; Barranco, F.

The pairing correlations of the nucleus {sup 120}Sn are calculated by solving the Nambu–Gor’kov equations, including medium polarization effects resulting from the interweaving of quasiparticles, spin and density vibrations, taking into account, within the framework of nuclear field theory (NFT), processes leading to self-energy and vertex corrections and to the induced pairing interaction. From these results one can not only demonstrate the inevitability of the dual origin of pairing in nuclei, but also extract information which can be used at profit to quantitatively disentangle the contributions to the pairing gap Δ arising from the bare and from the induced pairingmore » interaction. The first is the strong {sup 1}S{sub 0} short-range NN potential resulting from meson exchange between nucleons moving in time reversal states within an energy range of hundreds of MeV from the Fermi energy. The second results from the exchange of vibrational modes between nucleons moving within few MeV from the Fermi energy. Short- (v{sub p}{sup bare}) and long-range (v{sub p}{sup ind}) pairing interactions contribute essentially equally to nuclear Cooper pair stability. That is to the breaking of gauge invariance in open-shell superfluid nuclei and thus to the order parameter, namely to the ground state expectation value of the pair creation operator. In other words, to the emergent property of generalized rigidity in gauge space, and associated rotational bands and Cooper pair tunneling between members of these bands.« less

Short-Range Order and Collective Dynamics of DMPC Bilayers: A Comparison between Molecular Dynamics Simulations, X-Ray, and Neutron Scattering Experiments

PubMed Central

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

Molecular dynamics simulations of single siloxane dendrimers: Molecular structure and intramolecular mobility of terminal groups

NASA Astrophysics Data System (ADS)

Kurbatov, A. O.; Balabaev, N. K.; Mazo, M. A.; Kramarenko, E. Yu.

2018-01-01

Molecular dynamics simulations of two types of isolated siloxane dendrimers of various generations (from the 2nd to the 8th) have been performed for temperatures ranging from 150 K to 600 K. The first type of dendrimer molecules has short spacers consisting of a single oxygen atom. In the dendrimers of the second type, spacers are longer and comprised of two oxygen atoms separated by a single silicon atom. A comparative analysis of molecular macroscopic parameters such as the gyration radius and the shape factor as well as atom distributions within dendrimer interior has been performed for varying generation number, temperature, and spacer length. It has been found that the short-spacer dendrimers of the 7th and 8th generations have a stressed central part with elongated bonds and deformed valence angles. Investigation of the time evolution of radial displacements of the terminal Si atoms has shown that a fraction of the Si groups have a reduced mobility. Therefore, rather long time trajectories (of the order of tens of nanoseconds) are required to study dendrimer intramolecular dynamics.

The Applicability of the Generalized Method of Cells for Analyzing Discontinuously Reinforced Composites

NASA Technical Reports Server (NTRS)

Pahr, D. H.; Arnold, S. M.

2001-01-01

The paper begins with a short overview of the recent work done in the field of discontinuous reinforced composites, focusing on the different parameters which influence the material behavior of discontinuous reinforced composites, as well as the various analysis approaches undertaken. Based on this overview it became evident, that in order to investigate the enumerated effects in an efficient and comprehensive manner, an alternative approach to the computationally intensive finite-element based micromechanics approach is required. Therefore, an investigation is conducted to demonstrate the utility of utilizing the generalized method of cells (GMC), a semi-analytical micromechanics-based approach, to simulate the elastic and elastoplastic material behavior of aligned short fiber composites. The results are compared with (1) simulations using other micromechanical based mean field models and finite element (FE) unit cell models found in the literature given elastic material behavior, as well as (2) finite element unit cell and a new semianalytical elastoplastic shear lag model in the inelastic range. GMC is shown to definitely have a window of applicability when simulating discontinuously reinforced composite material behavior.

The Applicability of the Generalized Method of Cells for Analyzing Discontinuously Reinforced Composites

NASA Technical Reports Server (NTRS)

Pahr, D. H.; Arnold, S. M.

2001-01-01

The paper begins with a short overview of the recent work done in the field of discontinuous reinforced composites, focusing on the different parameters which influence the material behavior of discontinuous reinforced composites, as well as the various analysis approaches undertaken. Based on this overview it became evident that in order to investigate the enumerated effects in an efficient and comprehensive manner, an alternative approach to the computationally intensive finite-element based micromechanics approach is required. Therefore, an investigation is conducted to demonstrate the utility of utilizing the generalized method of cells (GMC), a semi-analytical micromechanics-based approach, to simulate the elastic and elastoplastic material behavior of aligned short fiber composites. The results are compared with simulations using other micromechanical based mean field models and finite element (FE) unit cell models found in the literature given elastic material behavior, as well as finite element unit cell and a new semianalytical elastoplastic shear lag model in the inelastic range. GMC is shown to definitely have a window of applicability when simulating discontinuously reinforced composite material behavior.

Three-Dimensional ISAR Imaging Method for High-Speed Targets in Short-Range Using Impulse Radar Based on SIMO Array

PubMed Central

Zhou, Xinpeng; Wei, Guohua; Wu, Siliang; Wang, Dawei

2016-01-01

This paper proposes a three-dimensional inverse synthetic aperture radar (ISAR) imaging method for high-speed targets in short-range using an impulse radar. According to the requirements for high-speed target measurement in short-range, this paper establishes the single-input multiple-output (SIMO) antenna array, and further proposes a missile motion parameter estimation method based on impulse radar. By analyzing the motion geometry relationship of the warhead scattering center after translational compensation, this paper derives the receiving antenna position and the time delay after translational compensation, and thus overcomes the shortcomings of conventional translational compensation methods. By analyzing the motion characteristics of the missile, this paper estimates the missile’s rotation angle and the rotation matrix by establishing a new coordinate system. Simulation results validate the performance of the proposed algorithm. PMID:26978372

Prediction of binary nanoparticle superlattices from soft potentials

DOE PAGES

Horst, Nathan; Travesset, Alex

2016-01-07

Driven by the hypothesis that a sufficiently continuous short-ranged potential is able to account for shell flexibility and phonon modes and therefore provides a more realistic description of nanoparticle interactions than a hard sphere model, we compute the solid phase diagram of particles of different radii interacting with an inverse power law potential. From a pool of 24 candidate lattices, the free energy is optimized with respect to additional internal parameters and the p-exponent, determining the short-range properties of the potential, is varied between p = 12 and p = 6. The phase diagrams contain the phases found in ongoingmore » self-assembly experiments, including DNA programmable self-assembly and nanoparticles with capping ligands assembled by evaporation from an organic solvent. Thus, the resulting phase diagrams can be mapped quantitatively to existing experiments as a function of only two parameters: Nanoparticle radius ratio (γ) and softness asymmetry.« less

Prediction of Binary Nanoparticle Superlattices from Soft Potentials

NASA Astrophysics Data System (ADS)

Horst, Nathan; Travesset, Alex

Driven by the hypothesis that a sufficiently continuous short-ranged potential is able to account for shell flexibility and phonon modes and therefore provides a more realistic description of nanoparticle interactions than a hard sphere model, we compute the solid phase diagram of particles of different radii interacting with an inverse power law potential. We explore 24 candidate lattices where the p-exponent, determining the short-range properties of the potential, is varied between p=12 and p=6, and optimize the free energy with respect to additional internal parameters. The phase diagrams contain the phases found in ongoing self-assembly experiments, including DNA programmable self-assembly and nanoparticles with capping ligands assembled by evaporation from an organic solvent. The resulting phase diagrams can be mapped quantitatively to existing experiments as a function of only two parameters: nanoparticle radius ratio (γ) and softness asymmetry (SA). Supported by DOE under Contract Number DE-AC02-07CH11358.

Prediction of binary nanoparticle superlattices from soft potentials

NASA Astrophysics Data System (ADS)

Horst, Nathan; Travesset, Alex

2016-01-01

Driven by the hypothesis that a sufficiently continuous short-ranged potential is able to account for shell flexibility and phonon modes and therefore provides a more realistic description of nanoparticle interactions than a hard sphere model, we compute the solid phase diagram of particles of different radii interacting with an inverse power law potential. From a pool of 24 candidate lattices, the free energy is optimized with respect to additional internal parameters and the p-exponent, determining the short-range properties of the potential, is varied between p = 12 and p = 6. The phase diagrams contain the phases found in ongoing self-assembly experiments, including DNA programmable self-assembly and nanoparticles with capping ligands assembled by evaporation from an organic solvent. The resulting phase diagrams can be mapped quantitatively to existing experiments as a function of only two parameters: Nanoparticle radius ratio (γ) and softness asymmetry.

Short-pulse laser interactions with disordered materials and liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Phinney, L.M.; Goldman, C.H.; Longtin, J.P.

High-power, short-pulse lasers in the picosecond and subpicosecond range are utilized in an increasing number of technologies, including materials processing and diagnostics, micro-electronics and devices, and medicine. In these applications, the short-pulse radiation interacts with a wide range of media encompassing disordered materials and liquids. Examples of disordered materials include porous media, polymers, organic tissues, and amorphous forms of silicon, silicon nitride, and silicon dioxide. In order to accurately model, efficiently control, and optimize short-pulse, laser-material interactions, a thorough understanding of the energy transport mechanisms is necessary. Thus, fractals and percolation theory are used to analyze the anomalous diffusion regimemore » in random media. In liquids, the thermal aspects of saturable and multiphoton absorption are examined. Finally, a novel application of short-pulse laser radiation to reduce surface adhesion forces in microstructures through short-pulse laser-induced water desorption is presented.« less

Winds in hot main-sequence stars near the static limit

NASA Technical Reports Server (NTRS)

Morrison, Nancy D.

1995-01-01

This project began with the acquisition of short-wavelength, high-dispersion IUE spectra of selected late O- and early B-type stars that are near the main sequence in open clusters and associations. The profiles of the resonance lines of N(V), Si(IV), and C(IV) were studied, and we found that the C(IV) lines are the most sensitive indicators of mass loss (stellar winds) in stars of this type. The mass loss manifests itself as an extension of the short-wavelength absorption wing of the doublet, while there is no P Cygni-type emission on the long-wavelength side of the line profile. We investigated whether the short-wavelength extension could be caused by blended lines of other ionic species formed in the photosphere. Although blending is present and introduces uncertainty into the estimation of the precise location on the main sequence of the onset of the mass-loss signature, it is a crucial issue only in a few marginal cases. Mass loss certainly overwhelms blending in its influence on the spectrum between spectral types B0 and B1 (effective temperatures in the range 25,000-27,000 K). We defined a parameter called P(sub w), to describe the degree of asymmetry of the C(IV) resonance-line profile, and we studied the dependence of this parameter on the fundamental stellar parameters. For this purpose, we derived new estimates of the stellar T(eff) and log g from a non-LTE, line-blanketed model-atmosphere analysis of these stars (Grigsby, Morrison, and Anderson 1992). In order to estimate the stellar luminosities, we performed an exhaustive search of the literature for the most reliable available estimates of the distances of the clusters and associations to which the program stars belong. The dependence of P(sub w) on stellar temperature and luminosity is also studied.

The pressure-induced structural response of rare earth hafnate and stannate pyrochlore from 0.1-50 GPa

NASA Astrophysics Data System (ADS)

Turner, K. M.; Rittman, D.; Heymach, R.; Turner, M.; Tracy, C.; Mao, W. L.; Ewing, R. C.

2017-12-01

Complex oxides with the pyrochlore (A2B2O7) and defect-fluorite ((A,B)4O7) structure-types undergo structural transformations under high-pressure. These compounds are under consideration for applications including as a proposed waste-form for actinides generated in the nuclear fuel cycle. High-pressure transformations in rare earth hafnates (A2Hf2O7, A=Sm, Eu, Gd, Dy, Y, Yb) and stannates (A2Sn2O7, A=Nd, Gd, Er) were investigated to 50 GPa by in situ Raman spectroscopy and synchrotron x-ray diffraction (XRD). Rare-earth hafnates form the pyrochlore structure for A=La-Tb and the defect-fluorite structure for A=Dy-Lu. Lanthanide stannates form the pyrochlore structure. Raman spectra revealed that at ambient pressure all compositions have pyrochlore-type short-range order. Stannate compositions show a larger degree of pyrochlore-type short-range ordering relative to hafnates. In situ high-pressure synchrotron XRD showed that rare earth hafnates and stannates underwent a pressure-induced phase transition to a cotunnite-like (Pnma) structure that begins between 18-25 GPa in hafnates and between 30-33 GPa in stannates. The phase transition is not complete at 50 GPa, and upon decompression, XRD indicates that all compositions transform to defect-fluorite with an amorphous component. In situ Raman spectroscopy showed that disordering in stannates and hafnates occurs gradually upon compression. Pyrochlore-structured hafnates retain short-range order to a higher pressure (30 GPa vs. <10 GPa) than defect-fluorite-structured hafnates. Hafnates and stannates decompressed from 50 GPa show Raman spectra consistent with weberite-type structures, also reported in irradiated stannates. The second-order Birch-Murnaghan equation of state fit gives a bulk modulus of 250 GPa for hafnate compositions with the pyrochlore structure, and 400 GPa for hafnate compositions with the defect-fluorite structure. Stannates have a lower bulk modulus relative to hafnates (between 80-150 GPa). Stannate and hafnate pyrochlore compositions taken to high pressure show structural transformations consistent with irradiated pyrochlore, and compositionally disordered pyrochlore: a long-range structure best described by defect-fluorite, and a short-range structure best described by weberite.

Pretransitional phenomena and pinning in liquid-crystalline blue phases

NASA Astrophysics Data System (ADS)

Demikhov, E.; Stegemeyer, H.; Tsukruk, V.

1992-10-01

Blue phases (BP's) in liquid-crystalline systems of high chirality exhibiting a short cholesteric temperature interval are investigated. In a BP I supercooled with respect to the cholesteric phase, the orientation of the cubic lattice with the (1,1,0) wave vector perpendicular to the substrate is spontaneously turned to a [200] orientation within small areas of several tenths of micrometers in diameter. A pinning of BP I lattice temperature waves is observed on the [200] orientational inhomogeneities. The pinning effect explains the observed saturation of the BP I lattice constant on decreasing temperature and its dependence on the cooling rate observed in supercooled region. A different type of cubic blue phase, BP S (``S'' represents supercooled), is observed transforming reversibly from the supercooled BP I but metastable with respect to the cholesteric phase. The BP S has two scales of order: a long-range orientational blue-phase-like order and a short-range positional smecticlike order.

The performance and relationship among range-separated schemes for density functional theory

NASA Astrophysics Data System (ADS)

Nguyen, Kiet A.; Day, Paul N.; Pachter, Ruth

2011-08-01

The performance and relationship among different range-separated (RS) hybrid functional schemes are examined using the Coulomb-attenuating method (CAM) with different values for the fractions of exact Hartree-Fock (HF) exchange (α), long-range HF (β), and a range-separation parameter (μ), where the cases of α + β = 1 and α + β = 0 were designated as CA and CA0, respectively. Attenuated PBE exchange-correlation functionals with α = 0.20 and μ = 0.20 (CA-PBE) and α = 0.25 and μ = 0.11 (CA0-PBE) are closely related to the LRC-ωPBEh and HSE functionals, respectively. Time-dependent density functional theory calculations were carried out for a number of classes of molecules with varying degrees of charge-transfer (CT) character to provide an assessment of the accuracy of excitation energies from the CA functionals and a number of other functionals with different exchange hole models. Functionals that provided reasonable estimates for local and short-range CT transitions were found to give large errors for long-range CT excitations. In contrast, functionals that afforded accurate long-range CT excitation energies significantly overestimated energies for short-range CT and local transitions. The effects of exchange hole models and parameters developed for RS functionals for CT excitations were analyzed in detail. The comparative analysis across compound classes provides a useful benchmark for CT excitations.

Influence of Ti Doping on the Critical Behavior and Magnetocaloric Effect in Disordered Ferromagnets La0.7Ba0.3Mn1- x Ti x O3

NASA Astrophysics Data System (ADS)

Ho, T. A.; Phan, M. H.; Phuc, N. X.; Lam, V. D.; Phan, T. L.; Yu, S. C.

2016-05-01

The Ti-substitution influence on the magnetic and magnetocaloric properties of La0.7Ba0.3Mn1- x Ti x O3 ( x = 0.05 and 0.1) was investigated. Based on Banerjee's criteria and Franco's universal curves, we proved the existence of a second-order magnetic phase transition in the samples. Using the modified Arrott plot method, we determined the critical parameters T C ≈ 245 K, β = 0.374 ± 0.013, γ = 1.228 ± 0.045, and δ = 4.26 ± 0.03 for x = 0.05, and T C ≈ 169 K, β = 0.339 ± 0.001, γ = 1.307 ± 0.003, and δ = 4.78 ± 0.02 for x = 0.1. With these critical values, the predictable scaling behavior of the M( H) data above and below T C proves that the calculated exponents are unambiguous and intrinsic. The values β = 0.374 for x = 0.05 and β = 0.339 for x = 0.1 suggest that the magnetic phase transition of the samples falls into the three-dimensional (3D) Heisenberg and 3D Ising universality classes, respectively, corresponding to short-range ferromagnetic (FM) order due to FM clusters in a wide temperature range even above T C, as confirmed by electron spin resonance studies. In reference to the magnetocaloric effect around T C, the magnetic entropy change reaches maximum values (|ΔSmax|) of about 4 and 3 J kg-1 K-1 for x = 0.05 and 0.1, respectively, for a magnetic field change 50 kOe. Magnetic field dependencies of |ΔSmax| obey a power function |ΔSmax( H)| ∝ H n , where exponent values n = 0.59 and 0.61 for x = 0.05 and 0.1, respectively, were determined from the relation n = 1 + ( β-1)/( β + γ). The difference between the experimental n values and the theoretical value n = 2/3 of the mean field model is due to the presence of short-range FM order in the samples.

The impact of longitudinal intestinal lengthening and tailoring on liver function in short bowel syndrome.

PubMed

Reinshagen, K; Zahn, K; Buch, C von; Zoeller, M; Hagl, C I; Ali, M; Waag, K-L

2008-08-01

Short bowel syndrome is a functional or anatomic loss of major parts of the small bowel leading to severe malnutrition. The limiting factor for the survival of these patients remains parenteral nutrition-related liver damage leading to end-stage liver failure. Longitudinal intestinal lengthening and tailoring (LILT) has been proven to enhance peristalsis, to decrease bacterial overgrowth and to extend the mucosal contact time for the absorption of nutrients. The aim of this study was to show the impact of LILT on the development of parenteral nutrition-related liver damage. A cohort of 55 patients with short bowel syndrome managed with LILT in our institution between 1987 and 2007 was retrospectively reviewed. LILT was performed at a mean age of 24 months (range 4 - 150 months). Mean follow-up time was 83.76 months (range 5 - 240 months). We obtained reliable data from 31 patients with regard to liver enzymes and function parameters in blood samples before LILT and at the present time. Liver biopsy was performed in 14 patients prior to LILT. Liver enzymes ALAT (mean 121 U/l), ASAT (mean 166 U/l) and bilirubin (mean 2.49 mg/dl) were elevated preoperatively in 27/31 children. After the lengthening procedure, ALAT (mean 50 U/l), ASAT (mean 63 U/l) and bilirubin (mean 1.059 mg/dl) normalized except in 5 of 8 patients who could not be weaned from parenteral nutrition after LILT. Liver function parameters such as the international normal ratio (INR) were slightly elevated in 5/31 patients. Albumin was generally low, probably due to parenteral nutrition. Liver biopsy was performed in 14 patients preoperatively, showing 4 patients with low-grade, 6 patients with intermediate and 4 patients with high-grade fibrosis. End-stage liver disease with cirrhosis was an exclusion criterion for LILT. All patients with liver fibrosis showed a normalization of liver enzymes when they were weaned from parenteral nutrition. But patients with higher grade liver fibrosis tend to develop more complications perioperatively. After LILT, all patients with liver fibrosis who could be weaned from parenteral nutrition showed a normalization of liver enzymes. Preoperative liver biopsy is mandatory in order to differentiate reversible liver fibrosis from end-stage liver disease. A higher grade of liver fibrosis and elevated INR has been shown to be a sensitive parameter for peri- and postoperative complications.

Chiral photonic crystal fibers with single mode and single polarization

NASA Astrophysics Data System (ADS)

Li, She; Li, Junqing

2015-12-01

Chiral photonic crystal fiber (PCF) with a solid core is numerically investigated by a modified chiral plane-wave expansion method. The effects of structural parameters and chirality strength are analyzed on single-polarization single-mode range and polarization states of guided modes. The simulation demonstrates that the chiral photonic crystal fiber compared to its achiral counterpart possesses another single-circular-polarization operation range, which is located in the short-wavelength region. The original single-polarization operation range in the long-wavelength region extends to the short wavelength caused by introducing chirality. Then this range becomes a broadened one with elliptical polarization from linear polarization. With increase of chirality, the two single-polarization single-mode ranges may fuse together. By optimizing the structure, an ultra-wide single-circular-polarization operation range from 0.5 μm to 1.67 μm for chiral PCF can be realized with moderate chirality strength.

Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy

DOE PAGES

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

Oscillatory cellular patterns in three-dimensional directional solidification

NASA Astrophysics Data System (ADS)

Tourret, D.; Debierre, J.-M.; Song, Y.; Mota, F. L.; Bergeon, N.; Guérin, R.; Trivedi, R.; Billia, B.; Karma, A.

2015-10-01

We present a phase-field study of oscillatory breathing modes observed during the solidification of three-dimensional cellular arrays in microgravity. Directional solidification experiments conducted onboard the International Space Station have allowed us to observe spatially extended homogeneous arrays of cells and dendrites while minimizing the amount of gravity-induced convection in the liquid. In situ observations of transparent alloys have revealed the existence, over a narrow range of control parameters, of oscillations in cellular arrays with a period ranging from about 25 to 125 min. Cellular patterns are spatially disordered, and the oscillations of individual cells are spatiotemporally uncorrelated at long distance. However, in regions displaying short-range spatial ordering, groups of cells can synchronize into oscillatory breathing modes. Quantitative phase-field simulations show that the oscillatory behavior of cells in this regime is linked to a stability limit of the spacing in hexagonal cellular array structures. For relatively high cellular front undercooling (i.e., low growth velocity or high thermal gradient), a gap appears in the otherwise continuous range of stable array spacings. Close to this gap, a sustained oscillatory regime appears with a period that compares quantitatively well with experiment. For control parameters where this gap exists, oscillations typically occur for spacings at the edge of the gap. However, after a change of growth conditions, oscillations can also occur for nearby values of control parameters where this gap just closes and a continuous range of spacings exists. In addition, sustained oscillations at to the opening of this stable gap exhibit a slow periodic modulation of the phase-shift among cells with a slower period of several hours. While long-range coherence of breathing modes can be achieved in simulations for a perfect spatial arrangement of cells as initial condition, global disorder is observed in both three-dimensional experiments and simulations from realistic noisy initial conditions. In the latter case, erratic tip-splitting events promoted by large-amplitude oscillations contribute to maintaining the long-range array disorder, unlike in thin-sample experiments where long-range coherence of oscillations is experimentally observable.

Oscillatory cellular patterns in three-dimensional directional solidification

DOE PAGES

Tourret, D.; Debierre, J. -M.; Song, Y.; ...

2015-09-11

We present a phase-field study of oscillatory breathing modes observed during the solidification of three-dimensional cellular arrays in micro-gravity. Directional solidification experiments conducted onboard the International Space Station have allowed for the first time to observe spatially extended homogeneous arrays of cells and dendrites while minimizing the amount of gravity-induced convection in the liquid. In situ observations of transparent alloys have revealed the existence, over a narrow range of control parameters, of oscillations in cellular arrays with a period ranging from about 25 to 125 minutes. Cellular patterns are spatially disordered, and the oscillations of individual cells are spatiotemporally uncorrelatedmore » at long distance. However, in regions displaying short-range spatial ordering, groups of cells can synchronize into oscillatory breathing modes. Quantitative phase-field simulations show that the oscillatory behavior of cells in this regime is linked to a stability limit of the spacing in hexagonal cellular array structures. For relatively high cellular front undercooling (\\ie low growth velocity or high thermal gradient), a gap appears in the otherwise continuous range of stable array spacings. Close to this gap, a sustained oscillatory regime appears with a period that compares quantitatively well with experiment. For control parameters where this gap exist, oscillations typically occur for spacings at the edge of the gap. However, after a change of growth conditions, oscillations can also occur for nearby values of control parameters where this gap just closes and a continuous range of spacings exists. In addition, sustained oscillations at to the opening of this stable gap exhibit a slow periodic modulation of the phase-shift among cells with a slower period of several hours. While long-range coherence of breathing modes can be achieved in simulations for a perfect spatial arrangement of cells as initial condition, global disorder is observed in both three-dimensional experiments and simulations from realistic noisy initial conditions. The, erratic tip splitting events promoted by large amplitude oscillations contribute to maintaining the long-range array disorder, unlike in thin sample experiments where long-range coherence of oscillations is experimentally observable.« less

Oscillatory cellular patterns in three-dimensional directional solidification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tourret, D.; Debierre, J. -M.; Song, Y.

We present a phase-field study of oscillatory breathing modes observed during the solidification of three-dimensional cellular arrays in micro-gravity. Directional solidification experiments conducted onboard the International Space Station have allowed for the first time to observe spatially extended homogeneous arrays of cells and dendrites while minimizing the amount of gravity-induced convection in the liquid. In situ observations of transparent alloys have revealed the existence, over a narrow range of control parameters, of oscillations in cellular arrays with a period ranging from about 25 to 125 minutes. Cellular patterns are spatially disordered, and the oscillations of individual cells are spatiotemporally uncorrelatedmore » at long distance. However, in regions displaying short-range spatial ordering, groups of cells can synchronize into oscillatory breathing modes. Quantitative phase-field simulations show that the oscillatory behavior of cells in this regime is linked to a stability limit of the spacing in hexagonal cellular array structures. For relatively high cellular front undercooling (\\ie low growth velocity or high thermal gradient), a gap appears in the otherwise continuous range of stable array spacings. Close to this gap, a sustained oscillatory regime appears with a period that compares quantitatively well with experiment. For control parameters where this gap exist, oscillations typically occur for spacings at the edge of the gap. However, after a change of growth conditions, oscillations can also occur for nearby values of control parameters where this gap just closes and a continuous range of spacings exists. In addition, sustained oscillations at to the opening of this stable gap exhibit a slow periodic modulation of the phase-shift among cells with a slower period of several hours. While long-range coherence of breathing modes can be achieved in simulations for a perfect spatial arrangement of cells as initial condition, global disorder is observed in both three-dimensional experiments and simulations from realistic noisy initial conditions. The, erratic tip splitting events promoted by large amplitude oscillations contribute to maintaining the long-range array disorder, unlike in thin sample experiments where long-range coherence of oscillations is experimentally observable.« less

Universal DC Hall conductivity of Jain's state ν = N/2N +/- 1

NASA Astrophysics Data System (ADS)

Nguyen, Dung; Son, Dam

We present the Fermi-liquid theory of the fractional quantum Hall effect to describe Jain's states with filling fraction ν =N/2 N +/- 1 , that are near half filling. We derive the DC Hall conductivity σH (t) in closed form within the validity of our model. The results show that, without long range interaction, DC Hall conductivity has the universal form which doesn't depend on the detail of short range Landau's parameters Fn. When long range interaction is included, DC Hall conductivity depends on both long range interaction and Landau's parameters. We also analyze the relation between DC Hall conductivity and static structure factor. This work was supported by the Chicago MRSEC, which is funded by NSF through Grant DMR-1420709.

Earthquake prediction in Japan and natural time analysis of seismicity

NASA Astrophysics Data System (ADS)

Uyeda, S.; Varotsos, P.

2011-12-01

M9 super-giant earthquake with huge tsunami devastated East Japan on 11 March, causing more than 20,000 casualties and serious damage of Fukushima nuclear plant. This earthquake was predicted neither short-term nor long-term. Seismologists were shocked because it was not even considered possible to happen at the East Japan subduction zone. However, it was not the only un-predicted earthquake. In fact, throughout several decades of the National Earthquake Prediction Project, not even a single earthquake was predicted. In reality, practically no effective research has been conducted for the most important short-term prediction. This happened because the Japanese National Project was devoted for construction of elaborate seismic networks, which was not the best way for short-term prediction. After the Kobe disaster, in order to parry the mounting criticism on their no success history, they defiantly changed their policy to "stop aiming at short-term prediction because it is impossible and concentrate resources on fundamental research", that meant to obtain "more funding for no prediction research". The public were and are not informed about this change. Obviously earthquake prediction would be possible only when reliable precursory phenomena are caught and we have insisted this would be done most likely through non-seismic means such as geochemical/hydrological and electromagnetic monitoring. Admittedly, the lack of convincing precursors for the M9 super-giant earthquake has adverse effect for us, although its epicenter was far out off shore of the range of operating monitoring systems. In this presentation, we show a new possibility of finding remarkable precursory signals, ironically, from ordinary seismological catalogs. In the frame of the new time domain termed natural time, an order parameter of seismicity, κ1, has been introduced. This is the variance of natural time kai weighted by normalised energy release at χ. In the case that Seismic Electric Signals' (SES) data are available as in Greece, the natural time analysis of the seismicity after the initiation of the SES allows the determination of the time window of the impending mainshock through the evolution of the value of κ1 itself. It was found to work also for the 1989 M7.1 Loma Prieta earthquake. If SES data are not available, we solely rely on the evolution of the fluctuations of κ1 obtained by computing κ1 values using a natural time window of certain length sliding through the earthquake catalog. The fluctuations of the order parameter, in terms of variability, i. e., standard deviation divided by average, was found to increase dramatically when approaching the 11 March M9 super- giant earthquake. In fact, such increase was also found for M7.1 Kobe in 1995, M8.0 Tokachi-oki in 2003 and Landers and Hector-Mines earthquakes in Southern California. It is worth mentioning that such increase is obtained straghtforwardly from ordinary earthquake catalogs without any adjustable parameters.

Zigzag antiferromagnetic ground state with anisotropic correlation lengths in the quasi-two-dimensional honeycomb lattice compound N a2C o2Te O6

NASA Astrophysics Data System (ADS)

Bera, A. K.; Yusuf, S. M.; Kumar, Amit; Ritter, C.

2017-03-01

The crystal structure, magnetic ground state, and the temperature-dependent microscopic spin-spin correlations of the frustrated honeycomb lattice antiferromagnet N a2C o2Te O6 have been investigated by powder neutron diffraction. A long-range antiferromagnetic (AFM) ordering has been found below TN˜24.8 K . The magnetic ground state, determined to be zigzag antiferromagnetic and characterized by a propagation vector k =(1 /2 0 0 ) , occurs due to the competing exchange interactions up to third-nearest neighbors within the honeycomb lattice. The exceptional existence of a limited magnetic correlation length along the c axis (perpendicular to the honeycomb layers in the a b planes) has been found even at 1.8 K, well below the TN˜24.8 K . The observed limited correlation along the c axis is explained by the disorder distribution of the Na ions within the intermediate layers between honeycomb planes. The reduced ordered moments mCo (1 )=2.77 (3 ) μB/C o2 + and mCo (2 )=2.45 (2 ) μB/C o2 + at 1.8 K reflect the persistence of spin fluctuations in the ordered state. Above TN˜24.8 K , the presence of short-range magnetic correlations, manifested by broad diffuse magnetic peaks in the diffraction patterns, has been found. Reverse Monte Carlo analysis of the experimental diffuse magnetic scattering data reveals that the spin correlations are mainly confined within the two-dimensional honeycomb layers (a b plane) with a correlation length of ˜12 Å at 25 K. The nature of the spin arrangements is found to be similar in both the short-range and long-range ordered magnetic states. This implies that the short-range correlation grows with decreasing temperature and leads to the zigzag AFM ordering at T ≤TN . The present study provides a comprehensive picture of the magnetic correlations over the temperature range above and below the TN and their relation to the crystal structure. The role of intermediate soft Na layers on the magnetic coupling between honeycomb planes is discussed.

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

PubMed

Sommerfeld, Thomas; Ehara, Masahiro

2015-01-21

The energy of a temporary anion can be computed by adding a stabilizing potential to the molecular Hamiltonian, increasing the stabilization until the temporary state is turned into a bound state, and then further increasing the stabilization until enough bound state energies have been collected so that these can be extrapolated back to vanishing stabilization. The lifetime can be obtained from the same data, but only if the extrapolation is done through analytic continuation of the momentum as a function of the square root of a shifted stabilizing parameter. This method is known as analytic continuation of the coupling constant, and it requires--at least in principle--that the bound-state input data are computed with a short-range stabilizing potential. In the context of molecules and ab initio packages, long-range Coulomb stabilizing potentials are, however, far more convenient and have been used in the past with some success, although the error introduced by the long-rang nature of the stabilizing potential remains unknown. Here, we introduce a soft-Voronoi box potential that can serve as a short-range stabilizing potential. The difference between a Coulomb and the new stabilization is analyzed in detail for a one-dimensional model system as well as for the (2)Πu resonance of CO2(-), and in both cases, the extrapolation results are compared to independently computed resonance parameters, from complex scaling for the model, and from complex absorbing potential calculations for CO2(-). It is important to emphasize that for both the model and for CO2(-), all three sets of results have, respectively, been obtained with the same electronic structure method and basis set so that the theoretical description of the continuum can be directly compared. The new soft-Voronoi-box-based extrapolation is then used to study the influence of the size of diffuse and the valence basis sets on the computed resonance parameters.

Magnetic phase transitions and ferromagnetic short-range correlations in single-crystal Tb5Si2.2Ge1.8

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.

Phase diagram of the Shastry-Sutherland Kondo lattice model with classical localized spins: a variational calculation study

NASA Astrophysics Data System (ADS)

Shahzad, Munir; Sengupta, Pinaki

2017-08-01

We study the Shastry-Sutherland Kondo lattice model with additional Dzyaloshinskii-Moriya (DM) interactions, exploring the possible magnetic phases in its multi-dimensional parameter space. Treating the local moments as classical spins and using a variational ansatz, we identify the parameter ranges over which various common magnetic orderings are potentially stabilized. Our results reveal that the competing interactions result in a heightened susceptibility towards a wide range of spin configurations including longitudinal ferromagnetic and antiferromagnetic order, coplanar flux configurations and most interestingly, multiple non-coplanar configurations including a novel canted-flux state as the different Hamiltonian parameters like electron density, interaction strengths and degree of frustration are varied. The non-coplanar and non-collinear magnetic ordering of localized spins behave like emergent electromagnetic fields and drive unusual transport and electronic phenomena.

Double-exponential decay of orientational correlations in semiflexible polyelectrolytes.

PubMed

Bačová, P; Košovan, P; Uhlík, F; Kuldová, J; Limpouchová, Z; Procházka, K

2012-06-01

In this paper we revisited the problem of persistence length of polyelectrolytes. We performed a series of Molecular Dynamics simulations using the Debye-Hückel approximation for electrostatics to test several equations which go beyond the classical description of Odijk, Skolnick and Fixman (OSF). The data confirm earlier observations that in the limit of large contour separations the decay of orientational correlations can be described by a single-exponential function and the decay length can be described by the OSF relation. However, at short countour separations the behaviour is more complex. Recent equations which introduce more complicated expressions and an additional length scale could describe the results very well on both the short and the long length scale. The equation of Manghi and Netz when used without adjustable parameters could capture the qualitative trend but deviated in a quantitative comparison. Better quantitative agreement within the estimated error could be obtained using three equations with one adjustable parameter: 1) the equation of Manghi and Netz; 2) the equation proposed by us in this paper; 3) the equation proposed by Cannavacciuolo and Pedersen. Two characteristic length scales can be identified in the data: the intrinsic or bare persistence length and the electrostatic persistence length. All three equations use a single parameter to describe a smooth crossover from the short-range behaviour dominated by the intrinsic stiffness of the chain to the long-range OSF-like behaviour.

MM wave SAR sensor design: Concept for an airborne low level reconnaissance system

NASA Astrophysics Data System (ADS)

Boesswetter, C.

1986-07-01

The basic system design considerations for a high resolution SAR system operating at 35 GHz or 94 GHz are given. First it is shown that only the focussed SAR concept in the side looking configuration matches the requirements and constraints. After definition of illumination geometry and airborne modes the fundamental SAR parameters in range and azimuth direction are derived. A review of the performance parameters of some critical mm wave components (coherent pulsed transmitters, front ends, antennas) establish the basis for further analysis. The power and contrast budget in the processed SAR image shows the feasibility of a 35/94 GHz SAR sensor design. The discussion of the resulting system parameters points out that this unusual system design implies both benefits and new risk areas. One of the benefits besides the compactness of sensor hardware turns out to be the short synthetic aperture length simplifying the design of the digital SAR processor, preferably operating in real time. A possible architecture based on current state-of-the-art correlator hardware is shown. One of the potential risk areas in achieving high resolution SAR imagery in the mm wave frequency band is motion compensation. However, it is shown that the short range and short synthetic aperture lengths ease the problem so that correction of motion induced phase errors and thus focussed synthetic aperture processing should be possible.

Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional.

PubMed

Brumboiu, Iulia Emilia; Prokopiou, Georgia; Kronik, Leeor; Brena, Barbara

2017-07-28

We analyse the valence electronic structure of cobalt phthalocyanine (CoPc) by means of optimally tuning a range-separated hybrid functional. The tuning is performed by modifying both the amount of short-range exact exchange (α) included in the hybrid functional and the range-separation parameter (γ), with two strategies employed for finding the optimal γ for each α. The influence of these two parameters on the structural, electronic, and magnetic properties of CoPc is thoroughly investigated. The electronic structure is found to be very sensitive to the amount and range in which the exact exchange is included. The electronic structure obtained using the optimal parameters is compared to gas-phase photo-electron data and GW calculations, with the unoccupied states additionally compared with inverse photo-electron spectroscopy measurements. The calculated spectrum with tuned γ, determined for the optimal value of α = 0.1, yields a very good agreement with both experimental results and with GW calculations that well-reproduce the experimental data.

The Effects of Hearing Aid Compression Parameters on the Short-Term Dynamic Range of Continuous Speech

ERIC Educational Resources Information Center

Henning, Rebecca L. Warner; Bentler, Ruth A.

2008-01-01

Purpose: The purpose of this study was to evaluate and quantitatively model the independent and interactive effects of compression ratio, number of compression channels, and release time on the dynamic range of continuous speech. Method: A CD of the Rainbow Passage (J. E. Bernthal & N. W. Bankson, 1993) was used. The hearing aid was a…

Real-space investigation of short-range magnetic correlations in fluoride pyrochlores NaCaCo 2F 7 and NaSrCo 2F 7 with magnetic pair distribution function analysis

DOE PAGES

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

Real-space investigation of short-range magnetic correlations in fluoride pyrochlores NaCaCo 2F 7 and NaSrCo 2F 7 with magnetic pair distribution function analysis

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

The Gravitational Origin of the Higgs Boson Mass

NASA Astrophysics Data System (ADS)

Winterberg, Friedwardt

2014-06-01

The Lorentzian interpretation of the special theory of relativity explains all the relativistic effects by true deformations of rods and clocks in absolute motion against a preferred reference system, and where Lorentz invariance is a dynamic symmetry with the Galilei group the more fundamental kinematic symmetry of nature. In an exactly nonrelativistic quantum field theory the particle number operator commutes with the Hamilton operator which permits to introduce negative besides positive masses as the fundamental constituents of matter. Assuming that space is densely filled with an equal number of positive and negative locally interacting Planck mass particles, with those of equal sign repelling and those of opposite sign attracting each other, all the particles except the Planck mass particles are quasiparticles of this positive-negative-mass Planck mass plasma. Very much as the Van der Waals forces is the residual short-range electromagnetic force holding condensed matter together, and the strong nuclear force the residual short range gluon force holding together nuclear matter, it is conjectured that the Higgs field is the residual short range gravitational force holding together pre-quark matter made up from large positive and negative masses of the order ±1013 GeV. This hypothesis supports a theory by Dehnen and Frommert who have shown that the Higgs field acts like a short range gravitational field, with a strength about 32 orders of magnitude larger than one would expect in the absence of the positive-negative pre-quark mass hypothesis.

Real-space investigation of short-range magnetic correlations in fluoride pyrochlores NaCaCo2F7 and NaSrCo2F7 with magnetic pair distribution function analysis

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.

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.

PubMed

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.

Refusing to Twist: Demonstration of a Line Hexatic Phase in DNA Liquid Crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strey, H. H.; NICHD/LPSB, National Institutes of Health, Building 12A/2041, Bethesda, Maryland 20892-5626; Wang, J.

2000-04-03

We report conclusive high resolution small angle x-ray scattering evidence that long DNA fragments form an untwisted line hexatic phase between the cholesteric and the crystalline phases. The line hexatic phase is a liquid-crystalline phase with long-range hexagonal bond-orientational order, long-range nematic order, but liquidlike, i.e., short-range, positional order. So far, it has not been seen in any other three dimensional system. By line-shape analysis of x-ray scattering data we found that positional order decreases when the line hexatic phase is compressed. We suggest that such anomalous behavior is a result of the chiral nature of DNA molecules. (c) 2000more » The American Physical Society.« less

Optimizing of a high-order digital filter using PSO algorithm

NASA Astrophysics Data System (ADS)

Xu, Fuchun

2018-04-01

A self-adaptive high-order digital filter, which offers opportunity to simplify the process of tuning parameters and further improve the noise performance, is presented in this paper. The parameters of traditional digital filter are mainly tuned by complex calculation, whereas this paper presents a 5th order digital filter to obtain outstanding performance and the parameters of the proposed filter are optimized by swarm intelligent algorithm. Simulation results with respect to the proposed 5th order digital filter, SNR>122dB and the noise floor under -170dB are obtained in frequency range of [5-150Hz]. In further simulation, the robustness of the proposed 5th order digital is analyzed.

Effect of Pendant Side-Chain Sterics and Dipole Forces on Short Range Ordering in Random Polyelectrolytes

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).

Monte Carlo Method for Determining Earthquake Recurrence Parameters from Short Paleoseismic Catalogs: Example Calculations for California

USGS Publications Warehouse

Parsons, Tom

2008-01-01

Paleoearthquake observations often lack enough events at a given site to directly define a probability density function (PDF) for earthquake recurrence. Sites with fewer than 10-15 intervals do not provide enough information to reliably determine the shape of the PDF using standard maximum-likelihood techniques [e.g., Ellsworth et al., 1999]. In this paper I present a method that attempts to fit wide ranges of distribution parameters to short paleoseismic series. From repeated Monte Carlo draws, it becomes possible to quantitatively estimate most likely recurrence PDF parameters, and a ranked distribution of parameters is returned that can be used to assess uncertainties in hazard calculations. In tests on short synthetic earthquake series, the method gives results that cluster around the mean of the input distribution, whereas maximum likelihood methods return the sample means [e.g., NIST/SEMATECH, 2006]. For short series (fewer than 10 intervals), sample means tend to reflect the median of an asymmetric recurrence distribution, possibly leading to an overestimate of the hazard should they be used in probability calculations. Therefore a Monte Carlo approach may be useful for assessing recurrence from limited paleoearthquake records. Further, the degree of functional dependence among parameters like mean recurrence interval and coefficient of variation can be established. The method is described for use with time-independent and time-dependent PDF?s, and results from 19 paleoseismic sequences on strike-slip faults throughout the state of California are given.

Monte Carlo method for determining earthquake recurrence parameters from short paleoseismic catalogs: Example calculations for California

USGS Publications Warehouse

Parsons, T.

2008-01-01

Paleoearthquake observations often lack enough events at a given site to directly define a probability density function (PDF) for earthquake recurrence. Sites with fewer than 10-15 intervals do not provide enough information to reliably determine the shape of the PDF using standard maximum-likelihood techniques (e.g., Ellsworth et al., 1999). In this paper I present a method that attempts to fit wide ranges of distribution parameters to short paleoseismic series. From repeated Monte Carlo draws, it becomes possible to quantitatively estimate most likely recurrence PDF parameters, and a ranked distribution of parameters is returned that can be used to assess uncertainties in hazard calculations. In tests on short synthetic earthquake series, the method gives results that cluster around the mean of the input distribution, whereas maximum likelihood methods return the sample means (e.g., NIST/SEMATECH, 2006). For short series (fewer than 10 intervals), sample means tend to reflect the median of an asymmetric recurrence distribution, possibly leading to an overestimate of the hazard should they be used in probability calculations. Therefore a Monte Carlo approach may be useful for assessing recurrence from limited paleoearthquake records. Further, the degree of functional dependence among parameters like mean recurrence interval and coefficient of variation can be established. The method is described for use with time-independent and time-dependent PDFs, and results from 19 paleoseismic sequences on strike-slip faults throughout the state of California are given.

Short-term scheduling of an open-pit mine with multiple objectives

NASA Astrophysics Data System (ADS)

Blom, Michelle; Pearce, Adrian R.; Stuckey, Peter J.

2017-05-01

This article presents a novel algorithm for the generation of multiple short-term production schedules for an open-pit mine, in which several objectives, of varying priority, characterize the quality of each solution. A short-term schedule selects regions of a mine site, known as 'blocks', to be extracted in each week of a planning horizon (typically spanning 13 weeks). Existing tools for constructing these schedules use greedy heuristics, with little optimization. To construct a single schedule in which infrastructure is sufficiently utilized, with production grades consistently close to a desired target, a planner must often run these heuristics many times, adjusting parameters after each iteration. A planner's intuition and experience can evaluate the relative quality and mineability of different schedules in a way that is difficult to automate. Of interest to a short-term planner is the generation of multiple schedules, extracting available ore and waste in varying sequences, which can then be manually compared. This article presents a tool in which multiple, diverse, short-term schedules are constructed, meeting a range of common objectives without the need for iterative parameter adjustment.

Infinitely robust order and local order-parameter tulips in Apollonian networks with quenched disorder

NASA Astrophysics Data System (ADS)

Kaplan, C. Nadir; Hinczewski, Michael; Berker, A. Nihat

2009-06-01

For a variety of quenched random spin systems on an Apollonian network, including ferromagnetic and antiferromagnetic bond percolation and the Ising spin glass, we find the persistence of ordered phases up to infinite temperature over the entire range of disorder. We develop a renormalization-group technique that yields highly detailed information, including the exact distributions of local magnetizations and local spin-glass order parameters, which turn out to exhibit, as function of temperature, complex and distinctive tulip patterns.

Computational model for behavior shaping as an adaptive health intervention strategy.

PubMed

Berardi, Vincent; Carretero-González, Ricardo; Klepeis, Neil E; Ghanipoor Machiani, Sahar; Jahangiri, Arash; Bellettiere, John; Hovell, Melbourne

2018-03-01

Adaptive behavioral interventions that automatically adjust in real-time to participants' changing behavior, environmental contexts, and individual history are becoming more feasible as the use of real-time sensing technology expands. This development is expected to improve shortcomings associated with traditional behavioral interventions, such as the reliance on imprecise intervention procedures and limited/short-lived effects. JITAI adaptation strategies often lack a theoretical foundation. Increasing the theoretical fidelity of a trial has been shown to increase effectiveness. This research explores the use of shaping, a well-known process from behavioral theory for engendering or maintaining a target behavior, as a JITAI adaptation strategy. A computational model of behavior dynamics and operant conditioning was modified to incorporate the construct of behavior shaping by adding the ability to vary, over time, the range of behaviors that were reinforced when emitted. Digital experiments were performed with this updated model for a range of parameters in order to identify the behavior shaping features that optimally generated target behavior. Narrowing the range of reinforced behaviors continuously in time led to better outcomes compared with a discrete narrowing of the reinforcement window. Rapid narrowing followed by more moderate decreases in window size was more effective in generating target behavior than the inverse scenario. The computational shaping model represents an effective tool for investigating JITAI adaptation strategies. Model parameters must now be translated from the digital domain to real-world experiments so that model findings can be validated.

Damped spin waves in the intermediate ordered phases in Ni 3V 2O 8

DOE PAGES

Ehlers, Georg; Podlesnyak, Andrey A.; Frontzek, Matthias D.; ...

2015-06-09

Here, spin dynamics in the intermediate ordered phases (between 4 and 9 K) in Ni 3V 2O 8 have been studied with inelastic neutron scattering. It is found that the spin waves are very diffuse, indicative of short lived correlations and the coexistence of paramagnetic moments with the long-range ordered state.

Analysis of temporal decay of diffuse broadband sound fields in enclosures by decomposition in powers of an absorption parameter

NASA Astrophysics Data System (ADS)

Bliss, Donald; Franzoni, Linda; Rouse, Jerry; Manning, Ben

2005-09-01

An analysis method for time-dependent broadband diffuse sound fields in enclosures is described. Beginning with a formulation utilizing time-dependent broadband intensity boundary sources, the strength of these wall sources is expanded in a series in powers of an absorption parameter, thereby giving a separate boundary integral problem for each power. The temporal behavior is characterized by a Taylor expansion in the delay time for a source to influence an evaluation point. The lowest-order problem has a uniform interior field proportional to the reciprocal of the absorption parameter, as expected, and exhibits relatively slow exponential decay. The next-order problem gives a mean-square pressure distribution that is independent of the absorption parameter and is primarily responsible for the spatial variation of the reverberant field. This problem, which is driven by input sources and the lowest-order reverberant field, depends on source location and the spatial distribution of absorption. Additional problems proceed at integer powers of the absorption parameter, but are essentially higher-order corrections to the spatial variation. Temporal behavior is expressed in terms of an eigenvalue problem, with boundary source strength distributions expressed as eigenmodes. Solutions exhibit rapid short-time spatial redistribution followed by long-time decay of a predominant spatial mode.

Determination of Zn/Cu ratio and oligoelements in serum samples by total reflection X-ray fluorescence spectrometry for cancer diagnosis

NASA Astrophysics Data System (ADS)

Marcó P., L. M.; Jiménez, E.; Hernández C., E. A.; Rojas, A.; Greaves, E. D.

2001-11-01

The method of quantification using the Compton peak as an internal standard, developed in a previous work, was applied to the routine determination of Fe, Cu, Zn and Se in serum samples from normal individuals and cancer patients by total reflection X-ray fluorescence spectrometry. Samples were classified according to age and sex of the donor, in order to determine reference values for normal individuals. Results indicate that the Zn/Cu ratio and the Cu concentration could prove to be useful tools for cancer diagnosis. Significant differences in these parameters between the normal and cancer group were found for all age ranges. The multielemental character of the technique, coupled with the small amounts of sample required and the short analysis time make it a valuable tool in clinical analysis.

Understanding the detection of carbon in austenitic high-Mn steel using atom probe tomography.

PubMed

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.

Analysis of Short and Long Range Atomic Order in Nanocrystalline Diamonds with Application of Powder Diffractometry

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.;

Optimized equation of the state of the square-well fluid of variable range based on a fourth-order free-energy expansion.

PubMed

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.

The effect of long-range order on the elastic properties of Cu3Au

NASA Astrophysics Data System (ADS)

Wang, Gui-Sheng; Krisztina Delczeg-Czirjak, Erna; Hu, Qing-Miao; Kokko, Kalevi; Johansson, Börje; Vitos, Levente

2013-02-01

Ab initio calculations, based on the exact muffin-tin orbitals method are used to determine the elastic properties of Cu-Au alloys with Au/Cu ratio 1/3. The compositional disorder is treated within the coherent potential approximation. The lattice parameters and single-crystal elastic constants are calculated for different partially ordered structures ranging from the fully ordered L12 to the random face centered cubic lattice. It is shown that the theoretical elastic constants follow a clear trend with the degree of chemical order: namely, C11 and C12 decrease, whereas C44 remains nearly constant with increasing disorder. The present results are in line with the experimental findings that the impact of the chemical ordering on the fundamental elastic parameters is close to the resolution of the available experimental and theoretical tools.

Phase separation and second-order phase transition in the phenomenological model for a Coulomb-frustrated two-dimensional system

NASA Astrophysics Data System (ADS)

Mamin, R. F.; Shaposhnikova, T. S.; Kabanov, V. V.

2018-03-01

We have considered the model of the phase transition of the second order for the Coulomb frustrated 2D charged system. The coupling of the order parameter with the charge was considered as the local temperature. We have found that in such a system, an appearance of the phase-separated state is possible. By numerical simulation, we have obtained different types ("stripes," "rings," "snakes") of phase-separated states and determined the parameter ranges for these states. Thus the system undergoes a series of phase transitions when the temperature decreases. First, the system moves from the homogeneous state with a zero order parameter to the phase-separated state with two phases in one of which the order parameter is zero and, in the other, it is nonzero (τ >0 ). Then a first-order transition occurs to another phase-separated state, in which both phases have different and nonzero values of the order parameter (for τ <0 ). Only a further decrease of temperature leads to a transition to a homogeneous ordered state.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meyers, D.; Liu, Jian; Freeland, J. W.

We observed complex materials in electronic phases and transitions between them often involve coupling between many degrees of freedom whose entanglement convolutes understanding of the instigating mechanism. Metal-insulator transitions are one such problem where coupling to the structural, orbital, charge, and magnetic order parameters frequently obscures the underlying physics. We demonstrate a way to unravel this conundrum by heterostructuring a prototypical multi-ordered complex oxide NdNiO3 in ultra thin geometry, which preserves the metal-to-insulator transition and bulk-like magnetic order parameter, but entirely suppresses the symmetry lowering and long-range charge order parameter. Furthermore, these findings illustrate the utility of heterointerfaces as amore » powerful method for removing competing order parameters to gain greater insight into the nature of the transition, here revealing that the magnetic order generates the transition independently, leading to an exceptionally rare purely electronic metal-insulator transition with no symmetry change.« less

Pure electronic metal-insulator transition at the interface of complex oxides

DOE PAGES

Meyers, D.; Liu, Jian; Freeland, J. W.; ...

2016-06-21

We observed complex materials in electronic phases and transitions between them often involve coupling between many degrees of freedom whose entanglement convolutes understanding of the instigating mechanism. Metal-insulator transitions are one such problem where coupling to the structural, orbital, charge, and magnetic order parameters frequently obscures the underlying physics. We demonstrate a way to unravel this conundrum by heterostructuring a prototypical multi-ordered complex oxide NdNiO3 in ultra thin geometry, which preserves the metal-to-insulator transition and bulk-like magnetic order parameter, but entirely suppresses the symmetry lowering and long-range charge order parameter. Furthermore, these findings illustrate the utility of heterointerfaces as amore » powerful method for removing competing order parameters to gain greater insight into the nature of the transition, here revealing that the magnetic order generates the transition independently, leading to an exceptionally rare purely electronic metal-insulator transition with no symmetry change.« less

[Degradation of oxytetracycline in chicken feces aerobic-composting and its effects on their related parameters].

PubMed

Wang, Gui-Zhen; Li, Zhao-Jun; Zhang, Shu-Qing; Ma, Xiao-Tong; Liang, Yong-Chao

2013-02-01

In order to illustrate the degradation of tetracyclines (TCs) and their influences on process parameters during the period of chicken feces aerobic-composting, the degradation of oxytetracycline (OTC), a kind of TCs and its effects on parameters during the period of chick feces aerobic-composting including temperature, pH, and germination index were investigated using the method of aerobic-composting. The contents of OTC decreased gradually with composting time. The degradation rate was high before 10 d, and then decreased gradually. The differences in OTC degradation among the OTC treatments were also found. The degradation rate of OTC was higher at the level of 25 mg.kg-1, than that of other levels. The degradation curve of OTC could be described by the first-order kinetic model, and the correlation coefficients ranged from 0. 911 1 to 0. 9913. The impacts of OTC on chick feces composting were found. OTC could decrease the rising rate of composting temperature and make the high temperature (> or =50 degrees C) period shorter than that of the control. The values of pH, TN, WSC, and the content of NH: -N of composting were 4.58%, 12.62%, 49.06%, and 35.30% higher than those of the control. The impacts of OTC on maturity of chicken feces composting was not found when the OTC addition contents were lower than 50 mg.kg-1. However, the strong impacts of OTC on maturity of chicken feces composting were found when the OTC addition contents were higher than 50 mg.kg-1. The rates of NH+4 -N to NO-3 -N, and GI were much higher than 0. 5 and lower than 80% , respectively. Theses results suggest that OTC have strong impacts on chicken feces composting when the contents of TOC was higher than 50 mg.kg-1, although OTC have the short half-life period ranged from 1.79-4.88 d.

Quantum Multicriticality near the Dirac-Semimetal to Band-Insulator Critical Point in Two Dimensions: A Controlled Ascent from One Dimension

NASA Astrophysics Data System (ADS)

Roy, Bitan; Foster, Matthew S.

2018-01-01

We compute the effects of generic short-range interactions on gapless electrons residing at the quantum critical point separating a two-dimensional Dirac semimetal and a symmetry-preserving band insulator. The electronic dispersion at this critical point is anisotropic (Ek=±√{v2kx2+b2ky2 n } with n =2 ), which results in unconventional scaling of thermodynamic and transport quantities. Because of the vanishing density of states [ϱ (E )˜|E |1 /n ], this anisotropic semimetal (ASM) is stable against weak short-range interactions. However, for stronger interactions, the direct Dirac-semimetal to band-insulator transition can either (i) become a fluctuation-driven first-order transition (although unlikely in a particular microscopic model considered here, the anisotropic honeycomb lattice extended Hubbard model) or (ii) get avoided by an intervening broken-symmetry phase. We perform a controlled renormalization group analysis with the small parameter ɛ =1 /n , augmented with a 1 /n expansion (parametrically suppressing quantum fluctuations in the higher dimension) by perturbing away from the one-dimensional limit, realized by setting ɛ =0 and n →∞ . We identify charge density wave (CDW), antiferromagnet (AFM), and singlet s -wave superconductivity as the three dominant candidates for broken symmetry. The onset of any such order at strong coupling (˜ɛ ) takes place through a continuous quantum phase transition across an interacting multicritical point, where the ordered phase, band insulator, Dirac, and anisotropic semimetals meet. We also present the phase diagram of an extended Hubbard model for the ASM, obtained via the controlled deformation of its counterpart in one dimension. The latter displays spin-charge separation and instabilities to CDW, spin density wave, and Luther-Emery liquid phases at arbitrarily weak coupling. The spin density wave and Luther-Emery liquid phases deform into pseudospin SU(2)-symmetric quantum critical points separating the ASM from the AFM and superconducting orders, respectively. Our phase diagram shows an intriguing interplay among CDW, AFM, and s -wave paired states that can be germane for a uniaxially strained optical honeycomb lattice for ultracold fermion atoms, or the organic compound α -(BEDT -TTF )2I3 .

Interplay between intramolecular and intermolecular structures of 1,1,2,2-tetrachloro-1,2-difluoroethane

NASA Astrophysics Data System (ADS)

Rovira-Esteva, M.; Murugan, N. A.; Pardo, L. C.; Busch, S.; Tamarit, J. Ll.; Pothoczki, Sz.; Cuello, G. J.; Bermejo, F. J.

2011-08-01

We report on the interplay between the short-range order of molecules in the liquid phase of 1,1,2,2-tetrachloro-1,2-difluoroethane and the possible molecular conformations, trans and gauche. Two complementary approaches have been used to get a comprehensive picture: analysis of neutron-diffraction data by a Bayesian fit algorithm and a molecular dynamics simulation. The results of both show that the population of trans and gauche conformers in the liquid state can only correspond to the gauche conformer being more stable than the trans conformer. Distinct conformer geometries induce distinct molecular short-range orders around them, suggesting that a deep intra- and intermolecular interaction coupling is energetically favoring one of the conformers by reducing the total molecular free energy.

Characterization of human passive muscles for impact loads using genetic algorithm and inverse finite element methods.

PubMed

Chawla, A; Mukherjee, S; Karthikeyan, B

2009-02-01

The objective of this study is to identify the dynamic material properties of human passive muscle tissues for the strain rates relevant to automobile crashes. A novel methodology involving genetic algorithm (GA) and finite element method is implemented to estimate the material parameters by inverse mapping the impact test data. Isolated unconfined impact tests for average strain rates ranging from 136 s(-1) to 262 s(-1) are performed on muscle tissues. Passive muscle tissues are modelled as isotropic, linear and viscoelastic material using three-element Zener model available in PAMCRASH(TM) explicit finite element software. In the GA based identification process, fitness values are calculated by comparing the estimated finite element forces with the measured experimental forces. Linear viscoelastic material parameters (bulk modulus, short term shear modulus and long term shear modulus) are thus identified at strain rates 136 s(-1), 183 s(-1) and 262 s(-1) for modelling muscles. Extracted optimal parameters from this study are comparable with reported parameters in literature. Bulk modulus and short term shear modulus are found to be more influential in predicting the stress-strain response than long term shear modulus for the considered strain rates. Variations within the set of parameters identified at different strain rates indicate the need for new or improved material model, which is capable of capturing the strain rate dependency of passive muscle response with single set of material parameters for wide range of strain rates.

cDF Theory Software for mesoscopic modeling of equilibrium and transport phenomena

DOE Office of Scientific and Technical Information (OSTI.GOV)

2015-12-01

The approach is based on classical Density Functional Theory ((cDFT) coupled with the Poisson-Nernst-Planck (PNP) transport kinetics model and quantum mechanical description of short-range interaction and elementary transport processes. The model we proposed and implemented is fully atomistic, taking into account pairwise short-range and manybody long-range interactions. But in contrast to standard molecular dynamics (MD) simulations, where long-range manybody interactions are evaluated as a sum of pair-wise atom-atom contributions, we include them analytically based on wellestablished theories of electrostatic and excluded volume interactions in multicomponent systems. This feature of the PNP/cDFT approach allows us to reach well beyond the length-scalesmore » accessible to MD simulations, while retaining the essential physics of interatomic interactions from first principles and in a parameter-free fashion.« less

Competition between crystallization and glassification for particles with short-ranged attraction. Possible applications to protein crystallization

NASA Astrophysics Data System (ADS)

Zaccarelli, E.; Sciortino, F.; Tartaglia, P.; Foffi, G.; McCullagh, G. D.; Lawlor, A.; Dawson, K. A.

2002-11-01

We discuss the phase behaviour of spherical hard-core particles, with an attractive potential, as described by a hard-core Yukawa model. The ratio of the range of the attraction to the diameter of the particles is an important control parameter of the problem. Upon decreasing the range of the attraction, the phase diagram changes quite significantly, with the liquid-gas transition becoming metastable, and the crystal being in equilibrium with the fluid, with no intervening liquid. We also study the glass transition lines and, crucially, find that the situation, being very simple for pure repulsive potentials, becomes much richer in competition between glass and crystal phases for short-range attractions. Also a transition between attractive and repulsive glass appears somewhat in analogy with the isostructural equilibrium transition between two crystals.

Myocardial short-range force responses increase with age in F344 rats

PubMed Central

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

Experimental investigation of the ordering pathway in a Ni-33 at.%Cr alloy

DOE PAGES

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

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

Two-dimensional melting of colloids with long-range attractive interactions.

PubMed

Du, Di; Doxastakis, Manolis; Hilou, Elaa; Biswal, Sibani Lisa

2017-02-22

The solid-liquid melting transition in a two-dimensional (2-D) attractive colloidal system is visualized using superparamagnetic colloids that interact through a long-range isotropic attractive interaction potential, which is induced using a high-frequency rotating magnetic field. Various experiments, supported by Monte Carlo simulations, are carried out over a range of interaction potentials and densities to determine structure factors, Lindermann parameters, and translational and orientational order parameters. The system shows a first-order solid-liquid melting transition. Simulations and experiments suggest that dislocations and disclinations simultaneously unbind during melting. This is in direct contrast with reports of 2-D melting of paramagnetic particles that interact with a repulsive interaction potential.

Damping of short gravity-capillary waves due to oil derivatives film on the water surface

NASA Astrophysics Data System (ADS)

Sergievskaya, Irina; Ermakov, Stanislav; Lazareva, Tatyana

2016-10-01

In this paper new results of laboratory studies of damping of gravity-capillary waves on the water surface covered by kerosene are presented and compared with our previous analysis of characteristics of crude oil and diesel fuel films. Investigations of kerosene films were carried out in a wide range values of film thicknesses (from some hundreds millimetres to a few millimetres) and in a wide range of surface wave frequencies (from 10 to 27 Hz). The selected frequency range corresponds to the operating wavelengths of microwave, X- to Ka-band radars typically used for the ocean remote sensing. The studied range of film thickness covers typical thicknesses of routine spills in the ocean. It is obtained that characteristics of waves, measured in the presence of oil derivatives films differ from those for crude oil films, in particular, because the volume viscosity of oil derivatives and crude oil is strongly different. To retrieve parameters of kerosene films from the experimental data the surface wave damping was analyzed theoretically in the frame of a model of two-layer fluid. The films are assumed to be soluble, so the elasticity on the upper and lower boundaries is considered as a function of wave frequency. Physical parameters of oil derivative films were estimated when tuning the film parameters to fit theory and experiment. Comparison between wave damping due to crude oil, kerosene and diesel fuel films have shown some capabilities of distinguishing of oil films from remote sensing of short surface waves.

TRIGGERING COLLAPSE OF THE PRESOLAR DENSE CLOUD CORE AND INJECTING SHORT-LIVED RADIOISOTOPES WITH A SHOCK WAVE. II. VARIED SHOCK WAVE AND CLOUD CORE PARAMETERS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boss, Alan P.; Keiser, Sandra A., E-mail: boss@dtm.ciw.edu, E-mail: keiser@dtm.ciw.edu

2013-06-10

A variety of stellar sources have been proposed for the origin of the short-lived radioisotopes that existed at the time of the formation of the earliest solar system solids, including Type II supernovae (SNe), asymptotic giant branch (AGB) and super-AGB stars, and Wolf-Rayet star winds. Our previous adaptive mesh hydrodynamics models with the FLASH2.5 code have shown which combinations of shock wave parameters are able to simultaneously trigger the gravitational collapse of a target dense cloud core and inject significant amounts of shock wave gas and dust, showing that thin SN shocks may be uniquely suited for the task. However,more » recent meteoritical studies have weakened the case for a direct SN injection to the presolar cloud, motivating us to re-examine a wider range of shock wave and cloud core parameters, including rotation, in order to better estimate the injection efficiencies for a variety of stellar sources. We find that SN shocks remain as the most promising stellar source, though planetary nebulae resulting from AGB star evolution cannot be conclusively ruled out. Wolf-Rayet (WR) star winds, however, are likely to lead to cloud core shredding, rather than to collapse. Injection efficiencies can be increased when the cloud is rotating about an axis aligned with the direction of the shock wave, by as much as a factor of {approx}10. The amount of gas and dust accreted from the post-shock wind can exceed that injected from the shock wave, with implications for the isotopic abundances expected for a SN source.« less

Electronic structure, dielectric response, and surface charge distribution of RGD (1FUV) peptide.

PubMed

Adhikari, Puja; Wen, Amy M; French, Roger H; Parsegian, V Adrian; Steinmetz, Nicole F; Podgornik, Rudolf; Ching, Wai-Yim

2014-07-08

Long and short range molecular interactions govern molecular recognition and self-assembly of biological macromolecules. Microscopic parameters in the theories of these molecular interactions are either phenomenological or need to be calculated within a microscopic theory. We report a unified methodology for the ab initio quantum mechanical (QM) calculation that yields all the microscopic parameters, namely the partial charges as well as the frequency-dependent dielectric response function, that can then be taken as input for macroscopic theories of electrostatic, polar, and van der Waals-London dispersion intermolecular forces. We apply this methodology to obtain the electronic structure of the cyclic tripeptide RGD-4C (1FUV). This ab initio unified methodology yields the relevant parameters entering the long range interactions of biological macromolecules, providing accurate data for the partial charge distribution and the frequency-dependent dielectric response function of this peptide. These microscopic parameters determine the range and strength of the intricate intermolecular interactions between potential docking sites of the RGD-4C ligand and its integrin receptor.

Minimally nonlocal nucleon-nucleon potentials with chiral two-pion exchange including Δ resonances

DOE Office of Scientific and Technical Information (OSTI.GOV)

Piarulli, M.; Girlanda, L.; Schiavilla, R.

In this study, we construct a coordinate-space chiral potential, including Δ-isobar intermediate states in its two-pion-exchange component up to order Q 3 (Q denotes generically the low momentum scale). The contact interactions entering at next-to-leading and next-to-next-to-next-to-leading orders (Q 2 and Q 4, respectively) are rearranged by Fierz transformations to yield terms at most quadratic in the relative momentum operator of the two nucleons. The low-energy constant multiplying these contact interactions are fitted to the 2013 Granada database, consisting of 2309 pp and 2982 np data (including, respectively, 148 and 218 normalizations) in the laboratory-energy range 0–300 MeV. For themore » total 5291 $pp$ and $np$ data in this range, we obtain a Χ 2 /datum of roughly 1.3 for a set of three models characterized by long- and short-range cutoffs, R L and R S respectively, ranging from (R L,R S)=(1.2,0.8) fm down to (0.8,0.6) fm. The long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.« less

Minimally nonlocal nucleon-nucleon potentials with chiral two-pion exchange including Δ resonances

DOE PAGES

Piarulli, M.; Girlanda, L.; Schiavilla, R.; ...

2015-02-26

In this study, we construct a coordinate-space chiral potential, including Δ-isobar intermediate states in its two-pion-exchange component up to order Q 3 (Q denotes generically the low momentum scale). The contact interactions entering at next-to-leading and next-to-next-to-next-to-leading orders (Q 2 and Q 4, respectively) are rearranged by Fierz transformations to yield terms at most quadratic in the relative momentum operator of the two nucleons. The low-energy constant multiplying these contact interactions are fitted to the 2013 Granada database, consisting of 2309 pp and 2982 np data (including, respectively, 148 and 218 normalizations) in the laboratory-energy range 0–300 MeV. For themore » total 5291 $pp$ and $np$ data in this range, we obtain a Χ 2 /datum of roughly 1.3 for a set of three models characterized by long- and short-range cutoffs, R L and R S respectively, ranging from (R L,R S)=(1.2,0.8) fm down to (0.8,0.6) fm. The long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.« less

Time series smoother for effect detection.

PubMed

You, Cheng; Lin, Dennis K J; Young, S Stanley

2018-01-01

In environmental epidemiology, it is often encountered that multiple time series data with a long-term trend, including seasonality, cannot be fully adjusted by the observed covariates. The long-term trend is difficult to separate from abnormal short-term signals of interest. This paper addresses how to estimate the long-term trend in order to recover short-term signals. Our case study demonstrates that the current spline smoothing methods can result in significant positive and negative cross-correlations from the same dataset, depending on how the smoothing parameters are chosen. To circumvent this dilemma, three classes of time series smoothers are proposed to detrend time series data. These smoothers do not require fine tuning of parameters and can be applied to recover short-term signals. The properties of these smoothers are shown with both a case study using a factorial design and a simulation study using datasets generated from the original dataset. General guidelines are provided on how to discover short-term signals from time series with a long-term trend. The benefit of this research is that a problem is identified and characteristics of possible solutions are determined.

Time series smoother for effect detection

PubMed Central

Lin, Dennis K. J.; Young, S. Stanley

2018-01-01

In environmental epidemiology, it is often encountered that multiple time series data with a long-term trend, including seasonality, cannot be fully adjusted by the observed covariates. The long-term trend is difficult to separate from abnormal short-term signals of interest. This paper addresses how to estimate the long-term trend in order to recover short-term signals. Our case study demonstrates that the current spline smoothing methods can result in significant positive and negative cross-correlations from the same dataset, depending on how the smoothing parameters are chosen. To circumvent this dilemma, three classes of time series smoothers are proposed to detrend time series data. These smoothers do not require fine tuning of parameters and can be applied to recover short-term signals. The properties of these smoothers are shown with both a case study using a factorial design and a simulation study using datasets generated from the original dataset. General guidelines are provided on how to discover short-term signals from time series with a long-term trend. The benefit of this research is that a problem is identified and characteristics of possible solutions are determined. PMID:29684033

A new fitting method for measurement of the curvature radius of a short arc with high precision

NASA Astrophysics Data System (ADS)

Tao, Wei; Zhong, Hong; Chen, Xiao; Selami, Yassine; Zhao, Hui

2018-07-01

The measurement of an object with a short arc is widely encountered in scientific research and industrial production. As the most classic method of arc fitting, the least squares fitting method suffers from low precision when it is used for measurement of arcs with smaller central angles and fewer sampling points. The shorter the arc, the lower is the measurement accuracy. In order to improve the measurement precision of short arcs, a parameter constrained fitting method based on a four-parameter circle equation is proposed in this paper. The generalized Lagrange function was introduced together with the optimization by gradient descent method to reduce the influence from noise. The simulation and experimental results showed that the proposed method has high precision even when the central angle drops below 4° and it has good robustness when the noise standard deviation rises to 0.4 mm. This new fitting method is suitable for the high precision measurement of short arcs with smaller central angles without any prior information.

Frequency-specific insight into short-term memory capacity.

PubMed

Feurra, Matteo; Galli, Giulia; Pavone, Enea Francesco; Rossi, Alessandro; Rossi, Simone

2016-07-01

The digit span is one of the most widely used memory tests in clinical and experimental neuropsychology for reliably measuring short-term memory capacity. In the forward version, sequences of digits of increasing length have to be reproduced in the order in which they are presented, whereas in the backward version items must be reproduced in the reversed order. Here, we assessed whether transcranial alternating current stimulation (tACS) increases the memory span for digits of young and midlife adults. Imperceptibly weak electrical currents in the alpha (10 Hz), beta (20 Hz), theta (5 Hz), and gamma (40 Hz) range, as well as a sham stimulation, were delivered over the left posterior parietal cortex, a cortical region thought to sustain maintenance processes in short-term memory through oscillatory brain activity in the beta range. We showed a frequency-specific effect of beta-tACS that robustly increased the forward memory span of young, but not middle-aged, healthy individuals. The effect correlated with age: the younger the subjects, the greater the benefit arising from parietal beta stimulation. Our results provide evidence of a short-term memory capacity improvement in young adults by online frequency-specific tACS application. Copyright © 2016 the American Physiological Society.

ECHO: A reference-free short-read error correction algorithm

PubMed Central

Kao, Wei-Chun; Chan, Andrew H.; Song, Yun S.

2011-01-01

Developing accurate, scalable algorithms to improve data quality is an important computational challenge associated with recent advances in high-throughput sequencing technology. In this study, a novel error-correction algorithm, called ECHO, is introduced for correcting base-call errors in short-reads, without the need of a reference genome. Unlike most previous methods, ECHO does not require the user to specify parameters of which optimal values are typically unknown a priori. ECHO automatically sets the parameters in the assumed model and estimates error characteristics specific to each sequencing run, while maintaining a running time that is within the range of practical use. ECHO is based on a probabilistic model and is able to assign a quality score to each corrected base. Furthermore, it explicitly models heterozygosity in diploid genomes and provides a reference-free method for detecting bases that originated from heterozygous sites. On both real and simulated data, ECHO is able to improve the accuracy of previous error-correction methods by several folds to an order of magnitude, depending on the sequence coverage depth and the position in the read. The improvement is most pronounced toward the end of the read, where previous methods become noticeably less effective. Using a whole-genome yeast data set, it is demonstrated here that ECHO is capable of coping with nonuniform coverage. Also, it is shown that using ECHO to perform error correction as a preprocessing step considerably facilitates de novo assembly, particularly in the case of low-to-moderate sequence coverage depth. PMID:21482625

Changes in conformational dynamics of basic side chains upon protein-DNA association.

PubMed

Esadze, Alexandre; Chen, Chuanying; Zandarashvili, Levani; Roy, Sourav; Pettitt, B Montgometry; Iwahara, Junji

2016-08-19

Basic side chains play major roles in recognition of nucleic acids by proteins. However, dynamic properties of these positively charged side chains are not well understood. In this work, we studied changes in conformational dynamics of basic side chains upon protein-DNA association for the zinc-finger protein Egr-1. By nuclear magnetic resonance (NMR) spectroscopy, we characterized the dynamics of all side-chain cationic groups in the free protein and in the complex with target DNA. Our NMR order parameters indicate that the arginine guanidino groups interacting with DNA bases are strongly immobilized, forming rigid interfaces. Despite the strong short-range electrostatic interactions, the majority of the basic side chains interacting with the DNA phosphates exhibited high mobility, forming dynamic interfaces. In particular, the lysine side-chain amino groups exhibited only small changes in the order parameters upon DNA-binding. We found a similar trend in the molecular dynamics (MD) simulations for the free Egr-1 and the Egr-1-DNA complex. Using the MD trajectories, we also analyzed side-chain conformational entropy. The interfacial arginine side chains exhibited substantial entropic loss upon binding to DNA, whereas the interfacial lysine side chains showed relatively small changes in conformational entropy. These data illustrate different dynamic characteristics of the interfacial arginine and lysine side chains. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Surface Majorana fermions and bulk collective modes in superfluid 3He-B

NASA Astrophysics Data System (ADS)

Park, YeJe; Chung, Suk Bum; Maciejko, Joseph

2015-02-01

The theoretical study of topological superfluids and superconductors has so far been carried out largely as a translation of the theory of noninteracting topological insulators into the superfluid language, whereby one replaces electrons by Bogoliubov quasiparticles and single-particle band Hamiltonians by Bogoliubov-de Gennes Hamiltonians. Band insulators and superfluids are, however, fundamentally different: While the former exist in the absence of interparticle interactions, the latter are broken symmetry states that owe their very existence to such interactions. In particular, unlike the static energy gap of a band insulator, the gap in a superfluid is due to a dynamical order parameter that is subject to both thermal and quantum fluctuations. In this work, we explore the consequences of bulk quantum fluctuations of the order parameter in the B phase of superfluid 3He on the topologically protected Majorana surface states. Neglecting the high-energy amplitude modes, we find that one of the three spin-orbit Goldstone modes in 3He-B couples to the surface Majorana fermions. This coupling in turn induces an effective short-range two-body interaction between the Majorana fermions, with coupling constant inversely proportional to the strength of the nuclear dipole-dipole interaction in bulk 3He. A mean-field theory suggests that the surface Majorana fermions in 3He-B may be in the vicinity of a metastable gapped time-reversal-symmetry-breaking phase.

Reliable prediction of three-body intermolecular interactions using dispersion-corrected second-order Møller-Plesset perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Yuanhang; Beran, Gregory J. O., E-mail: gregory.beran@ucr.edu

2015-07-28

Three-body and higher intermolecular interactions can play an important role in molecular condensed phases. Recent benchmark calculations found problematic behavior for many widely used density functional approximations in treating 3-body intermolecular interactions. Here, we demonstrate that the combination of second-order Møller-Plesset (MP2) perturbation theory plus short-range damped Axilrod-Teller-Muto (ATM) dispersion accurately describes 3-body interactions with reasonable computational cost. The empirical damping function used in the ATM dispersion term compensates both for the absence of higher-order dispersion contributions beyond the triple-dipole ATM term and non-additive short-range exchange terms which arise in third-order perturbation theory and beyond. Empirical damping enables this simplemore » model to out-perform a non-expanded coupled Kohn-Sham dispersion correction for 3-body intermolecular dispersion. The MP2 plus ATM dispersion model approaches the accuracy of O(N{sup 6}) methods like MP2.5 or even spin-component-scaled coupled cluster models for 3-body intermolecular interactions with only O(N{sup 5}) computational cost.« less

Acquiring Complex Focus-Marking: Finnish 4- to 5-Year-Olds Use Prosody and Word Order in Interaction

PubMed Central

Arnhold, Anja; Chen, Aoju; Järvikivi, Juhani

2016-01-01

Using a language game to elicit short sentences in various information structural conditions, we found that Finnish 4- to 5-year-olds already exhibit a characteristic interaction between prosody and word order in marking information structure. Providing insights into the acquisition of this complex system of interactions, the production data showed interesting parallels to adult speakers of Finnish on the one hand and to children acquiring other languages on the other hand. Analyzing a total of 571 sentences produced by 16 children, we found that children rarely adjusted input word order, but did systematically avoid marked OVS order in contrastive object focus condition. Focus condition also significantly affected four prosodic parameters, f0, duration, pauses and voice quality. Differing slightly from effects displayed in adult Finnish speech, the children produced larger f0 ranges for words in contrastive focus and smaller ones for unfocused words, varied only the duration of object constituents to be longer in focus and shorter in unfocused condition, inserted more pauses before and after focused constituents and systematically modified their use of non-modal voice quality only in utterances with narrow focus. Crucially, these effects were modulated by word order. In contrast to comparable data from children acquiring Germanic languages, the present findings reflect the more central role of word order and of interactions between word order and prosody in marking information structure in Finnish. Thus, the study highlights the role of the target language in determining linguistic development. PMID:27990130

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.

Colloquium: Zoo of quantum-topological phases of matter

NASA Astrophysics Data System (ADS)

Wen, Xiao-Gang

2017-10-01

What are topological phases of matter? First, they are phases of matter at zero temperature. Second, they have a nonzero energy gap for the excitations above the ground state. Third, they are disordered liquids that seem to have no feature. But those disordered liquids actually can have rich patterns of many-body entanglement representing new kinds of order. This Colloquium gives a simple introduction and a brief survey of topological phases of matter. First topological phases with topological order (i.e., with long-range entanglement) are discussed. Then topological phases without topological order (i.e., with short-range entanglement) are covered.

Structural-Phase Transformations of CuZn Alloy Under Thermal-Impact Cycling

NASA Astrophysics Data System (ADS)

Potekaev, A. I.; Chaplygina, A. A.; Kulagina, V. V.; Chaplygin, P. A.; Starostenkov, M. D.; Grinkevich, L. S.

2017-02-01

Using the Monte Carlo method, special features of structural - phase transformations in β-brass are investigated during thermal impact using thermal cycling as an example (a number of successive order - disorder and disorder - order phase transitions in the course of several heating - cooling cycles). It is shown that a unique hysteresis is observed after every heating and cooling cycle, whose presence indicates irreversibility of the processes, which suggests a difference in the structural - phase states both in the heating and cooling stages. A conclusion is drawn that the structural - phase transformations in the heating and cooling stages occur within different temperature intervals, where the thermodynamic stimuli of one or the other structural - phase state are low. This is also demonstrated both in the plots of configurational energy, long- and short-range order parameter, atomic structure variations, and structural - phase state distributions. Simultaneously, there coexist ordered and disordered phases and a certain collection of superstructure domains. This implies the presence of low - stability states in the vicinity of the order - disorder phase transition. The results of investigations demonstrate that the structural - phase transitions within two successive heating and cooling cycles at the same temperature are different in both stages. These changes, though not revolutionary, occur in every cycle and decrease with the increasing cycle number. In fact, the system undergoes training with a tendency towards a certain sequence of structural - phase states.

On-top density functionals for the short-range dynamic correlation between electrons of opposite and parallel spin

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.

Investigation of Universal Behavior in Symmetric Diblock Copolymer Melts

NASA Astrophysics Data System (ADS)

Medapuram, Pavani

Coarse-grained theories of dense polymer liquids such as block copolymer melts predict a universal dependence of equilibrium properties on a few dimensionless parameters. For symmetric diblock copolymer melts, such theories predict a universal dependence on only chieN and N¯, where chie is an effective interaction parameter, N is the degree of polymerization, and N¯ is a measure of overlap. This thesis focuses on testing the universal behavior hypothesis by comparing results for various properties obtained from different coarse-grained simulation models to each other. Specifically, results from pairs of simulations of different models that have been designed to have matched values of N¯ are compared over a range of values of chiN. The use of vastly different simulation models allows us to cover a vast range of chi eN ≃ 200 - 8000 that includes most of the experimentally relevant range. Properties studied here include collective and single-chain correlations in the disordered phase, block and chain radii of gyration in the disordered phase, the value of chieN at the order-disorder transition (ODT), the free energy per chain, the latent heat of transition, the layer spacing, the composition profile, and compression modulus in the ordered phase. All results strongly support the universal scaling hypothesis, even for rather short chains, confirming that it is indeed possible to give an accurate universal description of simulation models that differ in many details. The underlying universality becomes apparent, however, only if data are analyzed using an adequate estimate of chie, which we obtained by fitting the structure factor S( q) in the disordered state to predictions of the recently developed renormalized one-loop (ROL) theory. The ROL theory is shown to provide an excellent description of the dependence of S(q on chain length and thermodynamic conditions for all models, even for very short chains, if we allow for the existence of a nonlinear dependence of the effective interaction parameter chie upon the strength of the AB repulsion. The results show that behavior near the ODT exhibits a different character at moderate and high values of N¯, with a crossover near N¯ ≃ 104. Within the range N¯ ≤sssim 104 studied in this work, the ordered and disordered phases near the ODT both contain strongly segregated domains of nearly pure A and B, in contrast to the assumption of weak segregation underlying the Fredrickson-Helfand (FH) theory. In this regime, the FH theory is inaccurate and substantially underestimates the value of chieN at the ODT. Results for the highest values of N¯ studied here agree reasonably well with FH predictions, suggesting that the theory may be accurate for N¯ gtrsim 104. Self-consistent field theory (SCFT) grossly underestimates (chieN)ODT for modest N¯ because it cannot describe strong correlations in the disordered phase. SCFT is found, however, to yield accurate predictions for several properties of the ordered lamellar phase. A detailed quantitative comparison of experimental results to theoretical predictions and obtained simulations results is also presented. Experimental results for structure factor obtained from small-angle neutron and X-ray scattering (SANS and SAXS) measurements are analyzed using methods closely analogous to those used to analyze simulation results. Peak scattering intensity results of different chain lengths of a AB pair are fitted to the ROL theory predictions in order to estimate the effective interaction parameter chi e(T) of the chemical system. The resulting chi e(T) estimates are used to obtain ODT values (chieN)ODT of different experimental systems, which we compare to the scaling law obtained from simulation results and to theoretical predictions. The results are largely consistent with the expected systematic decrease with increasing N¯ and lie closer to the simulations scaling law than to any theoretical prediction. These results confirm the overwhelming importance of fluctuation effects in systems with modest values of N¯ = 102 - 103, and the usefulness of coarse-grained simulations as a starting point for quantitative modeling.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Shengtong; Chevrier, Daniel M.; Zhang, Peng

Amorphous intermediate phases are vital precursors in the crystallization of many biogenic minerals. While inherent short-range orders have been found in amorphous calcium carbonates (ACCs) relating to different crystalline forms, it has never been clarified experimentally whether such orders already exist in very small clusters less than 2 nm in size. Here, we studied the stability and structure of 10,12-pentacosadiynoic acid (PCDA) protected ACC clusters with a core size of ca. 1.4 nm consisting of only seven CaCO 3 units. Ligand concentration and structure are shown to be key factors in stabilizing the ACC clusters. More importantly, even in suchmore » small CaCO 3 entities, a proto-calcite short-range order can be identified but with a relatively high degree of disorder that arises from the very small size of the CaCO 3 core. Our findings support the notion of a structural link between prenucleation clusters, amorphous intermediates, and final crystalline polymorphs, which appears central to the understanding of polymorph selection.« less

Design and optimization of LCL-VSC grid-tied converter having short circuit fault current limiting ability

NASA Astrophysics Data System (ADS)

Liu, Mengqi; Liu, Haijun; Wang, Zhikai

2017-01-01

Traditional LCL grid-tied converters haven't the ability to limit the short-circuit fault current and only remove grid-connected converter using the breaker. However, the VSC converters become uncontrollable after the short circuit fault cutting off and the power switches may be damaged if the circuit breaker removes slowly. Compared to the filter function of the LCL passive components in traditional VSC converters, the novel LCL-VSC converter has the ability of limiting the short circuit fault current using the reasonable designed LCL parameters. In this paper the mathematical model of the LCL converter is established and the characteristics of the short circuit fault current generated by the ac side and dc side are analyzed. Thus one design and optimization scheme of the reasonable LCL passive parameter is proposed for the LCL-VSC converter having short circuit fault current limiting ability. In addition to ensuring the LCL passive components filtering the high-frequency harmonic, this scheme also considers the impedance characteristics to limit the fault current of AC and DC short circuit fault respectively flowing through the power switch no more than the maximum allowable operating current, in order to make the LCL converter working continuously. Finally, the 200kW simulation system is set up to prove the validity and feasibility of the theoretical analysis using the proposed design and optimization scheme.

Time-resolved fluorescence polarization spectroscopy of visible and near infrared dyes in picosecond dynamics

NASA Astrophysics Data System (ADS)

Pu, Yang; Alfano, Robert R.

2015-03-01

Near-infrared (NIR) dyes absorb and emit light within the range from 700 to 900 nm have several benefits in biological studies for one- and/or two-photon excitation for deeper penetration of tissues. These molecules undergo vibrational and rotational motion in the relaxation of the excited electronic states, Due to the less than ideal anisotropy behavior of NIR dyes stemming from the fluorophores elongated structures and short fluorescence lifetime in picosecond range, no significant efforts have been made to recognize the theory of these dyes in time-resolved polarization dynamics. In this study, the depolarization of the fluorescence due to emission from rotational deactivation in solution will be measured with the excitation of a linearly polarized femtosecond laser pulse and a streak camera. The theory, experiment and application of the ultrafast fluorescence polarization dynamics and anisotropy are illustrated with examples of two of the most important medical based dyes. One is NIR dye, namely Indocyanine Green (ICG) and is compared with Fluorescein which is in visible range with much longer lifetime. A set of first-order linear differential equations was developed to model fluorescence polarization dynamics of NIR dye in picosecond range. Using this model, the important parameters of ultrafast polarization spectroscopy were identified: risetime, initial time, fluorescence lifetime, and rotation times.

Long wavelength optical mode frequencies and the Anderson-Gruneisen parameter for alkali halide crystals

NASA Astrophysics Data System (ADS)

Gupta, A. P.; Shanker, Jai

1980-02-01

The relation between long wavelength optical mode frequencies and the Anderson-Gruneisen parameter δ for alkali halides studied by Madan suffers from a mathematical error which is rectified in the present communication. A theoretical analysis of δ is presented adopting six potential functions for the short range repulsion energy. Values of δ and γTO calculated from the Varshni-Shukla potential are found in closest agreement with experimental data.

Phonological working memory and reading in students with dyslexia

PubMed Central

de Carvalho, Carolina A. F.; Kida, Adriana de S. B.; Capellini, Simone A.; de Avila, Clara R. B.

2014-01-01

Purpose: To investigate parameters related to fluency, reading comprehension and phonological processing (operational and short-term memory) and identify potential correlation between the variables in Dyslexia and in the absence of reading difficulties. Method: One hundred and fifteen students from the third to eighth grade of elementary school were grouped into a Control Group (CG) and Group with Dyslexia (GDys). Reading of words, pseudowords and text (decoding); listening and reading comprehension; phonological short-term and working memory (repetition of pseudowords and Digit Span) were evaluated. Results: The comparison of the groups showed significant differences in decoding, phonological short-term memory (repetition of pseudowords) and answers to text-connecting questions (TC) on reading comprehension, with the worst performances identified for GDys. In this group there were negative correlations between pseudowords repetition and TC answers and total score, both on listening comprehension. No correlations were found between operational and short-term memory (Digit Span) and parameters of fluency and reading comprehension in dyslexia. For the sample without complaint, there were positive correlations between some parameters of reading fluency and repetition of pseudowords and also between answering literal questions in listening comprehension and repetition of digits on the direct and reverse order. There was no correlation with the parameters of reading comprehension. Conclusion: GDys and CG showed similar performance in listening comprehension and in understanding of explicit information and gap-filling inference on reading comprehension. Students of GDys showed worst performance in reading decoding, phonological short-term memory (pseudowords) and on inferences that depends on textual cohesion understanding in reading. There were negative correlations between pseudowords repetition and TC answers and total score, both in listening comprehension. PMID:25101021

Thermal rejuvenation in metallic glasses

NASA Astrophysics Data System (ADS)

Saida, Junji; Yamada, Rui; Wakeda, Masato; Ogata, Shigenobu

2017-12-01

Structural rejuvenation in metallic glasses by a thermal process (i.e. through recovery annealing) was investigated experimentally and theoretically for various alloy compositions. An increase in the potential energy, a decrease in the density, and a change in the local structure as well as mechanical softening were observed after thermal rejuvenation. Two parameters, one related to the annealing temperature, Ta/Tg, and the other related to the cooling rate during the recovery annealing process, Vc/Vi, were proposed to evaluate the rejuvenation phenomena. A rejuvenation map was constructed using these two parameters. Since the thermal history of metallic glasses is reset above 1.2Tg, accompanied by a change in the local structure, it is essential that the condition of Ta/Tg ≥ 1.2 is satisfied during annealing. The glassy structure transforms into a more disordered state with the decomposition of icosahedral short-range order within this temperature range. Therefore, a new glassy structure (rejuvenation) depending on the subsequent quenching rate is generated. Partial rejuvenation also occurs in a Zr55Al10Ni5Cu30 bulk metallic glass when annealing is performed at a low temperature (Ta/Tg 1.07) followed by rapid cooling. This behavior probably originates from disordering in the weakly bonded (loosely packed) region. This study provides a novel approach to improving the mechanical properties of metallic glasses by controlling their glassy structure.

An Adaptive Moving Target Imaging Method for Bistatic Forward-Looking SAR Using Keystone Transform and Optimization NLCS.

PubMed

Li, Zhongyu; Wu, Junjie; Huang, Yulin; Yang, Haiguang; Yang, Jianyu

2017-01-23

Bistatic forward-looking SAR (BFSAR) is a kind of bistatic synthetic aperture radar (SAR) system that can image forward-looking terrain in the flight direction of an aircraft. Until now, BFSAR imaging theories and methods for a stationary scene have been researched thoroughly. However, for moving-target imaging with BFSAR, the non-cooperative movement of the moving target induces some new issues: (I) large and unknown range cell migration (RCM) (including range walk and high-order RCM); (II) the spatial-variances of the Doppler parameters (including the Doppler centroid and high-order Doppler) are not only unknown, but also nonlinear for different point-scatterers. In this paper, we put forward an adaptive moving-target imaging method for BFSAR. First, the large and unknown range walk is corrected by applying keystone transform over the whole received echo, and then, the relationships among the unknown high-order RCM, the nonlinear spatial-variances of the Doppler parameters, and the speed of the mover, are established. After that, using an optimization nonlinear chirp scaling (NLCS) technique, not only can the unknown high-order RCM be accurately corrected, but also the nonlinear spatial-variances of the Doppler parameters can be balanced. At last, a high-order polynomial filter is applied to compress the whole azimuth data of the moving target. Numerical simulations verify the effectiveness of the proposed method.

Cooling rate effects in sodium silicate glasses: Bridging the gap between molecular dynamics simulations and experiments

NASA Astrophysics Data System (ADS)

Li, Xin; Song, Weiying; Yang, Kai; Krishnan, N. M. Anoop; Wang, Bu; Smedskjaer, Morten M.; Mauro, John C.; Sant, Gaurav; Balonis, Magdalena; Bauchy, Mathieu

2017-08-01

Although molecular dynamics (MD) simulations are commonly used to predict the structure and properties of glasses, they are intrinsically limited to short time scales, necessitating the use of fast cooling rates. It is therefore challenging to compare results from MD simulations to experimental results for glasses cooled on typical laboratory time scales. Based on MD simulations of a sodium silicate glass with varying cooling rate (from 0.01 to 100 K/ps), here we show that thermal history primarily affects the medium-range order structure, while the short-range order is largely unaffected over the range of cooling rates simulated. This results in a decoupling between the enthalpy and volume relaxation functions, where the enthalpy quickly plateaus as the cooling rate decreases, whereas density exhibits a slower relaxation. Finally, we show that, using the proper extrapolation method, the outcomes of MD simulations can be meaningfully compared to experimental values when extrapolated to slower cooling rates.

Ab initio molecular dynamics simulation of binary Cu64Zr36 bulk metallic glass: Validation of the cluster-plus-glue-atom model

NASA Astrophysics Data System (ADS)

Tian, Hua; Zhang, Chong; Wang, Lu; Zhao, JiJun; Dong, Chuang; Wen, Bin; Wang, Qing

2011-06-01

We have performed ab initio molecular dynamics simulation of Cu64Zr36 alloy at descending temperatures (from 2000 K to 400 K) and discussed the evolution of short-range order with temperature. The pair-correlation functions, coordination numbers, and chemical compositions of the most abundant local clusters have been analyzed. We found that icosahedral short-range order exists in the liquid, undercooled, and glass states, and it becomes dominant in the glass states. Moreover, we demonstrated the existence of Cu-centered Cu8Zr5 icosahedral clusters as the major local structural unit in the Cu64Zr36 amorphous alloy. This finding agrees well with our previous cluster model of Cu-Zr-based BMG as well as experimental evidences from synchrotron x ray and neutron diffraction measurements.

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

PubMed Central

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

2014-01-01

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

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

DOE PAGES

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

2014-11-17

Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn 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

An investigation of long and short range ion motions within the cluster morphology of electrolyte-containing perfluoro-sulfonate ionomer membranes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Su, S.

1992-01-01

An equivalent circuit model was postulated for PFSI (perfluoro-sulfanate-ionomer) polymers. It successfully models three different dielectric relaxation mechanisms taking place within long and short sidechain PFSI's in an alternating electric field. The three dielectric processes are long-range ion inter-cluster hopping in the low frequency region, short-range intra-cluster polarization occurred in frequencies at about 10[sup 3] to 10[sup 6] Hz, and Debye-like orientation of water molecules taking place at very high frequencies. When membranes are annealed in the proximity of the glass transition temperature of ionic clusters, the packing of sulfonate groups becomes more efficient. This is by the fact thatmore » the symmetrical parameter of the distribution of relaxation time of the Cole-Cole equation increases with annealing time. The cluster activities of the long and short sidechain polymers act differently in different electrolyte solutions. The sidechains of the long sidechain polymer act like a spring, it contracts while the material was equilibrated in low concentration solutions and it expands as equilibrated in concentrated solutions. The cluster dimension of the long sidechain material does not vary too much. The cluster dimension of short sidechain polymers can vary significantly on different electrolyte solutions.« less

Coexistence of ferromagnetism and superconductivity in iron based pnictides: a time resolved magnetooptical study.

PubMed

Pogrebna, A; Mertelj, T; Vujičić, N; Cao, G; Xu, Z A; Mihailovic, D

2015-01-13

Ferromagnetism and superconductivity are antagonistic phenomena. Their coexistence implies either a modulated ferromagnetic order parameter on a lengthscale shorter than the superconducting coherence length or a weak exchange coupling between the itinerant superconducting electrons and the localized ordered spins. In some iron based pnictide superconductors the coexistence of ferromagnetism and superconductivity has been clearly demonstrated. The nature of the coexistence, however, remains elusive since no clear understanding of the spin structure in the superconducting state has been reached and the reports on the coupling strength are controversial. We show, by a direct optical pump-probe experiment, that the coupling is weak, since the transfer of the excess energy from the itinerant electrons to ordered localized spins is much slower than the electron-phonon relaxation, implying the coexistence without the short-lengthscale ferromagnetic order parameter modulation. Remarkably, the polarization analysis of the coherently excited spin wave response points towards a simple ferromagnetic ordering of spins with two distinct types of ferromagnetic domains.

Long-lived trimers in a quasi-two-dimensional Fermi system

NASA Astrophysics Data System (ADS)

Laird, Emma K.; Kirk, Thomas; Parish, Meera M.; Levinsen, Jesper

2018-04-01

We consider the problem of three distinguishable fermions confined to a quasi-two-dimensional (quasi-2D) geometry, where there is a strong harmonic potential in one direction. We go beyond previous theoretical work and investigate the three-body bound states (trimers) for the case where the two-body short-range interactions between fermions are unequal. Using the scattering parameters from experiments on ultracold 6Li atoms, we calculate the trimer spectrum throughout the crossover from two to three dimensions. We find that the deepest Efimov trimer in the 6Li system is unaffected by realistic quasi-2D confinements, while the first excited trimer smoothly evolves from a three-dimensional-like Efimov trimer to an extended 2D-like trimer as the attractive interactions are decreased. We furthermore compute the excited trimer wave function and quantify the stability of the trimer against decay into a dimer and an atom by determining the probability that three fermions approach each other at short distances. Our results indicate that the lifetime of the trimer can be enhanced by at least an order of magnitude in the quasi-2D geometry, thus opening the door to realizing long-lived trimers in three-component Fermi gases.

cm-scale variations of crystal orientation fabric in cold Alpine ice core from Colle Gnifetti

NASA Astrophysics Data System (ADS)

Kerch, Johanna; Weikusat, Ilka; Eisen, Olaf; Wagenbach, Dietmar; Erhardt, Tobias

2015-04-01

Analysis of the microstructural parameters of ice has been an important part of ice core analyses so far mainly in polar cores in order to obtain information about physical processes (e.g. deformation, recrystallisation) on the micro- and macro-scale within an ice body. More recently the influence of impurities and climatic conditions during snow accumulation on these processes has come into focus. A deeper understanding of how palaeoclimate proxies interact with physical properties of the ice matrix bears relevance for palaeoclimatic interpretations, improved geophysical measurement techniques and the furthering of ice dynamical modeling. Variations in microstructural parameters e.g. crystal orientation fabric or grain size can be observed on a scale of hundreds and tens of metres but also on a centimetre scale. The underlying processes are not necessarily the same on all scales. Especially for the short-scale variations many questions remain unanswered. We present results from a study that aims to investigate following hypotheses: 1. Variations in grain size and fabric, i.e. strong changes of the orientation of ice crystals with respect to the vertical, occur on a centimetre scale and can be observed in all depths of an ice core. 2. Palaeoclimate proxies like dust and impurities have an impact on the microstructural processes and thus are inducing the observed short-scale variations in grain size and fabric. 3. The interaction of proxies with the ice matrix leads to depth intervals that show correlating behaviour as well as ranges with anticorrelation between microstructural parameters and palaeoclimatic proxies. The respective processes need to be identified. Fabric Analyser measurements were conducted on more than 80 samples (total of 8 m) from different depth ranges of a cold Alpine ice core (72 m length) drilled in 2013 at Colle Gnifetti, Switzerland/Italy. Results were obtained by automatic image processing, providing estimates for grain size distributions and crystal orientation fabric, and comparison with data from continuous flow analysis of chemical impurities. A microstructural characterisation of the analysed core is presented with emphasis on the observed variations in crystal orientation fabric. The relevance of these results for palaeoclimate reconstruction and geophysical applications in ice are discussed.

Detection range enhancement using circularly polarized light in scattering environments for infrared wavelengths

DOE PAGES

van der Laan, J. D.; Sandia National Lab.; Scrymgeour, D. A.; ...

2015-03-13

We find for infrared wavelengths there are broad ranges of particle sizes and refractive indices that represent fog and rain where the use of circular polarization can persist to longer ranges than linear polarization. Using polarization tracking Monte Carlo simulations for varying particle size, wavelength, and refractive index, we show that for specific scene parameters circular polarization outperforms linear polarization in maintaining the intended polarization state for large optical depths. This enhancement with circular polarization can be exploited to improve range and target detection in obscurant environments that are important in many critical sensing applications. Specifically, circular polarization persists bettermore » than linear for radiation fog in the short-wave infrared, for advection fog in the short-wave infrared and the long-wave infrared, and large particle sizes of Sahara dust around the 4 micron wavelength.« less

Large-Scale Patterns in a Minimal Cognitive Flocking Model: Incidental Leaders, Nematic Patterns, and Aggregates

NASA Astrophysics Data System (ADS)

Barberis, Lucas; Peruani, Fernando

2016-12-01

We study a minimal cognitive flocking model, which assumes that the moving entities navigate using the available instantaneous visual information exclusively. The model consists of active particles, with no memory, that interact by a short-ranged, position-based, attractive force, which acts inside a vision cone (VC), and lack velocity-velocity alignment. We show that this active system can exhibit—due to the VC that breaks Newton's third law—various complex, large-scale, self-organized patterns. Depending on parameter values, we observe the emergence of aggregates or millinglike patterns, the formation of moving—locally polar—files with particles at the front of these structures acting as effective leaders, and the self-organization of particles into macroscopic nematic structures leading to long-ranged nematic order. Combining simulations and nonlinear field equations, we show that position-based active models, as the one analyzed here, represent a new class of active systems fundamentally different from other active systems, including velocity-alignment-based flocking systems. The reported results are of prime importance in the study, interpretation, and modeling of collective motion patterns in living and nonliving active systems.

Local structural aspects of metal-metal transition in IrTe2 from x-ray PDF

NASA Astrophysics Data System (ADS)

Yu, Runze; Abeykoon, Milinda; Zhou, Haidong; Yin, Weiguo; Bozin, Emil S.

Evolution of local atomic structure across the metal-metal transition in IrTe2 is explored by pair distribution function (PDF) analysis of x-ray total scattering data over 80 K

Large-Scale Patterns in a Minimal Cognitive Flocking Model: Incidental Leaders, Nematic Patterns, and Aggregates.

PubMed

Barberis, Lucas; Peruani, Fernando

2016-12-09

We study a minimal cognitive flocking model, which assumes that the moving entities navigate using the available instantaneous visual information exclusively. The model consists of active particles, with no memory, that interact by a short-ranged, position-based, attractive force, which acts inside a vision cone (VC), and lack velocity-velocity alignment. We show that this active system can exhibit-due to the VC that breaks Newton's third law-various complex, large-scale, self-organized patterns. Depending on parameter values, we observe the emergence of aggregates or millinglike patterns, the formation of moving-locally polar-files with particles at the front of these structures acting as effective leaders, and the self-organization of particles into macroscopic nematic structures leading to long-ranged nematic order. Combining simulations and nonlinear field equations, we show that position-based active models, as the one analyzed here, represent a new class of active systems fundamentally different from other active systems, including velocity-alignment-based flocking systems. The reported results are of prime importance in the study, interpretation, and modeling of collective motion patterns in living and nonliving active systems.

Comparative study of crystallization process in metallic melts using ab initio molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Debela, Tekalign T.; Wang, X. D.; Cao, Q. P.; Zhang, D. X.; Jiang, J. Z.

2017-05-01

The crystallization process of liquid metals is studied using ab initio molecular dynamics simulations. The evolution of short-range order during quenching in Pb and Zn liquids is compared with body-centered cubic (bcc) Nb and V, and hexagonal closed-packed (hcp) Mg. We found that the fraction and type of the short-range order depends on the system under consideration, in which the icosahedral symmetry seems to dominate in the body-centered cubic metals. Although the local atomic structures in stable liquids are similar, liquid hcp-like Zn, bcc-like Nb and V can be deeply supercooled far below its melting point before crystallization while the supercooled temperature range in liquid Pb is limited. Further investigations into the nucleation process reveal the process of polymorph selection. In the body-centered cubic systems, the polymorph selection occurs in the supercooled state before the nucleation is initiated, while in the closed-packed systems it starts at the time of onset of crystallization. Atoms with bcc-like lattices in all studied supercooled liquids are always detected before the polymorph selection. It is also found that the bond orientational ordering is strongly correlated with the crystallization process in supercooled Zn and Pb liquids.

Estimating order statistics of network degrees

NASA Astrophysics Data System (ADS)

Chu, J.; Nadarajah, S.

2018-01-01

We model the order statistics of network degrees of big data sets by a range of generalised beta distributions. A three parameter beta distribution due to Libby and Novick (1982) is shown to give the best overall fit for at least four big data sets. The fit of this distribution is significantly better than the fit suggested by Olhede and Wolfe (2012) across the whole range of order statistics for all four data sets.

On the representation of many-body interactions in water

DOE PAGES

Medders, Gregory R.; Gotz, Andreas W.; Morales, Miguel A.; ...

2015-09-09

Our recent work has shown that the many-body expansion of the interactionenergy can be used to develop analytical representations of global potential energy surfaces (PESs) for water. In this study, the role of short- and long-range interactions at different orders is investigated by analyzing water potentials that treat the leading terms of the many-body expansion through implicit (i.e., TTM3-F and TTM4-F PESs) and explicit (i.e., WHBB and MB-pol PESs) representations. Moreover, it is found that explicit short-range representations of 2-body and 3-body interactions along with a physically correct incorporation of short- and long-range contributions are necessary for an accurate representationmore » of the waterinteractions from the gas to the condensed phase. Likewise, a complete many-body representation of the dipole moment surface is found to be crucial to reproducing the correct intensities of the infrared spectrum of liquid water.« less

Possible mechanism to enhance spin-fluctuation-mediated superconductivity in two-dimensional organic conductor

NASA Astrophysics Data System (ADS)

Nonoyama, Yoshito; Maekawa, Yukiko; Kobayashi, Akito; Suzumura, Yoshikazu; Yamada, Jun-ichi

2008-10-01

Mechanisms of superconductivity in quasi-two-dimensional organic conductors have been investigated using an extended Hubbard model by using the transfer energies between BDA-TTP molecules for β-(BDA-TTP)2I3 based on the X-ray experiment data and the extended Hückel calculation. We obtain several mean-field solutions with charge orderings which may represent short-range orderings or low-energy fluctuations in the low-dimensional electronic system. In the pressure-temperature phase diagram, a charge ordered metal state almost degenerates with a normal metal state between an insulating phase with charge ordering and the normal metal phase. Using the random phase approximation (RPA) and the linearized gap equation, the transition temperature of the superconducting state is estimated for the charge-ordered metal state and the normal metal state. It is found that transition temperature of the superconductivity induced by spin fluctuations in the charge-ordered metal state is much higher than that of the normal metal state and that the superconductivity in the charge-ordered metal state is the gapless d-wave. This suggests that the short range charge ordering may also contribute to an enhancement of spin-fluctuation-mediated superconductivity. The difference in the superconducting states between β-(BDA-TTP)2I3 and β-(BDA-TTP)2SbF6 are briefly discussed.

Quality changes of pasteurised orange juice during storage: A kinetic study of specific parameters and their relation to colour instability.

PubMed

Wibowo, Scheling; Grauwet, Tara; Santiago, Jihan Santanina; Tomic, Jovana; Vervoort, Liesbeth; Hendrickx, Marc; Van Loey, Ann

2015-11-15

In view of understanding colour instability of pasteurised orange juice during storage, to the best of our knowledge, this study reports for the first time in a systematic and quantitative way on a range of changes in specific quality parameters as a function of time and as well as temperature (20-42 °C). A zero-order (°Brix, fructose, glucose), a first-order (vitamin C), a second-order (sucrose) and a fractional conversion model (oxygen) were selected to model the evolution of the parameters between parentheses. Activation energies ranged from 22 to 136 kJ mol(-1), HMF formation being the most temperature sensitive. High correlations were found between sugars, ascorbic acid, their degradation products (furfural and HMF) and total colour difference (ΔE(∗)). Based on PLS regression, the importance of the quality parameters for colour degradation was ranked relatively among each other: the acid-catalysed degradation of sugars and ascorbic acid degradation reactions appeared to be important for browning development in pasteurised orange juice during ambient storage. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

PubMed Central

2017-01-01

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

Direct Immersion Annealing of Thin Block Copolymer Films.

PubMed

Modi, Arvind; Bhaway, Sarang M; Vogt, Bryan D; Douglas, Jack F; Al-Enizi, Abdullah; Elzatahry, Ahmed; Sharma, Ashutosh; Karim, Alamgir

2015-10-07

We demonstrate ordering of thin block copolymer (BCP) films via direct immersion annealing (DIA) at enhanced rate leading to stable morphologies. The BCP films are immersed in carefully selected mixtures of good and marginal solvents that can impart enhanced polymer mobility, while inhibiting film dissolution. DIA is compatible with roll-to-roll assembly manufacturing and has distinct advantages over conventional thermal annealing and batch processing solvent-vapor annealing methods. We identify three solvent composition-dependent BCP film ordering regimes in DIA for the weakly interacting polystyrene-poly(methyl methacrylate) (PS-PMMA) system: rapid short-range order, optimal long-range order, and a film instability regime. Kinetic studies in the "optimal long-range order" processing regime as a function of temperature indicate a significant reduction of activation energy for BCP grain growth compared to oven annealing at conventional temperatures. An attractive feature of DIA is its robustness to ordering other BCP (e.g. PS-P2VP) and PS-PMMA systems exhibiting spherical, lamellar and cylindrical ordering.

Impacts of short-time scale water column variability on broadband high-frequency acoustic wave propagation

NASA Astrophysics Data System (ADS)

Eickmeier, Justin

Acoustical oceanography is one way to study the ocean, its internal layers, boundaries and all processes occurring within using underwater acoustics. Acoustical sensing techniques allows for the measurement of ocean processes from within that logistically or financially preclude traditional in-situ measurements. Acoustic signals propagate as pressure wavefronts from a source to a receiver through an ocean medium with variable physical parameters. The water column physical parameters that change acoustic wave propagation in the ocean include temperature, salinity, current, surface roughness, seafloor bathymetry, and vertical stratification over variable time scales. The impacts of short-time scale water column variability on acoustic wave propagation include coherent and incoherent surface reflections, wavefront arrival time delay, focusing or defocusing of the intensity of acoustic beams and refraction of acoustic rays. This study focuses on high-frequency broadband acoustic waves, and examines the influence of short-time scale water column variability on broadband high-frequency acoustics, wavefronts, from 7 to 28 kHz, in shallow water. Short-time scale variability is on the order of seconds to hours and the short-spatial scale variability is on the order of few centimeters. Experimental results were collected during an acoustic experiment along 100 m isobaths and data analysis was conducted using available acoustic wave propagation models. Three main topics are studied to show that acoustic waves are viable as a remote sensing tool to measure oceanographic parameters in shallow water. First, coherent surface reflections forming striation patterns, from multipath receptions, through rough surface interaction of broadband acoustic signals with the dynamic sea surface are analyzed. Matched filtered results of received acoustic waves are compared with a ray tracing numerical model using a sea surface boundary generated from measured water wave spectra at the time of signal propagation. It is determined that on a time scale of seconds, corresponding to typical periods of surface water waves, the arrival time of reflected acoustic signals from surface waves appear as striation patterns in measured data and can be accurately modelled by ray tracing. Second, changes in acoustic beam arrival angle and acoustic ray path influenced by isotherm depth oscillations are analyzed using an 8-element delay-sum beamformer. The results are compared with outputs from a two-dimensional (2-D) parabolic equation (PE) model using measured sound speed profiles (SSPs) in the water column. Using the method of beamforming on the received signal, the arrival time and angle of an acoustic beam was obtained for measured acoustic signals. It is determined that the acoustic ray path, acoustic beam intensity and angular spread are a function of vertical isotherm oscillations on a time scale of minutes and can be modeled accurately by a 2-D PE model. Third, a forward problem is introduced which uses acoustic wavefronts received on a vertical line array, 1.48 km from the source, in the lower part of the water column to infer range dependence or independence in the SSP. The matched filtering results of received acoustic wavefronts at all hydrophone depths are compared with a ray tracing routine augmented to calculate only direct path and bottom reflected signals. It is determined that the SSP range dependence can be inferred on a time scale of hours using an array of hydrophones spanning the water column. Sound speed profiles in the acoustic field were found to be range independent for 11 of the 23 hours in the measurements. A SSP cumulative reconstruction process, conducted from the seafloor to the sea surface, layer-by-layer, identifies critical segments in the SSP that define the ray path, arrival time and boundary interactions. Data-model comparison between matched filtered arrival time spread and arrival time output from the ray tracing was robust when the SSP measured at the receiver was input to the model. When the SSP measured nearest the source (at the same instant in time) was input to the ray tracing model, the data-model comparison was poor. It was determined that the cumulative sound speed change in the SSP near the source was 1.041 m/s greater than that of the SSP at the receiver and resulted in the poor data-model comparison. In this study, the influences on broadband acoustic wave propagation in the frequency range of 7 to 28 kHz of spatial and temporal changes in the oceanography of shallow water regions are addressed. Acoustic waves can be used as remote sensing tools to measure oceanographic parameters in shallow water and data-model comparison results show a direct relationship between the oceanographic variations and acoustic wave propagations.

First-principles-based kinetic Monte Carlo studies of diffusion of hydrogen in Ni–Al and Ni–Fe binary alloys

DOE PAGES

Tafen, De Nyago

2015-02-14

The diffusion of dilute hydrogen in fcc Ni–Al and Ni–Fe binary alloys was examined using kinetic Monte Carlo method with input kinetic parameters obtained from first-principles density functional theory. The simulation involves the implementation of computationally efficient energy barrier model that describes the configuration dependence of the hydrogen hopping. The predicted hydrogen diffusion coefficients in Ni and Ni 89.4Fe 10.6 are compared well with the available experimental data. In Ni–Al, the model predicts lower hydrogen diffusivity compared to that in Ni. Overall, diffusion prefactors and the effective activation energies of H in Ni–Fe and Ni–Al are concentration dependent of themore » alloying element. Furthermore, the changes in their values are the results of the short-range order (nearest-neighbor) effect on the interstitial diffusion of hydrogen in fcc Ni-based alloys.« less

Examination of Short- and Long-Range Atomic Order Nanocrystalline SiC and Diamond by Powder Diffraction Methods

NASA Technical Reports Server (NTRS)

Palosz, B.; Grzanka, E.; Stelmakh, S.; Gierlotka, S.; Weber, H.-P.; Proffen, T.; Palosz, W.

2002-01-01

The real atomic structure of nanocrystals determines unique, key properties of the materials. Determination of the structure presents a challenge due to inherent limitations of standard powder diffraction techniques when applied to nanocrystals. Alternate methodology of the structural analysis of nanocrystals (several nanometers in size) based on Bragg-like scattering and called the "apparent lattice parameter" (alp) is proposed. Application of the alp methodology to examination of the core-shell model of nanocrystals will be presented. The results of application of the alp method to structural analysis of several nanopowders were complemented by those obtained by determination of the Atomic Pair Distribution Function, PDF. Based on synchrotron and neutron diffraction data measured in a large diffraction vector of up to Q = 25 Angstroms(exp -1), the surface stresses in nanocrystalline diamond and SiC were evaluated.

Harmonic component detection: Optimized Spectral Kurtosis for operational modal analysis

NASA Astrophysics Data System (ADS)

Dion, J.-L.; Tawfiq, I.; Chevallier, G.

2012-01-01

This work is a contribution in the field of Operational Modal Analysis to identify the modal parameters of mechanical structures using only measured responses. The study deals with structural responses coupled with harmonic components amplitude and frequency modulated in a short range, a common combination for mechanical systems with engines and other rotating machines in operation. These harmonic components generate misleading data interpreted erroneously by the classical methods used in OMA. The present work attempts to differentiate maxima in spectra stemming from harmonic components and structural modes. The detection method proposed is based on the so-called Optimized Spectral Kurtosis and compared with others definitions of Spectral Kurtosis described in the literature. After a parametric study of the method, a critical study is performed on numerical simulations and then on an experimental structure in operation in order to assess the method's performance.

Energetics of a uranothorite (Th 1–xU xSiO 4) solid solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo, Xiaofeng; Szenknect, Stephanie; Mesbah, Adel

High-temperature oxide melt solution calorimetric measurements were completed to determine the enthalpies of formation of the uranothorite, (USiO 4) x–(ThSiO 4) 1–x, solid solution. Phase-pure samples with x values of 0, 0.11, 0.21, 0.35, 0.71, and 0.84 were prepared, purified, and characterized by powder X-ray diffraction, electron probe microanalysis, thermogravimetric analysis and differential scanning calorimetry coupled with in situ mass spectrometry, and high-temperature oxide melt solution calorimetry. This work confirms the energetic metastability of coffinite, USiO 4, and U-rich intermediate silicate phases with respect to a mixture of binary oxides. Furthermore, variations in unit cell parameters and negative excess volumesmore » of mixing, coupled with strongly exothermic enthalpies of mixing in the solid solution, suggest short-range cation ordering that can stabilize intermediate compositions, especially near x = 0.5.« less

Energetics of a uranothorite (Th 1–xU xSiO 4) solid solution

DOE PAGES

Guo, Xiaofeng; Szenknect, Stephanie; Mesbah, Adel; ...

2016-10-11

High-temperature oxide melt solution calorimetric measurements were completed to determine the enthalpies of formation of the uranothorite, (USiO 4) x–(ThSiO 4) 1–x, solid solution. Phase-pure samples with x values of 0, 0.11, 0.21, 0.35, 0.71, and 0.84 were prepared, purified, and characterized by powder X-ray diffraction, electron probe microanalysis, thermogravimetric analysis and differential scanning calorimetry coupled with in situ mass spectrometry, and high-temperature oxide melt solution calorimetry. This work confirms the energetic metastability of coffinite, USiO 4, and U-rich intermediate silicate phases with respect to a mixture of binary oxides. Furthermore, variations in unit cell parameters and negative excess volumesmore » of mixing, coupled with strongly exothermic enthalpies of mixing in the solid solution, suggest short-range cation ordering that can stabilize intermediate compositions, especially near x = 0.5.« less

Molecular dynamics simulations of oxide memory resistors (memristors).

PubMed

Savel'ev, S E; Alexandrov, A S; Bratkovsky, A M; Williams, R Stanley

2011-06-24

Reversible bipolar nanoswitches that can be set and read electronically in a solid-state two-terminal device are very promising for applications. We have performed molecular dynamics simulations that mimic systems with oxygen vacancies interacting via realistic potentials and driven by an external bias voltage. The competing short- and long-range interactions among charged mobile vacancies lead to density fluctuations and short-range ordering, while illustrating some aspects of observed experimental behavior, such as memristor polarity inversion. The simulations show that the 'localized conductive filaments' and 'uniform push/pull' models for memristive switching are actually two extremes of the one stochastic mechanism.

Raman spectroscopy of femtosecond multipulse irradiation of vitreous silica: Experiment and simulation

NASA Astrophysics Data System (ADS)

Shcheblanov, N. S.; Povarnitsyn, M. E.; Mishchik, K. N.; Tanguy, A.

2018-02-01

We report an experimental and numerical study of femtosecond multipulse laser-induced densification in vitreous silica (v -SiO2 ) and its signature in Raman spectra. We compare the experimental findings to the recently developed molecular dynamics (MD) approach accounting for bond breaking due to laser irradiation, together with a dynamical matrix approach and bond polarizability model based on first-principles calculations for the estimation of Raman spectra. We observe two stages of the laser-induced densification and Raman spectrum evolution: growth during several hundreds of pulses followed by further saturation. At the medium range, the network connectivity change in v -SiO2 is expressed in reduction of the major ring fractions leading to more compacted structure. With the help of the Sen and Thorpe model, we also study the short-range order transformation and derive the interbonding Si-O-Si angle change from the Raman measurements. Experimental findings are in excellent agreement with our MD simulations and hence support a bond-breaking mechanism of laser-induced densification. Thus, our modeling explains well the laser-induced changes both in the short-range order caused by the appearance of Si coordination defects and medium-range order connected to evolution of the ring distribution. Finally, our findings disclose similarities between sheared, permanently densified, and laser-induced glass and suggest interesting future experiments in order to clarify the impact of the thermomechanical history on glasses under shear, cold and hot compression, and laser-induced densification.

Bond lifetime and diffusion coefficient in colloids with short-range interactions.

PubMed

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.

On the determination of the glass forming ability of AlxZr1-x alloys using molecular dynamics, Monte Carlo simulations, and classical thermodynamics

NASA Astrophysics Data System (ADS)

Harvey, Jean-Philippe; Gheribi, Aïmen E.; Chartrand, Patrice

2012-10-01

In this work, the glass forming ability of Al-Zr alloys is quantified using Monte Carlo (MC) and molecular dynamic (MD) simulations as well as classical thermodynamic calculations. The total energy of each studied structure of the Al-Zr system is described using the modified embedded atom model in the second-nearest-neighbour formalism. The parameterized Al-Zr cross potential which has been extensively validated using available experimental and ab initio data for several solid structures and for the liquid phase is used to evaluate thermodynamic, structural, and physical properties of the glass state and of the fully disordered (FD) face-centered cubic (FCC) solid solution with no short range order (SRO). The local environment of the Al-Zr amorphous phase is identified to be similar to that of a FCC solid structure with short range chemical order. A new approach to model the Gibbs energy of the amorphous phase based on the cluster variation method in the tetrahedron approximation is presented. The Gibbs energy of the fully disordered FCC solid solution with no short range order is determined and compared to the Gibbs energy of the amorphous phase. According to our volumetric and energetic criteria defined in our work to evaluate the possible formation of a glass structure at room temperature and zero pressure, a glass forming range of (0.25≤XZr≤0.75) and of (0.21≤XZr≤0.75) are identified, respectively. All the available quantitative experimental data regarding the amorphization of Al-Zr alloys are compared to the prediction of our MD/MC simulations throughout this study.

Monolithically integrated quantum dot optical gain modulator with semiconductor optical amplifier for 10-Gb/s photonic transmission

NASA Astrophysics Data System (ADS)

Yamamoto, Naokatsu; Akahane, Kouichi; Umezawa, Toshimasa; Kawanishi, Tetsuya

2015-03-01

Short-range interconnection and/or data center networks require high capacity and a large number of channels in order to support numerous connections. Solutions employed to meet these requirements involve the use of alternative wavebands to increase the usable optical frequency range. We recently proposed the use of the T- and O-bands (Thousand band: 1000-1260 nm, Original band: 1260-1360 nm) as alternative wavebands because large optical frequency resources (>60 THz) can be easily employed. In addition, a simple and compact Gb/s-order high-speed optical modulator is a critical photonic device for short-range communications. Therefore, to develop an optical modulator that acts as a highfunctional photonic device, we focused on the use of self-assembled quantum dots (QDs) as a three-dimensional (3D) confined structure because QD structures are highly suitable for realizing broadband optical gain media in the T+O bands. In this study, we use the high-quality broadband QD optical gain to develop a monolithically integrated QD optical gain modulator (QD-OGM) device that has a semiconductor optical amplifier (QD-SOA) for Gb/s-order highspeed optical data generation in the 1.3-μm waveband. The insertion loss of the device can be compensated through the SOA, and we obtained an optical gain change of up to ~7 dB in the OGM section. Further, we successfully demonstrate a 10-Gb/s clear eye opening using the QD-OGM/SOA device with a clock-data recovery sequence at the receiver end. These results suggest that the monolithic QD-EOM/SOA is suitable for increasing the number of wavelength channels for smart short-range communications.

Effect of atmospheric parameters on silicon cell performance

NASA Technical Reports Server (NTRS)

Curtis, H. B.

1976-01-01

The effects of changing atmospheric parameters on the performance of a typical silicon solar cell were calculated. The precipitable water vapor content, airmass and turbidity were varied over wide ranges and the normal terrestrial distribution of spectral irradiance was studied. The cell short-circuit current was then computed for each spectral irradiance distribution using the cell spectral response. Data are presented in the form of calibration number (cell current/incident irradiance) vs. water vapor content or turbidity.

Temperature evolution of the local order parameter in relaxor ferroelectrics (1 - x)PMN-xPZT

NASA Astrophysics Data System (ADS)

Gridnev, S. A.; Glazunov, A. A.; Tsotsorin, A. N.

2005-09-01

The temperature dependence of the local order parameter and relaxation time distribution function have been determined in (1 - x)PMN-xPZT ceramic samples via dielectric permittivity. Above the Burns temperature, the permittivity was found to follow the Currie-Weiss law, and with temperature decreasing the deviation was observed to increase. A local order parameter was calculated from the dielectric data using a modified Landau-Devonshire approach. These results are compared to the distribution function of relaxation times. It was found that a glasslike freezing of reorientable polar clusters occurs in the temperature range of diffuse relaxor transition. The evolution of the studied system to more ordered state arises from the increased PZT content.

Ultrafast Self-Assembly of Sub-10 nm Block Copolymer Nanostructures by Solvent-Free High-Temperature Laser Annealing.

PubMed

Jiang, Jing; Jacobs, Alan G; Wenning, Brandon; Liedel, Clemens; Thompson, Michael O; Ober, Christopher K

2017-09-20

Laser spike annealing was applied to PS-b-PDMS diblock copolymers to induce short-time (millisecond time scale), high-temperature (300 to 700 °C) microphase segregation and directed self-assembly of sub-10 nm features. Conditions were identified that enabled uniform microphase separation in the time frame of tens of milliseconds. Microphase ordering improved with increased temperature and annealing time, whereas phase separation contrast was lost for very short annealing times at high temperature. PMMA brush underlayers aided ordering under otherwise identical laser annealing conditions. Good long-range order for sub-10 nm cylinder morphology was achieved using graphoepitaxy coupled with a 20 ms dwell laser spike anneal above 440 °C.

Short-pulse amplification by strongly coupled stimulated Brillouin scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Edwards, Matthew R., E-mail: mredward@princeton.edu; Mikhailova, Julia M.; Jia, Qing

2016-08-15

We examine the feasibility of strongly coupled stimulated Brillouin scattering as a mechanism for the plasma-based amplification of sub-picosecond pulses. In particular, we use fluid theory and particle-in-cell simulations to compare the relative advantages of Raman and Brillouin amplification over a broad range of achievable parameters.

Direct imaging of coexisting ordered and frustrated sublattices in artificial ferromagnetic quasicrystals

DOE PAGES

Farmer, B.; Bhat, V. S.; Balk, A.; ...

2016-04-25

Here, we have used scanning electron microscopy with polarization analysis and photoemission electron microscopy to image the two-dimensional magnetization of permalloy films patterned into Penrose P2 tilings (P2T). The interplay of exchange interactions in asymmetrically coordinated vertices and short-range dipole interactions among connected film segments stabilize magnetically ordered, spatially distinct sublattices that coexist with frustrated sublattices at room temperature. Numerical simulations that include long-range dipole interactions between sublattices agree with images of as-grown P2T samples and predict a magnetically ordered ground state for a two-dimensional quasicrystal lattice of classical Ising spins.

Effective-range parameters and vertex constants for Λ-nuclear systems

NASA Astrophysics Data System (ADS)

Rakityansky, S. A.; Gopane, I. M.

For a wide range of the core-nuclei (6 ≤ A ≤ 207), the scattering lengths, effective radii, and the other effective-range parameters (up to the order ˜ k8) for the angular momentum ℓ = 0, 1, 2 are calculated within a two-body ΛA-model. For the same hypernuclear systems, the S-matrix residues as well as the corresponding Nuclear-Vertex and Asymptotic-Normalization constants (NVC’s and ANC’s) for the bound states are also found.

Order-disorder effects in structure and color relation of photonic-crystal-type nanostructures in butterfly wing scales.

PubMed

Márk, Géza I; Vértesy, Zofia; Kertész, Krisztián; Bálint, Zsolt; Biró, László P

2009-11-01

In order to study local and global order in butterfly wing scales possessing structural colors, we have developed a direct space algorithm, based on averaging the local environment of the repetitive units building up the structure. The method provides the statistical distribution of the local environments, including the histogram of the nearest-neighbor distance and the number of nearest neighbors. We have analyzed how the different kinds of randomness present in the direct space structure influence the reciprocal space structure. It was found that the Fourier method is useful in the case of a structure randomly deviating from an ordered lattice. The direct space averaging method remains applicable even for structures lacking long-range order. Based on the first Born approximation, a link is established between the reciprocal space image and the optical reflectance spectrum. Results calculated within this framework agree well with measured reflectance spectra because of the small width and moderate refractive index contrast of butterfly scales. By the analysis of the wing scales of Cyanophrys remus and Albulina metallica butterflies, we tested the methods for structures having long-range order, medium-range order, and short-range order.

Order-disorder effects in structure and color relation of photonic-crystal-type nanostructures in butterfly wing scales

NASA Astrophysics Data System (ADS)

Márk, Géza I.; Vértesy, Zofia; Kertész, Krisztián; Bálint, Zsolt; Biró, László P.

2009-11-01

In order to study local and global order in butterfly wing scales possessing structural colors, we have developed a direct space algorithm, based on averaging the local environment of the repetitive units building up the structure. The method provides the statistical distribution of the local environments, including the histogram of the nearest-neighbor distance and the number of nearest neighbors. We have analyzed how the different kinds of randomness present in the direct space structure influence the reciprocal space structure. It was found that the Fourier method is useful in the case of a structure randomly deviating from an ordered lattice. The direct space averaging method remains applicable even for structures lacking long-range order. Based on the first Born approximation, a link is established between the reciprocal space image and the optical reflectance spectrum. Results calculated within this framework agree well with measured reflectance spectra because of the small width and moderate refractive index contrast of butterfly scales. By the analysis of the wing scales of Cyanophrys remus and Albulina metallica butterflies, we tested the methods for structures having long-range order, medium-range order, and short-range order.

One-dimensional long-range percolation: A numerical study

NASA Astrophysics Data System (ADS)

Gori, G.; Michelangeli, M.; Defenu, N.; Trombettoni, A.

2017-07-01

In this paper we study bond percolation on a one-dimensional chain with power-law bond probability C /rd +σ , where r is the distance length between distinct sites and d =1 . We introduce and test an order-N Monte Carlo algorithm and we determine as a function of σ the critical value Cc at which percolation occurs. The critical exponents in the range 0 <σ <1 are reported. Our analysis is in agreement, up to a numerical precision ≈10-3 , with the mean-field result for the anomalous dimension η =2 -σ , showing that there is no correction to η due to correlation effects. The obtained values for Cc are compared with a known exact bound, while the critical exponent ν is compared with results from mean-field theory, from an expansion around the point σ =1 and from the ɛ -expansion used with the introduction of a suitably defined effective dimension deff relating the long-range model with a short-range one in dimension deff. We finally present a formulation of our algorithm for bond percolation on general graphs, with order N efficiency on a large class of graphs including short-range percolation and translationally invariant long-range models in any spatial dimension d with σ >0 .

High-sensitivity and large-dynamic-range refractive index sensors employing weak composite Fabry-Perot cavities.

PubMed

Chen, Pengcheng; Shu, Xuewen; Cao, Haoran; Sugden, Kate

2017-08-15

Most sensors face a common trade-off between high sensitivity and a large dynamic range. We demonstrate here an all-fiber refractometer based on a dual-cavity Fabry-Perot interferometer (FPI) that possesses the advantage of both high sensitivity and a large dynamic range. Since the two composite cavities have a large cavity length difference, one can observe both fine and coarse fringes, which correspond to the long cavity and the short cavity, respectively. The short-cavity FPI and the use of an intensity demodulation method mean that the individual fine fringe dips correspond to a series of quasi-continuous highly sensitive zones for refractive index measurement. By calculating the parameters of the composite FPI, we find that the range of the ultra-sensitive zones can be considerably adjusted to suit the end requirements. The experimental trends are in good agreement with the theoretical predictions. The co-existence of high sensitivity and a large dynamic range in a composite FPI is of great significance to practical RI measurements.

Active hydrodynamics of synchronization and ordering in moving oscillators

NASA Astrophysics Data System (ADS)

Banerjee, Tirthankar; Basu, Abhik

2017-08-01

The nature of emergent collective behaviors of moving interacting physical agents is a long-standing open issue in physical and biological systems alike. This calls for studies on the control of synchronization and the degree of order in a collection of diffusively moving noisy oscillators. We address this by constructing a generic hydrodynamic theory for active phase fluctuations in a collection of a large number of nearly-phase-coherent moving oscillators in two dimensions. Our theory describes the general situation where phase fluctuations and oscillator mobility mutually affect each other. We show that the interplay between the active effects and the mobility of the oscillators leads to a variety of phenomena, ranging from synchronization with long-range, nearly-long-range, and quasi-long-range orders to instabilities and desynchronization with short-range order of the oscillator phases. We highlight the complex dependences of synchronization on the active effects. These should be testable in wide-ranging systems, e.g., oscillating chemical reactions in the presence of different reaction inhibitors and facilitators, live oriented cytoskeletal extracts, and vertebrate segmentation clocks.

Variability of textural features in FDG PET images due to different acquisition modes and reconstruction parameters.

PubMed

Galavis, Paulina E; Hollensen, Christian; Jallow, Ngoneh; Paliwal, Bhudatt; Jeraj, Robert

2010-10-01

Characterization of textural features (spatial distributions of image intensity levels) has been considered as a tool for automatic tumor segmentation. The purpose of this work is to study the variability of the textural features in PET images due to different acquisition modes and reconstruction parameters. Twenty patients with solid tumors underwent PET/CT scans on a GE Discovery VCT scanner, 45-60 minutes post-injection of 10 mCi of [(18)F]FDG. Scans were acquired in both 2D and 3D modes. For each acquisition the raw PET data was reconstructed using five different reconstruction parameters. Lesions were segmented on a default image using the threshold of 40% of maximum SUV. Fifty different texture features were calculated inside the tumors. The range of variations of the features were calculated with respect to the average value. Fifty textural features were classified based on the range of variation in three categories: small, intermediate and large variability. Features with small variability (range ≤ 5%) were entropy-first order, energy, maximal correlation coefficient (second order feature) and low-gray level run emphasis (high-order feature). The features with intermediate variability (10% ≤ range ≤ 25%) were entropy-GLCM, sum entropy, high gray level run emphsis, gray level non-uniformity, small number emphasis, and entropy-NGL. Forty remaining features presented large variations (range > 30%). Textural features such as entropy-first order, energy, maximal correlation coefficient, and low-gray level run emphasis exhibited small variations due to different acquisition modes and reconstruction parameters. Features with low level of variations are better candidates for reproducible tumor segmentation. Even though features such as contrast-NGTD, coarseness, homogeneity, and busyness have been previously used, our data indicated that these features presented large variations, therefore they could not be considered as a good candidates for tumor segmentation.

Variability of textural features in FDG PET images due to different acquisition modes and reconstruction parameters

PubMed Central

GALAVIS, PAULINA E.; HOLLENSEN, CHRISTIAN; JALLOW, NGONEH; PALIWAL, BHUDATT; JERAJ, ROBERT

2014-01-01

Background Characterization of textural features (spatial distributions of image intensity levels) has been considered as a tool for automatic tumor segmentation. The purpose of this work is to study the variability of the textural features in PET images due to different acquisition modes and reconstruction parameters. Material and methods Twenty patients with solid tumors underwent PET/CT scans on a GE Discovery VCT scanner, 45–60 minutes post-injection of 10 mCi of [18F]FDG. Scans were acquired in both 2D and 3D modes. For each acquisition the raw PET data was reconstructed using five different reconstruction parameters. Lesions were segmented on a default image using the threshold of 40% of maximum SUV. Fifty different texture features were calculated inside the tumors. The range of variations of the features were calculated with respect to the average value. Results Fifty textural features were classified based on the range of variation in three categories: small, intermediate and large variability. Features with small variability (range ≤ 5%) were entropy-first order, energy, maximal correlation coefficient (second order feature) and low-gray level run emphasis (high-order feature). The features with intermediate variability (10% ≤ range ≤ 25%) were entropy-GLCM, sum entropy, high gray level run emphsis, gray level non-uniformity, small number emphasis, and entropy-NGL. Forty remaining features presented large variations (range > 30%). Conclusion Textural features such as entropy-first order, energy, maximal correlation coefficient, and low-gray level run emphasis exhibited small variations due to different acquisition modes and reconstruction parameters. Features with low level of variations are better candidates for reproducible tumor segmentation. Even though features such as contrast-NGTD, coarseness, homogeneity, and busyness have been previously used, our data indicated that these features presented large variations, therefore they could not be considered as a good candidates for tumor segmentation. PMID:20831489

Short-range magnetic order, irreversibility and giant magnetoresistance near the triple points in the (x, T) magnetic phase diagram of ZrMn6Sn6-xGax

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.

Pressure-Induced Phase Transitions in the Cd-Yb Periodic Approximant to a Quasicrystal

NASA Astrophysics Data System (ADS)

Watanuki, Tetsu; Machida, Akihiko; Ikeda, Tomohiro; Aoki, Katsutoshi; Kaneko, Hiroshi; Shobu, Takahisa; Sato, Taku J.; Tsai, An Pang

2006-03-01

The phase study of a Cd-Yb 1/1 approximant crystal over a wide pressure and temperature range is crucial for the comparison study between periodic and quasiperiodic crystals. The Cd4 tetrahedra, the most inner part of the atomic clusters, exhibited various structural ordering in the orientation sensitive to pressure and temperature. Five ordered phases appeared in a P-T span up to 5.2 GPa and down to 10 K. The propagation direction of ordering alternated from [110] to ⟨111⟩ at about 1.0 GPa and again to [110] at 3.5 4.3 GPa. The primarily ordered phases that appeared by cooling to 210 250 K between 1.0 5.2 GPa further transformed to finely ordered ones at 120 155 K. Besides the original short-range type interaction, a long-range type interaction was likely developed under pressure to lead to the primary ordering of Cd4 tetrahedra. Coexistence of these interactions is responsible for the complicated phase behavior.

Direct Immersion Annealing of Thin Block Copolymer Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Modi, Arvind; Bhaway, Sarang M.; Vogt, Bryan D.

2015-09-09

We demonstrate ordering of thin block copolymer (BCP) films via direct immersion annealing (DIA) at enhanced rate leading to stable morphologies. The BCP films are immersed in carefully selected mixtures of good and marginal solvents that can impart enhanced polymer mobility, while inhibiting film dissolution. DIA is compatible with roll-to-roll assembly manufacturing and has distinct advantages over conventional thermal annealing and batch processing solvent-vapor annealing methods. We identify three solvent composition-dependent BCP film ordering regimes in DIA for the weakly interacting polystyrene–poly(methyl methacrylate) (PS–PMMA) system: rapid short-range order, optimal long-range order, and a film instability regime. Kinetic studies in themore » “optimal long-range order” processing regime as a function of temperature indicate a significant reduction of activation energy for BCP grain growth compared to oven annealing at conventional temperatures. An attractive feature of DIA is its robustness to ordering other BCP (e.g. PS-P2VP) and PS-PMMA systems exhibiting spherical, lamellar and cylindrical ordering.« less

Ground-state phases of the spin-1 J1-J2 Heisenberg antiferromagnet on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Li, P. H. Y.; Bishop, R. F.

2016-06-01

We study the zero-temperature quantum phase diagram of a spin-1 Heisenberg antiferromagnet on the honeycomb lattice with both nearest-neighbor exchange coupling J1>0 and frustrating next-nearest-neighbor coupling J2≡κ J1>0 , using the coupled cluster method implemented to high orders of approximation, and based on model states with different forms of classical magnetic order. For each we calculate directly in the bulk thermodynamic limit both ground-state low-energy parameters (including the energy per spin, magnetic order parameter, spin stiffness coefficient, and zero-field uniform transverse magnetic susceptibility) and their generalized susceptibilities to various forms of valence-bond crystalline (VBC) order, as well as the energy gap to the lowest-lying spin-triplet excitation. In the range 0 <κ <1 we find evidence for four distinct phases. Two of these are quasiclassical phases with antiferromagnetic long-range order, one with two-sublattice Néel order for κ <κc1=0.250(5 ) , and another with four-sublattice Néel-II order for κ >κc 2=0.340 (5 ) . Two different paramagnetic phases are found to exist in the intermediate region. Over the range κc1<κ<κci=0.305 (5 ) we find a gapless phase with no discernible magnetic order, which is a strong candidate for being a quantum spin liquid, while over the range κci<κ <κc 2 we find a gapped phase, which is most likely a lattice nematic with staggered dimer VBC order that breaks the lattice rotational symmetry.

Magnetic properties of four Cu(ii)-amino acid salts

NASA Astrophysics Data System (ADS)

Calvo, Rafael

1984-03-01

We report a comparative study of magnetic properties of the Cu(II) salts of the amino acids l-alanine, dl-α-amino-n-butyric acid, α-amino isobutyric acid, and l-isoleucine. The position of the EPR lines of these quasi-two-dimensional magnetic systems was measured as a function of temperature T between 293 and 1.5 K, at 9.3 GHz and for magnetic fields applied along three axes of single crystal samples. Large changes of the gyromagnetic factor with T have been observed. They are attributed to an internal mean field, proportional to the applied field, which appears when the temperature is lowered due to short range magnetic order in the paramagnetic phase of the salts. The problem of short range magnetic order and g shifts in Cu-amino acid salts is discussed and compared with previous observations in Mn one-dimensional systems.

Incipient crystallization of transition-metal tungstates under microwaves probed by Raman scattering and transmission electron microscopy

NASA Astrophysics Data System (ADS)

Siqueira, Kisla P. F.; Dias, Anderson

2011-11-01

Microwave synthesis was used to produce nanosized transition-metal tungstates in environmentally friendly conditions not yet reported by the literature: 110 and 150 °C, for times of 10 and 20 min. X-ray diffraction evidenced incipient crystallized materials, while transmission electron microscopy indicates nanostructured regions of about 2-5 nm inside an amorphous matrix. Raman spectroscopy was used to probe short-range ordering in the achieved samples and also to obtain a reliable set of spectra containing all the Raman-active bands predicted by group-theory calculations. The vibrational spectra showed no extra feature, indicating that the microwave processing was able to produce short-range ordered materials without tetrahedral distortions. These distortions are frequently reported when commercially modified kitchen microwave units are employed. In this work, the syntheses were conducted in a commercial apparatus especially designed for fully controlled temperature-time-pressure conditions.

Electronic Structure, Dielectric Response, and Surface Charge Distribution of RGD (1FUV) Peptide

PubMed Central

Adhikari, Puja; Wen, Amy M.; French, Roger H.; Parsegian, V. Adrian; Steinmetz, Nicole F.; Podgornik, Rudolf; Ching, Wai-Yim

2014-01-01

Long and short range molecular interactions govern molecular recognition and self-assembly of biological macromolecules. Microscopic parameters in the theories of these molecular interactions are either phenomenological or need to be calculated within a microscopic theory. We report a unified methodology for the ab initio quantum mechanical (QM) calculation that yields all the microscopic parameters, namely the partial charges as well as the frequency-dependent dielectric response function, that can then be taken as input for macroscopic theories of electrostatic, polar, and van der Waals-London dispersion intermolecular forces. We apply this methodology to obtain the electronic structure of the cyclic tripeptide RGD-4C (1FUV). This ab initio unified methodology yields the relevant parameters entering the long range interactions of biological macromolecules, providing accurate data for the partial charge distribution and the frequency-dependent dielectric response function of this peptide. These microscopic parameters determine the range and strength of the intricate intermolecular interactions between potential docking sites of the RGD-4C ligand and its integrin receptor. PMID:25001596

Modelling Polar Self Assembly

NASA Astrophysics Data System (ADS)

Olvera de La Cruz, Monica; Sayar, Mehmet; Solis, Francisco J.; Stupp, Samuel I.

2001-03-01

Recent experimental studies in our group have shown that self assembled thin films of noncentrosymmetric supramolecular objects composed of triblock rodcoil molecules exhibit finite polar order. These aggregates have both long range dipolar and short range Ising-like interactions. We study the ground state of a simple model with these competing interactions. We find that the competition between Ising-like and dipolar forces yield a periodic domain structure, which can be controlled by adjusting the force constants and film thickness. When the surface forces are included in the potential, the system exhibits a finite macroscopic polar order.

Coexistence of short- and long-range ferromagnetic order in nanocrystalline Fe2Mn1-xCuxAl (x=0.0, 0.1 and 0.3) synthesized by high-energy ball milling

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.

Similar local order in disordered fluorite and aperiodic pyrochlore structures

DOE PAGES

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

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.

Sequestration of toxic Pb(II) ions by chemically treated rubber (Hevea brasiliensis) leaf powder.

PubMed

Kamal, Megat Hanafiah Megat Ahmad; Azira, Wan Mat Khalir Wan Khaima; Kasmawati, Mohamed; Haslizaidi, Zakaria; Saime, Wan Ngah Wan

2010-01-01

Rubber leaf powder (an agricultural waste) was treated with potassium permanganate followed by sodium carbonate and its performance in the removal of Pb(II) ions from aqueous solution was evaluated. The interactions between Pb(II) ions and functional groups on the adsorbent surface were confirmed by Fourier transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM) coupled with X-ray energy dispersive spectroscopy (EDX). The effects of several important parameters which can affect adsorption capacity such as pH, adsorbent dosage, initial lead concentration and contact time were studied. The optimum pH range for lead adsorption was 4-5. Even at very low adsorbent dosage of 0.02 g, almost 100% of Pb(II) ions (23 mg/L) could be removed. The adsorption capacity was also dependent on lead concentration and contact time, and relatively a short period of time (60-90 min) was required to reach equilibrium. The equilibrium data were analyzed with Langmuir, Freundlich and Dubinin-Radushkevich isotherms. Based on Langmuir model, the maximum adsorption capacity of lead was 95.3 mg/g. Three kinetic models including pseudo first-order, pseudo second-order and Boyd were used to analyze the lead adsorption process, and the results showed that the pseudo second-order fitted well with correlation coefficients greater than 0.99.

Vapor phase nucleation of the short-chain n-alkanes (n-pentane, n-hexane and n-heptane): Experiments and Monte Carlo simulations.

PubMed

Ogunronbi, Kehinde E; Sepehri, Aliasghar; Chen, Bin; Wyslouzil, Barbara E

2018-04-14

We measured the nucleation rates of n-pentane through n-heptane in a supersonic nozzle at temperatures ranging from ca. 109 K to 168 K. For n-pentane and n-hexane, these are the first nucleation rate measurements that have been made, and the trends in the current data agree well with those in the earlier work of Ghosh et al. [J. Chem. Phys. 132, 024307 (2010)] for longer chain alkanes. Complementary Monte Carlo simulations, using the transferable potentials for phase equilibria-united atom potentials, suggest that despite the high degree of supercooling, the critical clusters remain liquid like under experimental conditions for n-pentane through n-heptane, but adopt more ordered structures for n-octane and n-nonane. For all three alkanes, the experimental and simulated nucleation rates are offset by ∼3 orders of magnitude when plotted as a function of ln S/(T c /T - 1) 1.5 . Explicitly accounting for the surface tension difference between the real and model substances, or alternatively using the Hale [Phys. Rev. A 33, 4156 (1986); Metall. Mater. Trans. A 23, 1863 (1992)] scaling parameter, Ω, consistent with the model potential, increases the offset to ∼6 orders of magnitude.

Vapor phase nucleation of the short-chain n-alkanes (n-pentane, n-hexane and n-heptane): Experiments and Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Ogunronbi, Kehinde E.; Sepehri, Aliasghar; Chen, Bin; Wyslouzil, Barbara E.

2018-04-01

We measured the nucleation rates of n-pentane through n-heptane in a supersonic nozzle at temperatures ranging from ca. 109 K to 168 K. For n-pentane and n-hexane, these are the first nucleation rate measurements that have been made, and the trends in the current data agree well with those in the earlier work of Ghosh et al. [J. Chem. Phys. 132, 024307 (2010)] for longer chain alkanes. Complementary Monte Carlo simulations, using the transferable potentials for phase equilibria-united atom potentials, suggest that despite the high degree of supercooling, the critical clusters remain liquid like under experimental conditions for n-pentane through n-heptane, but adopt more ordered structures for n-octane and n-nonane. For all three alkanes, the experimental and simulated nucleation rates are offset by ˜3 orders of magnitude when plotted as a function of ln S/(Tc/T - 1)1.5. Explicitly accounting for the surface tension difference between the real and model substances, or alternatively using the Hale [Phys. Rev. A 33, 4156 (1986); Metall. Mater. Trans. A 23, 1863 (1992)] scaling parameter, Ω, consistent with the model potential, increases the offset to ˜6 orders of magnitude.

An unscaled parameter to measure the order of surfaces: a new surface elaboration to increase cells adhesion.

PubMed

Bigerelle, M; Anselme, K; Dufresne, E; Hardouin, P; Iost, A

2002-08-01

We present a new parameter to quantify the order of a surface. This parameter is scale-independent and can be used to compare the organization of a surface at different scales of range and amplitude. To test the accuracy of this roughness parameter versus a hundred existing ones, we created an original statistical bootstrap method. In order to assess the physical relevance of this new parameter, we elaborated a great number of surfaces with various roughness amplitudes on titanium and titanium-based alloys using different physical processes. Then we studied the influence of the roughness amplitude on in vitro adhesion and proliferation of human osteoblasts. It was then shown that our new parameter best discriminates among the cell adhesion phenomena than others' parameters (Average roughness (Ra em leader )): cells adhere better on isotropic surfaces with a low order, provided this order is quantified on a scale that is more important than that of the cells. Additionally, on these low ordered metallic surfaces, the shape of the cells presents the same morphological aspect as that we can see on the human bone trabeculae. The method used to prepare these isotropic surfaces (electroerosion) could be undoubtedly and easily applied to prepare most biomaterials with complex geometries and to improve bone implant integration. Moreover, the new order parameter we developed may be particularly useful for the fundamental understanding of the mechanism of bone cell installation on a relief and of the formation of bone cell-material interface.

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin

DOE PAGES

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

2018-05-31

From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects controlmore » ordering in these alloys.« less

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects controlmore » ordering in these alloys.« less

Electrical resistivity of V-Cr-Ti alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zinkle, S.J.; Gubbi, A.N.; Eatherly, W.S.

1997-04-01

Room temperature electrical resistivity measurements have been performed on vanadium alloys containing 3-6%Cr and 3-6%Ti in order to evaluate the microstructural stability of these alloys. A nonlinear dependence on Cr and Ti concentration was observed, which suggests that either short range ordering or solute precipitation (perhaps in concert with interstitial solute clustering) has occurred in V-6Cr-6Ti.

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

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

Coexistence of ferromagnetism and unconventional spin-glass freezing in the site-disordered kagome ferrite SrS n2F e4O11

NASA Astrophysics Data System (ADS)

Shlyk, L.; Strobel, S.; Farmer, B.; De Long, L. E.; Niewa, R.

2018-02-01

Single-crystal x-ray diffraction refinements indicate SrS n2F e4O11 crystallizes in the hexagonal R -type ferrite structure with noncentrosymmetric space group P 63m c and lattice parameters a =5.9541 (2 )Å , c =13.5761 (5 )Å , Z =2 (R (F )=0.034 ). Octahedrally coordinated 2 a [M (1) and M (1a)] and 6 c sites [M (2 )] have random, mixed occupation by Sn and Fe; whereas the tetrahedrally coordinated 2 b sites [Fe(3) and Fe(3a)] are exclusively occupied by Fe, whose displacement from the ideal position with trigonal-bipyramidal coordination causes the loss of inversion symmetry. Our dc and ac magnetization data indicate SrS n2F e4O11 single crystals undergo a ferro- or ferri-magnetic transition below a temperature TC=630 K with very low coercive fields μoHc ⊥=0.27 Oe and μoHc ∥=1.5 Oe at 300 K, for applied field perpendicular and parallel to the c axis, respectively. The value for TC is exceptionally high, and the coercive fields exceptionally low, among the known R-type ferrites. Time-dependent dc magnetization and frequency-dependent ac magnetization data indicate the onset of short-range, spin-glass freezing below Tf=35.8 K , which results from crystallographic disorder of magnetic F e3 + and nonmagnetic S n4 + ions on a frustrated Kagome sublattice. Anomalous ac susceptibility and thermomagnetic relaxation behavior in the short-range-ordered state differs from that of conventional spin glasses. Optical measurements in the ultraviolet to visible frequency range in a diffuse reflectance geometry indicate an overall optical band gap of 0.8 eV, consistent with observed semiconducting properties.

A simulation environment for assisting system design of coherent laser doppler wind sensor for active wind turbine pitch control

NASA Astrophysics Data System (ADS)

Shinohara, Leilei; Pham Tran, Tuan Anh; Beuth, Thorsten; Umesh Babu, Harsha; Heussner, Nico; Bogatscher, Siegwart; Danilova, Svetlana; Stork, Wilhelm

2013-05-01

In order to assist a system design of laser coherent Doppler wind sensor for active pitch control of wind turbine systems (WTS), we developed a numerical simulation environment for modeling and simulation of the sensor system. In this paper we present this simulation concept. In previous works, we have shown the general idea and the possibility of using a low cost coherent laser Doppler wind sensing system for an active pitch control of WTS in order to achieve a reduced mechanical stress, increase the WTS lifetime and therefore reduce the electricity price from wind energy. Such a system is based on a 1.55μm Continuous-Wave (CW) laser plus an erbium-doped fiber amplifier (EDFA) with an output power of 1W. Within this system, an optical coherent detection method is chosen for the Doppler frequency measurement in megahertz range. A comparatively low cost short coherent length laser with a fiber delay line is used for achieving a multiple range measurement. In this paper, we show the current results on the improvement of our simulation by applying a Monte Carlo random generation method for positioning the random particles in atmosphere and extend the simulation to the entire beam penetrated space by introducing a cylindrical co-ordinate concept and meshing the entire volume into small elements in order to achieve a faster calculation and gain more realistic simulation result. In addition, by applying different atmospheric parameters, such as particle sizes and distributions, we can simulate different weather and wind situations.

Parameter Estimation for GRACE-FO Geometric Ranging Errors

NASA Astrophysics Data System (ADS)

Wegener, H.; Mueller, V.; Darbeheshti, N.; Naeimi, M.; Heinzel, G.

2017-12-01

Onboard GRACE-FO, the novel Laser Ranging Instrument (LRI) serves as a technology demonstrator, but it is a fully functional instrument to provide an additional high-precision measurement of the primary mission observable: the biased range between the two spacecraft. Its (expectedly) two largest error sources are laser frequency noise and tilt-to-length (TTL) coupling. While not much can be done about laser frequency noise, the mechanics of the TTL error are widely understood. They depend, however, on unknown parameters. In order to improve the quality of the ranging data, it is hence essential to accurately estimate these parameters and remove the resulting TTL error from the data.Means to do so will be discussed. In particular, the possibility of using calibration maneuvers, the utility of the attitude information provided by the LRI via Differential Wavefront Sensing (DWS), and the benefit from combining ranging data from LRI with ranging data from the established microwave ranging, will be mentioned.

Data-driven strategies for robust forecast of continuous glucose monitoring time-series.

PubMed

Fiorini, Samuele; Martini, Chiara; Malpassi, Davide; Cordera, Renzo; Maggi, Davide; Verri, Alessandro; Barla, Annalisa

2017-07-01

Over the past decade, continuous glucose monitoring (CGM) has proven to be a very resourceful tool for diabetes management. To date, CGM devices are employed for both retrospective and online applications. Their use allows to better describe the patients' pathology as well as to achieve a better control of patients' level of glycemia. The analysis of CGM sensor data makes possible to observe a wide range of metrics, such as the glycemic variability during the day or the amount of time spent below or above certain glycemic thresholds. However, due to the high variability of the glycemic signals among sensors and individuals, CGM data analysis is a non-trivial task. Standard signal filtering solutions fall short when an appropriate model personalization is not applied. State-of-the-art data-driven strategies for online CGM forecasting rely upon the use of recursive filters. Each time a new sample is collected, such models need to adjust their parameters in order to predict the next glycemic level. In this paper we aim at demonstrating that the problem of online CGM forecasting can be successfully tackled by personalized machine learning models, that do not need to recursively update their parameters.

Laws of evolution of slip trace pattern and its parameters with deformation in [1.8.12] – single crystals of Ni{sub 3}Fe alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teplyakova, Ludmila, E-mail: lat168@mail.ru; Koneva, Nina, E-mail: koneva@mail.ru; Kunitsyna, Tatyana, E-mail: kma11061990@mail.ru

2016-01-15

The slip trace pattern of Ni{sub 3}Fe alloy single crystals with the short range order oriented for a single slip were investigated on replica at different stages of deformation using the transmission diffraction electron microscopy method. The connection of staging with the formation of slip trace pattern and the change of its parameters were established. The number of local areas where two or more slip systems work is increased with the change of stages. In these conditions the character of slip localization in the primary slip system is changed from the packets to the homogeneous distribution. The distributions of themore » distances between slip traces and the shear power in slip traces were plotted. The correlation between the average value of the shear power in the primary slip traces and the average distance between them was revealed in this work. It was established that the rates of the average value growth of the relative local shear and the shear power in the slip traces reach the largest values at the transition stage.« less

Heat exchange between a bouncing drop and a superhydrophobic substrate

PubMed Central

Shiri, Samira; Bird, James C.

2017-01-01

The ability to enhance or limit heat transfer between a surface and impacting drops is important in applications ranging from industrial spray cooling to the thermal regulation of animals in cold rain. When these surfaces are micro/nanotextured and hydrophobic, or superhydrophobic, an impacting drop can spread and recoil over trapped air pockets so quickly that it can completely bounce off the surface. It is expected that this short contact time limits heat transfer; however, the amount of heat exchanged and precise role of various parameters, such as the drop size, are unknown. Here, we demonstrate that the amount of heat exchanged between a millimeter-sized water drop and a superhydrophobic surface will be orders of magnitude less when the drop bounces than when it sticks. Through a combination of experiments and theory, we show that the heat transfer process on superhydrophobic surfaces is independent of the trapped gas. Instead, we find that, for a given spreading factor, the small fraction of heat transferred is controlled by two dimensionless groupings of physical parameters: one that relates the thermal properties of the drop and bulk substrate and the other that characterizes the relative thermal, inertial, and capillary dynamics of the drop. PMID:28630306

Performance Analysis of IEEE 802.15.3 MAC Protocol with Different ACK Polices

NASA Astrophysics Data System (ADS)

Mehta, S.; Kwak, K. S.

The wireless personal area network (WPAN) is an emerging wireless technology for future short range indoor and outdoor communication applications. The IEEE 802.15.3 medium access control (MAC) is proposed, specially, for short range high data rates applications, to coordinate the access to the wireless medium among the competing devices. This paper uses analytical model to study the performance analysis of WPAN (IEEE 802.15.3) MAC in terms of throughput, efficient bandwidth utilization, and delay with various acknowledgment schemes under different parameters. Also, some important observations are obtained, which can be very useful to the protocol architectures. Finally, we come up with some important research issues to further investigate the possible improvements in the WPAN MAC.

Formation of ferric oxides from aqueous solutions: A polyhedral approach by X-ray absorption spectroscopy. I. Hydrolysis and formation of ferric gels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Combes, J.M.; Manceau, A.; Calas, G.

1989-03-01

X-ray absorption spectroscopy (XAS) was used to follow the evolution of local structural environments around ferric ions during the formation of ferric hydrous oxide gels from 1 M chloride and 0.1 M nitrate solutions. Fe K-XANES and EXAFS confirm that ferric ions remain 6-fold coordinated during this evolution. With increasing OH availability in the solution, Cl{sup {minus}} anions tend gradually to be exchanged for (O, OH, OH{sub 2}) ligands. Below OH/Fe = 1, no structural order is detected beyond the first coordination sphere. Above this ratio, two Fe-Fe distances at 3.05 {angstrom} and 3.44 {angstrom} are observed and correspond tomore » the presence of edge- and vertex-sharing Fe-octahedra. XAS results show that ferric gels and highly polymerized aqueous species are short-range ordered. The main contribution to disorder in the gels arises from the small size of coherently scattering domains also responsible for their X-ray amorphous character. From the initial to the final stage of hydrolysis, particles possess a nearly spherical shape with a minimum average diameter ranging from 10-30 {angstrom} for polymers formed from chloride and nitrate solutions. As polymerization proceeds, the local order extends to several tens of angstroms and the particle structures becomes progressively closer to that of akaganeite ({beta}-FeOOH) or goethite ({alpha}-FeOOH). This local structure is distinct from that of the lepidocrocite ({gamma}-FeOOH)-like structure of ferric gels precipitated after oxidation of divalent Fe solutions. The growth of the crystalline Fe-oxyhydroxides from gels takes place by the progressive long-range ordering in the ferric polymers without modifying the short-range order around Fe.« less

The effects of dynamical synapses on firing rate activity: a spiking neural network model.

PubMed

Khalil, Radwa; Moftah, Marie Z; Moustafa, Ahmed A

2017-11-01

Accumulating evidence relates the fine-tuning of synaptic maturation and regulation of neural network activity to several key factors, including GABA A signaling and a lateral spread length between neighboring neurons (i.e., local connectivity). Furthermore, a number of studies consider short-term synaptic plasticity (STP) as an essential element in the instant modification of synaptic efficacy in the neuronal network and in modulating responses to sustained ranges of external Poisson input frequency (IF). Nevertheless, evaluating the firing activity in response to the dynamical interaction between STP (triggered by ranges of IF) and these key parameters in vitro remains elusive. Therefore, we designed a spiking neural network (SNN) model in which we incorporated the following parameters: local density of arbor essences and a lateral spread length between neighboring neurons. We also created several network scenarios based on these key parameters. Then, we implemented two classes of STP: (1) short-term synaptic depression (STD) and (2) short-term synaptic facilitation (STF). Each class has two differential forms based on the parametric value of its synaptic time constant (either for depressing or facilitating synapses). Lastly, we compared the neural firing responses before and after the treatment with STP. We found that dynamical synapses (STP) have a critical differential role on evaluating and modulating the firing rate activity in each network scenario. Moreover, we investigated the impact of changing the balance between excitation (E) and inhibition (I) on stabilizing this firing activity. © 2017 Federation of European Neuroscience Societies and John Wiley & Sons Ltd.

Structural and magnetic properties of RTiNO{sub 2} (R=Ce, Pr, Nd) perovskite nitride oxides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Porter, Spencer H.; Huang, Zhenguo, E-mail: zhenguo@uow.edu.au; Cheng, Zhenxiang

2015-03-15

Neutron powder diffraction indicates that CeTiNO{sub 2} and PrTiNO{sub 2} crystallize with orthorhombic Pnma symmetry (Ce: a=5.5580(5), b=7.8369(7), and c=5.5830(4) Å; Pr: a=5.5468(5), b=7.8142(5), and c=5.5514(5) Å) as a result of a{sup –}b{sup +}a{sup –} tilting of the titanium-centered octahedra. Careful examination of the NPD data, confirms the absence of long range anion order in both compounds, while apparent superstructure reflections seen in electron diffraction patterns provide evidence for short range anion order. Inverse magnetic susceptibility plots reveal that the RTiNO{sub 2} (R=Ce, Pr, Nd) compounds are paramagnetic with Weiss constants that vary from −28 to −42 K. Effective magneticmore » moments for RTiNO{sub 2} (R=Ce, Pr, Nd) are 2.43 μ{sub B}, 3.63 μ{sub B}, and 3.47 μ{sub B}, respectively, in line with values expected for free rare-earth ions. Deviations from Curie–Weiss behavior that occur below 150 K for CeTiNO{sub 2} and below 30 K for NdTiNO{sub 2} are driven by magnetic anisotropy, spin–orbit coupling, and crystal field effects. - Graphical abstract: The structure and magnetism of the oxide nitride perovskites RTiNO{sub 2} (R=Ce, Pr, Nd) have been explored. The average symmetry is shown to be Pnma with a random distribution of oxide and nitride ions and a{sup −}b{sup +}a{sup −} tilting of the titanium-centered octahedra, but electron diffraction shows evidence for short range anion order. All three compounds are paramagnetic but deviations from the Curie Weiss law are seen below 150 K for R=Ce and below 30 K for R=Nd. - Highlights: • The oxide nitride perovskites RTiNO{sub 2} (R=Ce, Pr) have been prepared and their structures determined. • Diffraction measurements indicate short range cis-order of O and N, but no long range order. • Compounds are paramagnetic with Weiss constants that vary from −28 to −42 K. • CeTiO{sub 2}N and NdTiO{sub 2}N deviate from Curie–Weiss behavior below 150 and 30 K, respectively.« less

Application of Powder Diffraction Methods to the Analysis of Short- and Long-Range Atomic Order in Nanocrystalline Diamond and SiC: The Concept of the Apparent Lattice Parameter (alp)

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.

Efficient Bayesian inference for natural time series using ARFIMA processes

NASA Astrophysics Data System (ADS)

Graves, Timothy; Gramacy, Robert; Franzke, Christian; Watkins, Nicholas

2016-04-01

Many geophysical quantities, such as atmospheric temperature, water levels in rivers, and wind speeds, have shown evidence of long memory (LM). LM implies that these quantities experience non-trivial temporal memory, which potentially not only enhances their predictability, but also hampers the detection of externally forced trends. Thus, it is important to reliably identify whether or not a system exhibits LM. We present a modern and systematic approach to the inference of LM. We use the flexible autoregressive fractional integrated moving average (ARFIMA) model, which is widely used in time series analysis, and of increasing interest in climate science. Unlike most previous work on the inference of LM, which is frequentist in nature, we provide a systematic treatment of Bayesian inference. In particular, we provide a new approximate likelihood for efficient parameter inference, and show how nuisance parameters (e.g., short-memory effects) can be integrated over in order to focus on long-memory parameters and hypothesis testing more directly. We illustrate our new methodology on the Nile water level data and the central England temperature (CET) time series, with favorable comparison to the standard estimators [1]. In addition we show how the method can be used to perform joint inference of the stability exponent and the memory parameter when ARFIMA is extended to allow for alpha-stable innovations. Such models can be used to study systems where heavy tails and long range memory coexist. [1] Graves et al, Nonlin. Processes Geophys., 22, 679-700, 2015; doi:10.5194/npg-22-679-2015.

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

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

Many-Body Interactions in Ice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pham, C. Huy; Reddy, Sandeep K.; Chen, Karl

Many-body effects in ice are investigated through a systematic analysis of the lattice energies of several proton ordered and disordered phases, which are calculated with different flexible water models, ranging from pairwise additive (q-TIP4P/F) to polarizable (TTM3-F and AMOE-BA BA) and explicit many-body (MB-pol) potential energy functions. Comparisons with available experimental and diffusion Monte Carlo data emphasize the importance of an accurate description of the individual terms of the many-body expansion of the interaction energy between water molecules for the correct prediction of the energy ordering of the ice phases. Further analysis of the MB-pol results, in terms of fundamentalmore » energy contributions, demonstrates that the differences in lattice energies between different ice phases are sensitively dependent on the subtle balance between short-range two-body and three-body interactions, many-body induction, and dispersion energy. Here, by correctly reproducing many-body effects at both short range and long range, it is found that MB-pol accurately predicts the energetics of different ice phases, which provides further support for the accuracy of MB-pol in representing the properties of water from the gas to the condensed phase.« less

Many-Body Interactions in Ice

DOE PAGES

Pham, C. Huy; Reddy, Sandeep K.; Chen, Karl; ...

2017-02-28

Many-body effects in ice are investigated through a systematic analysis of the lattice energies of several proton ordered and disordered phases, which are calculated with different flexible water models, ranging from pairwise additive (q-TIP4P/F) to polarizable (TTM3-F and AMOE-BA BA) and explicit many-body (MB-pol) potential energy functions. Comparisons with available experimental and diffusion Monte Carlo data emphasize the importance of an accurate description of the individual terms of the many-body expansion of the interaction energy between water molecules for the correct prediction of the energy ordering of the ice phases. Further analysis of the MB-pol results, in terms of fundamentalmore » energy contributions, demonstrates that the differences in lattice energies between different ice phases are sensitively dependent on the subtle balance between short-range two-body and three-body interactions, many-body induction, and dispersion energy. Here, by correctly reproducing many-body effects at both short range and long range, it is found that MB-pol accurately predicts the energetics of different ice phases, which provides further support for the accuracy of MB-pol in representing the properties of water from the gas to the condensed phase.« less

A new monitor set for the determination of neutron flux parameters in short-time k0-NAA

NASA Astrophysics Data System (ADS)

Kubešová, Marie; Kučera, Jan; Fikrle, Marek

2011-11-01

Multipurpose research reactors such as LVR-15 in Řež require monitoring of the neutron flux parameters (f, α) in each batch of samples analyzed when k0 standardization in NAA is to be used. The above parameters may change quite unpredictably, because experiments in channels adjacent to those used for NAA require an adjustment of the reactor operation parameters and/or active core configuration. For frequent monitoring of the neutron flux parameters the bare multi-monitor method is very convenient. The well-known Au-Zr tri-isotopic monitor set that provides a good tool for determining f and α after long-time irradiation is not optimal in case of short-time irradiation because only a low activity of the 95Zr radionuclide is formed. Therefore, several elements forming radionuclides with suitable half-lives and Q0 and Ēr parameters in a wide range of values were tested, namely 198Au, 56Mn, 88Rb, 128I, 139Ba, and 239U. As a result, an optimal mixture was selected consisting of Au, Mn, and Rb to form a well suited monitor set for irradiation at a thermal neutron fluence rate of 3×1017 m-2 s-1. The procedure of short-time INAA with the new monitor set for k0 standardization was successfully validated using the synthetic reference material SMELS 1 and several matrix reference materials (RMs) representing matrices of sample types frequently analyzed in our laboratory. The results were obtained using the Kayzero for Windows program.

How the manner of presentation of data influences older patients in determining their treatment preferences.

PubMed

Mazur, D J; Merz, J F

1993-03-01

To assess how the manner of presentation of graphic data to older patients influences their treatment preferences. Cross-sectional structured interviews with patients. A university-based Department of Veterans Affairs Medical Center. One hundred sixty-six consecutive patients (mean age = 64.8 years, range of ages 29-82) seen in a Department of Veterans Affairs general medicine clinic. Five pairs of 5-year survival curves were presented to patients. Each pair was composed of two survival curves for alternative unidentified treatments for an unidentified medical condition. Curve A (LT = better long-term, worse short-term survival) was fixed throughout all curve pairs. Curve B (ST = better short-term, worse long-term survival) changed in each curve pair, showing incrementally better chances of short-term survival across the five curve pairs. Patients were randomly assigned to view the curve pairs in forward (increasing short-term survival) or backward (decreasing short-term survival) order. Order is a significant predictor of patients' initial preferences for the short-term survival curve (P = 0.0004) as well as their willingness to shift preferences during presentation of the five curve pairs. Patients > or = 65 were more likely to initially choose the ST curve in forward order presentation than patients < 65. More educated patients generally were less likely to prefer the ST curve under both elicitation orders. The data indicate that the method of eliciting patients' preferences strongly influenced their expressed preferences, and that these preferences may have predictable relationships with demographic characteristics such as age.

Long- and short-time analysis of heartbeat sequences: correlation with mortality risk in congestive heart failure patients.

PubMed

Allegrini, P; Balocchi, R; Chillemi, S; Grigolini, P; Hamilton, P; Maestri, R; Palatella, L; Raffaelli, G

2003-06-01

We analyze RR heartbeat sequences with a dynamic model that satisfactorily reproduces both the long- and the short-time statistical properties of heart beating. These properties are expressed quantitatively by means of two significant parameters, the scaling delta concerning the asymptotic effects of long-range correlation, and the quantity 1-pi establishing the amount of uncorrelated fluctuations. We find a correlation between the position in the phase space (delta, pi) of patients with congestive heart failure and their mortality risk.

Short-term solar activity forecasting

NASA Technical Reports Server (NTRS)

Xie-Zhen, C.; Ai-Di, Z.

1979-01-01

A method of forecasting the level of activity of every active region on the surface of the Sun within one to three days is proposed in order to estimate the possibility of the occurrence of ionospheric disturbances and proton events. The forecasting method is a probability process based on statistics. In many of the cases, the accuracy in predicting the short term solar activity was in the range of 70%, although there were many false alarms.

Exactly solvable random graph ensemble with extensively many short cycles

NASA Astrophysics Data System (ADS)

Aguirre López, Fabián; Barucca, Paolo; Fekom, Mathilde; Coolen, Anthony C. C.

2018-02-01

We introduce and analyse ensembles of 2-regular random graphs with a tuneable distribution of short cycles. The phenomenology of these graphs depends critically on the scaling of the ensembles’ control parameters relative to the number of nodes. A phase diagram is presented, showing a second order phase transition from a connected to a disconnected phase. We study both the canonical formulation, where the size is large but fixed, and the grand canonical formulation, where the size is sampled from a discrete distribution, and show their equivalence in the thermodynamical limit. We also compute analytically the spectral density, which consists of a discrete set of isolated eigenvalues, representing short cycles, and a continuous part, representing cycles of diverging size.

Critical short-time dynamics in a system with interacting static and diffusive populations

NASA Astrophysics Data System (ADS)

Argolo, C.; Quintino, Yan; Gleria, Iram; Lyra, M. L.

2012-01-01

We study the critical short-time dynamical behavior of a one-dimensional model where diffusive individuals can infect a static population upon contact. The model presents an absorbing phase transition from an active to an inactive state. Previous calculations of the critical exponents based on quasistationary quantities have indicated an unusual crossover from the directed percolation to the diffusive contact process universality classes. Here we show that the critical exponents governing the slow short-time dynamic evolution of several relevant quantities, including the order parameter, its relative fluctuations, and correlation function, reinforce the lack of universality in this model. Accurate estimates show that the critical exponents are distinct in the regimes of low and high recovery rates.

Lidar instruments proposed for Eos

NASA Technical Reports Server (NTRS)

Grant, William B.; Browell, Edward V.

1990-01-01

Lidar, an acronym for light detection and ranging, represents a class of instruments that utilize lasers to send probe beams into the atmosphere or onto the surface of the Earth and detect the backscattered return in order to measure properties of the atmosphere or surface. The associated technology has matured to the point where two lidar facilities, Geodynamics Laser Ranging System (GLRS), and Laser Atmospheric Wind Sensor (LAWS) were accepted for Phase 2 studies for Eos. A third lidar facility Laser Atmospheric Sounder and Altimeter (LASA), with the lidar experiment EAGLE (Eos Atmospheric Global Lidar Experiment) was proposed for Eos. The generic lidar system has a number of components. They include controlling electronics, laser transmitters, collimating optics, a receiving telescope, spectral filters, detectors, signal chain electronics, and a data system. Lidar systems that measure atmospheric constituents or meteorological parameters record the signal versus time as the beam propagates through the atmosphere. The backscatter arises from molecular (Rayleigh) and aerosol (Mie) scattering, while attenuation arises from molecular and aerosol scattering and absorption. Lidar systems that measure distance to the Earth's surface or retroreflectors in a ranging mode record signals with high temporal resolution over a short time period. The overall characteristics and measurements objectives of the three lidar systems proposed for Eos are given.

Key experimental information on intermediate-range atomic structures in amorphous Ge2Sb2Te5 phase change material

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.

Non-local order in Mott insulators, duality and Wilson loops

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rath, Steffen Patrick, E-mail: steffen.rath@ph.tum.de; Simeth, Wolfgang; Endres, Manuel

2013-07-15

It is shown that the Mott insulating and superfluid phases of bosons in an optical lattice may be distinguished by a non-local ‘parity order parameter’ which is directly accessible via single site resolution imaging. In one dimension, the lattice Bose model is dual to a classical interface roughening problem. We use known exact results from the latter to prove that the parity order parameter exhibits long range order in the Mott insulating phase, consistent with recent experiments by Endres et al. [M. Endres, M. Cheneau, T. Fukuhara, C. Weitenberg, P. Schauß, C. Gross, L. Mazza, M.C. Bañuls, L. Pollet, I.more » Bloch, et al., Science 334 (2011) 200]. In two spatial dimensions, the parity order parameter can be expressed in terms of an equal time Wilson loop of a non-trivial U(1) gauge theory in 2+1 dimensions which exhibits a transition between a Coulomb and a confining phase. The negative logarithm of the parity order parameter obeys a perimeter law in the Mott insulator and is enhanced by a logarithmic factor in the superfluid. -- Highlights: •Number statistics of cold atoms in optical lattices show non-local correlations. •These correlations are measurable via single site resolution imaging. •Incompressible phases exhibit an area law in particle number fluctuations. •This leads to long-range parity order of Mott-insulators in one dimension. •Parity order in 2d is connected with a Wilson-loop in a lattice gauge theory.« less

The level structure of 124Sb and residual p-n interactions

NASA Astrophysics Data System (ADS)

Alexeev, V. L.; Kondurov, I. A.; Loglnov, Yu. E.; Martynov, V. V.; Sakharov, S. L.; Sushkov, P. A.; Börner, H. G.; Davidson, W. F.; Pinston, J. A.; Schreckenbach, K.

1980-08-01

Gamma and conversion electron spectra following the 123Sb(n, γ) 124Sb reaction in the energy range 35-1030 keV and 16-600 keV, respectively, have been studied with bent crystal and magnetic spectrometers. Gamma-gamma coincidences in the energy range 40-500 keV have been investigated with a Ge(Li)-Ge(Li) arrangement. Gamma-gamma delayed coincidences have been taken with two Ge(Li) detectors in the range 0-10 μs and with a Ge(Li) detector and plastic scintillator in the range 0-300 ns. The 124Sb level scheme involving 40 excited states up to 1060 keV has been constructed. Parity is determined for all the levels. Unique spin values are assigned to 30 levels. The half-lives of the 40.804, 80.764, 125.231 and 248.369 keV levels have been measured to be 3.2 ± 0.3 μs, 4 ± 1 ns, 86 ± 2 ns and 380 ± 70 ps respectively. It is shown that the present level scheme energies differ from those previously found in the 123Sb(d, p) 124Sb reaction by a systematic shift of 40 keV. The (n, γ) levels are found to match up well with those from the (d, p), (n res, γ) and (n, γ primary) reactions. A comparison of the 124Sb level scheme from the (n, γ) reaction with that from the (d, p) reaction and with the 122Sb level scheme enabled the identification of the p g{7}/{2}ns {1}/{2}, p g{7}/{2}n d{3}/{2} π g{7}/{2}ν h{11}/{2}and π d{5}/{2}ν h{11}/{2} two-quasiparticle multiplets. Energy splittings of these p-n configurations by residual interactions taken as a combination of short-range Wigner, singlet and tensor forces have been calculated. It is shown that in order to reproduce experimental branching ratios, configuration mixing should be taken into account, though the amplitudes needed for the admixed configurations are rather small and are, on the average, equal to 0.25. It is also shown that the parameters of residual interactions are about constant in the mass range A = 48 → 210, namely, the parameter of Wigner forces V0 = -32 ± 6 MeV, the singlet force parameter V1 = 14 ± 6 MeV and the range parameter r0 = 1.9 ± 0.3 fm. The occupation numbers of neutrons in the 1 h{11}/{2} subshell in the range A = 110 → 134 and of protons in the 2 d{5}/{2} and 1 g{7}/{2} subshells in the range A = 122 → 142 are determined.

Innovative methodologies and technologies for thermal energy release measurement.

NASA Astrophysics Data System (ADS)

Marotta, Enrica; Peluso, Rosario; Avino, Rosario; Belviso, Pasquale; Caliro, Stefano; Carandente, Antonio; Chiodini, Giovanni; Mangiacapra, Annarita; Petrillo, Zaccaria; Sansivero, Fabio; Vilardo, Giuseppe; Marfe, Barbara

2016-04-01

Volcanoes exchange heat, gases and other fluids between the interrior of the Earth and its atmosphere influencing processes both at the surface and above it. This work is devoted to improve the knowledge on the parameters that control the anomalies in heat flux and chemical species emissions associated with the diffuse degassing processes of volcanic and hydrothermal zones. We are studying and developing innovative medium range remote sensing technologies to measure the variations through time of heat flux and chemical emissions in order to boost the definition of the activity state of a volcano and allowing a better assessment of the related hazard and risk mitigation. The current methodologies used to measure heat flux (i.e. CO2 flux or temperature gradient) are either poorly efficient or effective, and are unable to detect short to medium time (days to months) variation trends in the heat flux. Remote sensing of these parameters will allow for measurements faster than already accredited methods therefore it will be both more effective and efficient in case of emergency and it will be used to make quick routine monitoring. We are currently developing a method based on drone-born IR cameras to measure the ground surface temperature that, in a purely conductive regime, is directly correlated to the shallow temperature gradient. The use of flying drones will allow to quickly obtain a mapping of areas with thermal anomalies and a measure of their temperature at distance in the order of hundreds of meters. Further development of remote sensing will be done through the use, on flying drones, of multispectral and/or iperspectral sensors, UV scanners in order to be able to detect the amount of chemical species released in the athmosphere.

Dormant Comets in the Near-Earth Asteroid Population

NASA Astrophysics Data System (ADS)

Mommert, Michael; Harris, Alan W.; Mueller, Michael; Hora, Joseph L.; Trilling, David E.; Knight, Matthew; Bottke, William F.; Thomas, Cristina; Delbo', Marco; Emery, Josh P.; Fazio, Giovanni; Smith, Howard A.

2015-11-01

The population of near-Earth objects comprises active comets and asteroids, covering a wide range of dynamical parameters and physical properties. Dormant (or extinct) comets, masquerading as asteroids, have long been suspected of supplementing the near-Earth asteroid (NEA) population. We present a search for asteroidal objects of cometary origin based on dynamical and physical considerations. Our study is based on albedos derived within the ExploreNEOs program and is extended by adding data from NEOWISE and the Akari asteroid catalog. We use a statistical approach to identify asteroids on orbits that resemble those of short-period near-Earth comets using the Tisserand parameter with respect to Jupiter, the aphelion distance, and the minimum orbital intersection distance with respect to Jupiter. We identify a total of 23 near-Earth asteroids from our sample that are likely to be dormant short-period near-Earth comets and, based on a de-biasing procedure applied to the cryogenic NEOWISE survey, estimate both magnitude-limited and size-limited fractions of the NEA population that are dormant short-period comets. We find that 0.3-3.3% of the NEA population with H <= 21, and 9(+2/-5)% of the population with diameters d >= 1 km, are dormant short-period near-Earth comets. We also present an observation program that utilizes the 1.8m Vatican Advanced Technology Telescope (VATT) on Mt. Graham, AZ, to identify dormant comet candidates and search for activity in these objects. Our targets are NEAs on comet-like orbits, based on the dynamical criteria derived in the above study, that are accessible with the VATT (V <= 22). We identify dormant comets based on their optical spectral slope, represented by V-R color measurements, as albedo measurements for most of these objects are not available. For each target we measure and monitor its V magnitude in order to reveal activity outbreaks. We also search for extended emission around our targets using deep imaging and a point-spread-function subtraction technique that allows us to obtain an upper limit on the dust production rate in each target. We present preliminary results from this program. This work is supported in part by funding from the Spitzer Science Center.

Infinitely Robust Order and Local Order-Parameter Tulips in Apollonian Networks with Quenched Disorder

NASA Astrophysics Data System (ADS)

Nadir Kaplan, C.; Hinczewski, Michael; Berker, A. Nihat

2009-03-01

For a variety of quenched random spin systems on an Apollonian network, including ferromagnetic and antiferromagnetic bond percolation and the Ising spin glass, we find the persistence of ordered phases up to infinite temperature over the entire range of disorder.[1] We develop a renormalization-group technique that yields highly detailed information, including the exact distributions of local magnetizations and local spin-glass order parameters, which turn out to exhibit, as function of temperature, complex and distinctive tulip patterns. [1] C.N. Kaplan, M. Hinczewski, and A.N. Berker, arXiv:0811.3437v1 [cond-mat.dis-nn] (2008).

Dynamo onset as a first-order transition: lessons from a shell model for magnetohydrodynamics.

PubMed

Sahoo, Ganapati; Mitra, Dhrubaditya; Pandit, Rahul

2010-03-01

We carry out systematic and high-resolution studies of dynamo action in a shell model for magnetohydrodynamic (MHD) turbulence over wide ranges of the magnetic Prandtl number PrM and the magnetic Reynolds number ReM. Our study suggests that it is natural to think of dynamo onset as a nonequilibrium first-order phase transition between two different turbulent, but statistically steady, states. The ratio of the magnetic and kinetic energies is a convenient order parameter for this transition. By using this order parameter, we obtain the stability diagram (or nonequilibrium phase diagram) for dynamo formation in our MHD shell model in the (PrM-1,ReM) plane. The dynamo boundary, which separates dynamo and no-dynamo regions, appears to have a fractal character. We obtain a hysteretic behavior of the order parameter across this boundary and suggestions of nucleation-type phenomena.

Ordering process in the diffusively coupled logistic lattice

NASA Astrophysics Data System (ADS)

Conrado, Claudine V.; Bohr, Tomas

1991-08-01

We study the ordering process in a lattice of diffusively coupled logistic maps for increasing lattice size. Within a window of parameters, the system goes into a weakly chaotic state with long range "antiferromagnetic" order. This happens for arbitrary lattice size L and the ordering time behaves as t ~ L2 as we would expect from a picture of diffusing defects.

Revealing hidden antiferromagnetic correlations in doped Hubbard chains via string correlators

NASA Astrophysics Data System (ADS)

Hilker, Timon A.; Salomon, Guillaume; Grusdt, Fabian; Omran, Ahmed; Boll, Martin; Demler, Eugene; Bloch, Immanuel; Gross, Christian

2017-08-01

Topological phases, like the Haldane phase in spin-1 chains, defy characterization through local order parameters. Instead, nonlocal string order parameters can be employed to reveal their hidden order. Similar diluted magnetic correlations appear in doped one-dimensional lattice systems owing to the phenomenon of spin-charge separation. Here we report on the direct observation of such hidden magnetic correlations via quantum gas microscopy of hole-doped ultracold Fermi-Hubbard chains. The measurement of nonlocal spin-density correlation functions reveals a hidden finite-range antiferromagnetic order, a direct consequence of spin-charge separation. Our technique, which measures nonlocal order directly, can be readily extended to higher dimensions to study the complex interplay between magnetic order and density fluctuations.

Effect of impregnation pressure and time on the porosity, structure and properties of polyacrylonitrile-fiber based carbon composites

NASA Astrophysics Data System (ADS)

Venugopalan, Ramani; Roy, Mainak; Thomas, Susy; Patra, A. K.; Sathiyamoorthy, D.; Tyagi, A. K.

2013-02-01

Carbon-carbon composites may find applications in critical parts of advanced nuclear reactors. A series of carbon-carbon composites were prepared using polyacrylonitrile (PAN) based carbon fibers. The materials were densified by impregnating two-dimensional (2D) preforms with liquid phenol formaldehyde resin at different pressures and for different periods of time and then carbonizing those by slowly heating at 1000 °C. Effects of the processing parameters on the structure of the composites were extensively studied. The study showed conclusively that open porosity decreased with increasing impregnation pressure, whereas impregnation time had lesser effect. Matrix-resin bonding also improved at higher pressure. d002 spacing decreased and ordering along c-axis increased with concomitant increase in sp2-carbon fraction at higher impregnation pressures. The fiber reinforced composites exhibited short range ordering of carbon atoms and satisfied structural conditions (d002 values) of amorphous carbon according to the turbostratic model for non-graphitic carbon materials. The composites had pellet-density of ˜85% of the theoretical value, low thermal expansion and negligible neutron-poisoning. They maintained structural integrity and retained disordered nature even on heat-treatment at ca. 1800 °C.

A low-order model of the equatorial ocean-atmosphere system

NASA Astrophysics Data System (ADS)

Legnani, Roberto

A low order model of the equatorial ocean-atmosphere coupled system is presented. The model atmosphere includes a hydrological cycle with cloud-radiation interaction. The model ocean is based on mixed layer dynamics with a parameterization of entrainment processes. The coupling takes place via transfer to momentum, sensible heat, latent heat and short wave and long wave radiation through the ocean surface. The dynamical formulation is that of the primitive equations of an equatorial beta-plane, with zonally periodic and meridionally infinite geometry. The system is expanded into the set of normal modes pertinent to the linear problem and severly truncated to a few modes; 54 degrees of freedom are retained. Some nonlinear terms of the equations are evaluated in physical space and then projected onto the functional space; other terms are evaluated directly in the functional space. Sensitivity tests to variations of the parameters are performed, and some results from 10-year initial value simulations are presented. The model is capable of supporting oscillations of different time scales, ranging from a few days to a few years; it prefers a particular zonally asymmetric state, but temporarily switches to a different (opposite) zonally asymmetric state in an event-like fashion.

a Low-Order Model of the Equatorial Ocean-Atmosphere System.

NASA Astrophysics Data System (ADS)

Legnani, Roberto

A low order model of the equatorial ocean-atmosphere coupled system is presented. The model atmosphere includes a hydrological cycle with cloud-radiation interaction. The model ocean is based on mixed layer dynamics with a parameterization of entrainment processes. The coupling takes place via transfer to momentum, sensible heat, latent heat and short -wave and long-wave radiation through the ocean surface. The dynamical formulation is that of the primitive equations of an equatorial beta-plane, with zonally periodic and meridionally infinite geometry. The system is expanded into the set of normal modes pertinent to the linear problem and severely truncated to a few modes; 54 degrees of freedom are retained. Some nonlinear terms of the equations are evaluated in physical space and then projected onto the functional space; other terms are evaluated directly in the functional space. Sensitivity tests to variations of the parameters are performed, and some results from 10-year initial value simulations are presented. The model is capable of supporting oscillations of different time scales, ranging from a few days to a few years; it prefers a particular zonally asymmetric state, but temporarily switches to a different (opposite) zonally asymmetric state in an event-like fashion.

Fourier Magnitude-Based Privacy-Preserving Clustering on Time-Series Data

NASA Astrophysics Data System (ADS)

Kim, Hea-Suk; Moon, Yang-Sae

Privacy-preserving clustering (PPC in short) is important in publishing sensitive time-series data. Previous PPC solutions, however, have a problem of not preserving distance orders or incurring privacy breach. To solve this problem, we propose a new PPC approach that exploits Fourier magnitudes of time-series. Our magnitude-based method does not cause privacy breach even though its techniques or related parameters are publicly revealed. Using magnitudes only, however, incurs the distance order problem, and we thus present magnitude selection strategies to preserve as many Euclidean distance orders as possible. Through extensive experiments, we showcase the superiority of our magnitude-based approach.

78 FR 41163 - Self-Regulatory Organizations; NASDAQ OMX PHLX LLC; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-09

... Parameter (``ACE Parameter'') in Rule 1080.08(i), which is the price range outside of which a Complex Order.... Proposed new language is italicized; deleted text is in brackets. * * * * * Rule 1080. Phlx XL and Phlx XL...\\ See Rule 1080.08(a). Currently, the ACE Parameter is always a percentage, not less than 3 percent. The...

Switching plastic crystals of colloidal rods with electric fields

PubMed Central

Liu, Bing; Besseling, Thijs H.; Hermes, Michiel; Demirörs, Ahmet F.; Imhof, Arnout; van Blaaderen, Alfons

2014-01-01

When a crystal melts into a liquid both long-ranged positional and orientational order are lost, and long-time translational and rotational self-diffusion appear. Sometimes, these properties do not change at once, but in stages, allowing states of matter such as liquid crystals or plastic crystals with unique combinations of properties. Plastic crystals/glasses are characterized by long-ranged positional order/frozen-in-disorder but short-ranged orientational order, which is dynamic. Here we show by quantitative three-dimensional studies that charged rod-like colloidal particles form three-dimensional plastic crystals and glasses if their repulsions extend significantly beyond their length. These plastic phases can be reversibly switched to full crystals by an electric field. These new phases provide insight into the role of rotations in phase behaviour and could be useful for photonic applications. PMID:24446033

Switching plastic crystals of colloidal rods with electric fields

NASA Astrophysics Data System (ADS)

Liu, Bing; Besseling, Thijs H.; Hermes, Michiel; Demirörs, Ahmet F.; Imhof, Arnout; van Blaaderen, Alfons

2014-01-01

When a crystal melts into a liquid both long-ranged positional and orientational order are lost, and long-time translational and rotational self-diffusion appear. Sometimes, these properties do not change at once, but in stages, allowing states of matter such as liquid crystals or plastic crystals with unique combinations of properties. Plastic crystals/glasses are characterized by long-ranged positional order/frozen-in-disorder but short-ranged orientational order, which is dynamic. Here we show by quantitative three-dimensional studies that charged rod-like colloidal particles form three-dimensional plastic crystals and glasses if their repulsions extend significantly beyond their length. These plastic phases can be reversibly switched to full crystals by an electric field. These new phases provide insight into the role of rotations in phase behaviour and could be useful for photonic applications.

Understanding short-chain fatty acids accumulation enhanced in waste activated sludge alkaline fermentation: kinetics and microbiology.

PubMed

Zhang, Peng; Chen, Yinguang; Zhou, Qi; Zheng, Xiong; Zhu, Xiaoyu; Zhao, Yuxiao

2010-12-15

Most of the studies on sewage sludge treatment in literature were conducted for methane generation under acidic or near neutral pH conditions. It was reported in our previous studies that the accumulation of short-chain fatty acids (SCFAs), the preferred carbon source of biological wastewater nutrient removal, was significantly enhanced when sludge was fermented under alkaline conditions, but the optimal pH was temperature-dependent (pH 10 at ambient temperature, pH 9 at mesophilic, and pH 8 at thermophilic), and the maximal SCFAs yields were in the following order: thermophilic pH 8 > mesophilic pH 9 > ambient pH 10 > ambient uncontrolled pH. In this study the kinetic and microbiological features of waste activated sludge fermented in the range of pH 7-10 were investigated to understand the mechanism of remarkably high SCFAs accumulation under alkaline conditions. The developed sludge alkaline fermentation model could be applied to predicate the experimental data in either batch or semicontinuous sludge alkaline fermentation tests, and the relationships among alkaline pH, kinetic parameters, and SCFAs were discussed. Further analyses with fluorescence in situ hybridization (FISH) and PCR-based 16S rRNA gene clone library indicated that both the ratio of bacteria to archaea and the fraction of SCFAs producer accounting for bacteria were in the sequence of thermophilic pH 8 > mesophilic pH 9 > ambient pH 10 > ambient uncontrolled pH, which was in correspondence with the observed order of maximal SCFAs yields.

Multivariate analysis of organic acids in fermented food from reversed-phase high-performance liquid chromatography data.

PubMed

Mortera, Pablo; Zuljan, Federico A; Magni, Christian; Bortolato, Santiago A; Alarcón, Sergio H

2018-02-01

Multivariate calibration coupled to RP-HPLC with diode array detection (HPLC-DAD) was applied to the identification and the quantitative evaluation of the short chain organic acids (malic, oxalic, formic, lactic, acetic, citric, pyruvic, succinic, tartaric, propionic and α-cetoglutaric) in fermented food. The goal of the present study was to get the successful resolution of a system in the combined occurrence of strongly coeluting peaks, of distortions in the time sensors among chromatograms, and of the presence of unexpected compounds not included in the calibration step. Second-order HPLC-DAD data matrices were obtained in a short time (10min) on a C18 column with a chromatographic system operating in isocratic mode (mobile phase was 20mmolL -1 phosphate buffer at pH 2.20) and a flow-rate of 1.0mLmin -1 at room temperature. Parallel factor analysis (PARAFAC) and unfolded partial least-squares combined with residual bilinearization (U-PLS/RBL) were the second-order calibration algorithms select for data processing. The performance of the analytical parameters was good with an outstanding limit of detection (LODs) for acids ranging from 0.15 to 10.0mmolL -1 in the validation samples. The improved method was applied to the analysis of many dairy products (yoghurt, cultured milk and cheese) and wine. The method was shown as an effective means for determining and following acid contents in fermented food and was characterized by reducibility with simple, high resolution and rapid procedure without derivatization of analytes. Copyright © 2017 Elsevier B.V. All rights reserved.

Interstellar lines in high resolution IUE spectra. Part 1: Groningen data reduction package and technical results

NASA Astrophysics Data System (ADS)

Gilra, D. P.; Pwa, T. H.; Arnal, E. M.; de Vries, J.

1982-06-01

In order to process and analyze high resolution IUE data on a large number of interstellar lines in a large number of images for a large number of stars, computer programs were developed for 115 lines in the short wavelength range and 40 in the long wavelength range. Programs include extraction, processing, plotting, averaging, and profile fitting. Wavelength calibration in high resolution spectra, fixed pattern noise, instrument profile and resolution, and the background problem in the region where orders are crowding are discussed. All the expected lines are detected in at least one spectrum.

Network structure of SiO2 and MgSiO3 in amorphous and liquid States

NASA Astrophysics Data System (ADS)

Lan, Mai Thi; Thuy Duong, Tran; Viet Huy, Nguyen; Van Hong, Nguyen

2017-03-01

Network structure of SiO2 and MgSiO3 at 300 K and 3200 K is investigated by molecular dynamics simulation and visualization of simulation data. Structural organization of SiO2 and MgSiO3 is clarified via analysis the short range order (SRO) and intermediate range order (IRO). Network topology is determined via analyzing the bond between structural units, the cluster of structural units as well as spatial distribution of structural units. The polyamorphism as well as structural and dynamic heterogeneities are also discussed in this work.

The morphological heterogeneity of cricket flow-sensing hairs conveys the complex flow signature of predator attacks.

PubMed

Steinmann, Thomas; Casas, Jérôme

2017-06-01

Arthropod flow-sensing hair length ranges over more than an order of magnitude, from 0.1 to 5 mm. Previous studies repeatedly identified the longest hairs as the most sensitive, but recent studies identified the shortest hairs as the most responsive. We resolved this apparent conflict by proposing a new model, taking into account both the initial and long-term aspects of the flow pattern produced by a lunging predator. After the estimation of the mechanical parameters of hairs, we measured the flow produced by predator mimics and compared the predicted and observed values of hair displacements in this flow. Short and long hairs respond over different time scales during the course of an attack. By harbouring a canopy of hairs of different lengths, forming a continuum, the insect can fractionize these moments. Short hairs are more agile, but are less able to harvest energy from the air. This may result in longer hairs firing their neurons earlier, despite their slower deflection. The complex interplay between hair agility and sensitivity is also modulated by the predator distance and the attack speed, characteristics defining flow properties. We conclude that the morphological heterogeneity of the hair canopy mirrors the flow complexity of an entire attack, from launch to grasp. © 2017 The Author(s).

Extremely short relativistic-electron-bunch generation in the laser wakefield via novel bunch injection scheme

NASA Astrophysics Data System (ADS)

Khachatryan, A. G.; van Goor, F. A.; Boller, K.-J.; Reitsma, A. J.; Jaroszynski, D. A.

2004-12-01

Recently a new electron-bunch injection scheme for the laser wakefield accelerator has been proposed [

Order parameters from image analysis: a honeycomb example

NASA Astrophysics Data System (ADS)

Kaatz, Forrest H.; Bultheel, Adhemar; Egami, Takeshi

2008-11-01

Honeybee combs have aroused interest in the ability of honeybees to form regular hexagonal geometric constructs since ancient times. Here we use a real space technique based on the pair distribution function (PDF) and radial distribution function (RDF), and a reciprocal space method utilizing the Debye-Waller Factor (DWF) to quantify the order for a range of honeycombs made by Apis mellifera ligustica. The PDFs and RDFs are fit with a series of Gaussian curves. We characterize the order in the honeycomb using a real space order parameter, OP 3 , to describe the order in the combs and a two-dimensional Fourier transform from which a Debye-Waller order parameter, u, is derived. Both OP 3 and u take values from [0, 1] where the value one represents perfect order. The analyzed combs have values of OP 3 from 0.33 to 0.60 and values of u from 0.59 to 0.69. RDF fits of honeycomb histograms show that naturally made comb can be crystalline in a 2D ordered structural sense, yet is more ‘liquid-like’ than cells made on ‘foundation’ wax. We show that with the assistance of man-made foundation wax, honeybees can manufacture highly ordered arrays of hexagonal cells. This is the first description of honeycomb utilizing the Debye-Waller Factor, and provides a complete analysis of the order in comb from a real-space order parameter and a reciprocal space order parameter. It is noted that the techniques used are general in nature and could be applied to any digital photograph of an ordered array.

Substrate strain induced interaction of adatoms on W (110)

NASA Astrophysics Data System (ADS)

Kappus, W.

1980-09-01

The interaction of adatoms due to elastic strains created in an elastically isotropic substrate is investigated. For cases where the adatoms occupy sites with low symmetry, an angular dependent interaction results which falls off as s-3 at large distances. An exact expression is given for the long range interaction in terms of an anisotropy parameter of the force dipole tensor. The short range interaction is calculated by introducing a smooth cutoff. Interactions of adatoms on near neighbour sites on W (110) are given.

Hybrid Theory of Electron-Hydrogenic Systems Elastic Scattering

NASA Technical Reports Server (NTRS)

Bhatia, A. K.

2007-01-01

Accurate electron-hydrogen and electron-hydrogenic cross sections are required to interpret fusion experiments, laboratory plasma physics and properties of the solar and astrophysical plasmas. We have developed a method in which the short-range and long-range correlations can be included at the same time in the scattering equations. The phase shifts have rigorous lower bounds and the scattering lengths have rigorous upper bounds. The phase shifts in the resonance region can be used to calculate very accurately the resonance parameters.

Jefferson Lab Experimental Hall C

NASA Astrophysics Data System (ADS)

Carlini, Roger D.

1996-10-01

Jefferson Lab's Hall C went into initial operation in November 1995. The hall has a short orbit spectrometer (SOS) for short-lived particles such as pions and kaons and a high-momentum spectrometer (HMS) usually used for electrons. The SOS can also be used for protons. The HMS can range to 7 GeV/c. Both the SOS and HMS have typical resolutions of (10-3). Experiments for this hall range from measuring the neutron electric form factor, to color transparency, to creating strange nuclei. This paper will present the optical capabilities of the spectrometers, the parameters of the detection systems, and the overall beam line characteristics of the hall as determined from the results from the recent physics experiments along with the upcoming experimental schedule. Additional information is available at URL http://www.cebaf.gov/hallc.html.

A parameter optimization approach to controller partitioning for integrated flight/propulsion control application

NASA Technical Reports Server (NTRS)

Schmidt, Phillip; Garg, Sanjay; Holowecky, Brian

1992-01-01

A parameter optimization framework is presented to solve the problem of partitioning a centralized controller into a decentralized hierarchical structure suitable for integrated flight/propulsion control implementation. The controller partitioning problem is briefly discussed and a cost function to be minimized is formulated, such that the resulting 'optimal' partitioned subsystem controllers will closely match the performance (including robustness) properties of the closed-loop system with the centralized controller while maintaining the desired controller partitioning structure. The cost function is written in terms of parameters in a state-space representation of the partitioned sub-controllers. Analytical expressions are obtained for the gradient of this cost function with respect to parameters, and an optimization algorithm is developed using modern computer-aided control design and analysis software. The capabilities of the algorithm are demonstrated by application to partitioned integrated flight/propulsion control design for a modern fighter aircraft in the short approach to landing task. The partitioning optimization is shown to lead to reduced-order subcontrollers that match the closed-loop command tracking and decoupling performance achieved by a high-order centralized controller.

A parameter optimization approach to controller partitioning for integrated flight/propulsion control application

NASA Technical Reports Server (NTRS)

Schmidt, Phillip H.; Garg, Sanjay; Holowecky, Brian R.

1993-01-01

A parameter optimization framework is presented to solve the problem of partitioning a centralized controller into a decentralized hierarchical structure suitable for integrated flight/propulsion control implementation. The controller partitioning problem is briefly discussed and a cost function to be minimized is formulated, such that the resulting 'optimal' partitioned subsystem controllers will closely match the performance (including robustness) properties of the closed-loop system with the centralized controller while maintaining the desired controller partitioning structure. The cost function is written in terms of parameters in a state-space representation of the partitioned sub-controllers. Analytical expressions are obtained for the gradient of this cost function with respect to parameters, and an optimization algorithm is developed using modern computer-aided control design and analysis software. The capabilities of the algorithm are demonstrated by application to partitioned integrated flight/propulsion control design for a modern fighter aircraft in the short approach to landing task. The partitioning optimization is shown to lead to reduced-order subcontrollers that match the closed-loop command tracking and decoupling performance achieved by a high-order centralized controller.

Absence of long-range order in the frustrated magnet SrDy2O4 due to trapped defects from a dimensionality crossover

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.

A new, sophisticated test of the Binary Black Hole Hypothesis for Quasars with Double-peaked Broad Balmer Lines.

NASA Astrophysics Data System (ADS)

Nguyen Duy Doan, Anh; Eracleous, Michael; Runnoe, Jessie; Halpern, Jules P.; Liu, Jia; Mathes, Gavin; Flohic, Helene M. L. G.

2018-01-01

Displaced peaks in the Balmer lines of quasars could serve as indirect evidence for the existence of close, bound supermassive black hole binaries (SBHBs) at sub-parsec separations. In this work, we test the SBHB hypothesis for 14 quasars with double-peaked emission lines using their long-term radial velocity curves. We make use of a Markov Chain Monte Carlo method to explore the parameter space efficiently. Compared to previous works, we have relaxed the assumption of circular orbits, adding two parameters (eccentricity and argument of periapsis) to the parameter space. We also account for jitter, i.e., short-term fluctuations in the radial velocity curves due to processes that are intrinsic to an individual broad-line region. We have found that the distribution of jitter about a smooth radial velocity curve resembles a Gaussian. Thus, jitter is equivalent to increasing measurement uncertainty in individual measurements. The resulting posterior distributions show the lower mass limit of the SBHBs to be in the range of 10^8 - 10^11 solar masses. For several objects, the mass limit drops by a few orders of magnitude compared to previous results by Liu et. al. However, we note that solutions corresponding to minimum masses often require very high orbital eccentricity ( > 0.9). We also calculate the orbital decay timescale of the binaries due to gravitational radiation, finding values in the range 10^6 - 10^11 years; these values correspond to the minimum-mass solutions. For one third of our targets, we can confidently disfavor the SBHB hypothesis on the basis that the minimum mass exceeds even the most massive black holes measured so far (2 x 10^10 solar masses). For the remaining objects, we must take into account the plausibility of a variety of parameters (e.g. eccentricity, lifetime, etc.) in our evaluation.

Developpement de techniques numeriques pour l'estimation, la modelisation et la prediction de proprietes thermodynamiques et structurales de systems metalliques a fort ordonnancement chimique

NASA Astrophysics Data System (ADS)

Harvey, Jean-Philippe

In this work, the possibility to calculate and evaluate with a high degree of precision the Gibbs energy of complex multiphase equilibria for which chemical ordering is explicitly and simultaneously considered in the thermodynamic description of solid (short range order and long range order) and liquid (short range order) metallic phases is studied. The cluster site approximation (CSA) and the cluster variation method (CVM) are implemented in a new minimization technique of the Gibbs energy of multicomponent and multiphase systems to describe the thermodynamic behaviour of metallic solid solutions showing strong chemical ordering. The modified quasichemical model in the pair approximation (MQMPA) is also implemented in the new minimization algorithm presented in this work to describe the thermodynamic behaviour of metallic liquid solutions. The constrained minimization technique implemented in this work consists of a sequential quadratic programming technique based on an exact Newton’s method (i.e. the use of exact second derivatives in the determination of the Hessian of the objective function) combined to a line search method to identify a direction of sufficient decrease of the merit function. The implementation of a new algorithm to perform the constrained minimization of the Gibbs energy is justified by the difficulty to identify, in specific cases, the correct multiphase assemblage of a system where the thermodynamic behaviour of the equilibrium phases is described by one of the previously quoted models using the FactSage software (ex.: solid_CSA+liquid_MQMPA; solid1_CSA+solid2_CSA). After a rigorous validation of the constrained Gibbs energy minimization algorithm using several assessed binary and ternary systems found in the literature, the CVM and the CSA models used to describe the energetic behaviour of metallic solid solutions present in systems with key industrial applications such as the Cu-Zr and the Al-Zr systems are parameterized using fully consistent thermodynamic an structural data generated from a Monte Carlo (MC) simulator also implemented in the framework of this project. In this MC simulator, the modified embedded atom model in the second nearest neighbour formalism (MEAM-2NN) is used to describe the cohesive energy of each studied structure. A new Al-Zr MEAM-2NN interatomic potential needed to evaluate the cohesive energy of the condensed phases of this system is presented in this work. The thermodynamic integration (TI) method implemented in the MC simulator allows the evaluation of the absolute Gibbs energy of the considered solid or liquid structures. The original implementation of the TI method allowed us to evaluate theoretically for the first time all the thermodynamic mixing contributions (i.e., mixing enthalpy and mixing entropy contributions) of a metallic liquid (Cu-Zr and Al-Zr) and of a solid solution (face-centered cubic (FCC) Al-Zr solid solution) described by the MEAM-2NN. Thermodynamic and structural data obtained from MC and molecular dynamic simulations are then used to parameterize the CVM for the Al-Zr FCC solid solution and the MQMPA for the Al-Zr and the Cu-Zr liquid phase respectively. The extended thermodynamic study of these systems allow the introduction of a new type of configuration-dependent excess parameters in the definition of the thermodynamic function of solid solutions described by the CVM or the CSA. These parameters greatly improve the precision of these thermodynamic models based on experimental evidences found in the literature. A new parameterization approach of the MQMPA model of metallic liquid solutions is presented throughout this work. In this new approach, calculated pair fractions obtained from MC/MD simulations are taken into account as well as configuration-independent volumetric relaxation effects (regular like excess parameters) in order to parameterize precisely the Gibbs energy function of metallic melts. The generation of a complete set of fully consistent thermodynamic, physical and structural data for solid, liquid, and stoichiometric compounds and the subsequent parameterization of their respective thermodynamic model lead to the first description of the complete Al-Zr phase diagram in the range of composition [0 ≤ XZr ≤ 5 / 9] based on theoretical and fully consistent thermodynamic properties. MC and MD simulations are performed for the Al-Zr system to define for the first time the precise thermodynamic behaviour of the amorphous phase for its entire range of composition. Finally, all the thermodynamic models for the liquid phase, the FCC solid solution and the amorphous phase are used to define conditions based on thermodynamic and volumetric considerations that favor the amorphization of Al-Zr alloys.

Study of the back recombination processes of PbS quantum dots sensitized solar cells

NASA Astrophysics Data System (ADS)

Badawi, Ali; Al-Hosiny, N.; Merazga, Amar; Albaradi, Ateyyah M.; Abdallah, S.; Talaat, H.

2016-12-01

In this study, the back recombination processes of PbS quantum dots sensitized solar cells (QDSSCs) has been investigated. PbS QDs were adsorbed onto titania electrodes to act the role of sensitizers using successive ionic layer adsorption and reaction (SILAR) technique. The energy band gaps of the synthesized PbS QDs/titania are ranged from 1.64 eV (corresponding to 756 nm) to 3.12 eV (397 nm) matching the whole visible solar spectrum. The hyperbolic band model (HBM) was used to calculate PbS QDs size and it ranges from 1.76 to 3.44 nm. The photovoltaic parameters (open circuit voltage Voc, short circuit current density Jsc, fill factor FF and efficiency η) of the assembled PbS QDs sensitized solar cells (QDSSCs) were determined under a solar illumination of 100 mW/cm2 (AM 1.5 conditions). The open circuit voltage-decay (OCVD) rates of the assembled PbS QDSSCs were measured. The time constant (τ) for PbS QDSSCs (4 SILAR cycles) shows one order of magnitude larger than that of PbS QDSSCs (8 SILAR cycles) as a result of a decreased electron-hole back recombination.

Combining Density Functional Theory and Green's Function Theory: Range-Separated, Nonlocal, Dynamic, and Orbital-Dependent Hybrid Functional.

PubMed

Kananenka, Alexei A; Zgid, Dominika

2017-11-14

We present a rigorous framework which combines single-particle Green's function theory with density functional theory based on a separation of electron-electron interactions into short- and long-range components. Short-range contribution to the total energy and exchange-correlation potential is provided by a density functional approximation, while the long-range contribution is calculated using an explicit many-body Green's function method. Such a hybrid results in a nonlocal, dynamic, and orbital-dependent exchange-correlation functional of a single-particle Green's function. In particular, we present a range-separated hybrid functional called srSVWN5-lrGF2 which combines the local-density approximation and the second-order Green's function theory. We illustrate that similarly to density functional approximations, the new functional is weakly basis-set dependent. Furthermore, it offers an improved description of the short-range dynamic correlation. The many-body contribution to the functional mitigates the many-electron self-interaction error present in many density functional approximations and provides a better description of molecular properties. Additionally, we illustrate that the new functional can be used to scale down the self-energy and, therefore, introduce an additional sparsity to the self-energy matrix that in the future can be exploited in calculations for large molecules or periodic systems.

Parameters optimization using experimental design for headspace solid phase micro-extraction analysis of short-chain chlorinated paraffins in waters under the European water framework directive.

PubMed

Gandolfi, F; Malleret, L; Sergent, M; Doumenq, P

2015-08-07

The water framework directives (WFD 2000/60/EC and 2013/39/EU) force European countries to monitor the quality of their aquatic environment. Among the priority hazardous substances targeted by the WFD, short chain chlorinated paraffins C10-C13 (SCCPs), still represent an analytical challenge, because few laboratories are nowadays able to analyze them. Moreover, an annual average quality standards as low as 0.4μgL(-1) was set for SCCPs in surface water. Therefore, to test for compliance, the implementation of sensitive and reliable analysis method of SCCPs in water are required. The aim of this work was to address this issue by evaluating automated solid phase micro-extraction (SPME) combined on line with gas chromatography-electron capture negative ionization mass spectrometry (GC/ECNI-MS). Fiber polymer, extraction mode, ionic strength, extraction temperature and time were the most significant thermodynamic and kinetic parameters studied. To determine the suitable factors working ranges, the study of the extraction conditions was first carried out by using a classical one factor-at-a-time approach. Then a mixed level factorial 3×2(3) design was performed, in order to give rise to the most influent parameters and to estimate potential interactions effects between them. The most influent factors, i.e. extraction temperature and duration, were optimized by using a second experimental design, in order to maximize the chromatographic response. At the close of the study, a method involving headspace SPME (HS-SPME) coupled to GC/ECNI-MS is proposed. The optimum extraction conditions were sample temperature 90°C, extraction time 80min, with the PDMS 100μm fiber and desorption at 250°C during 2min. Linear response from 0.2ngmL(-1) to 10ngmL(-1) with r(2)=0.99 and limits of detection and quantification, respectively of 4pgmL(-1) and 120pgmL(-1) in MilliQ water, were achieved. The method proved to be applicable in different types of waters and show key advantages, such as simplicity, automation and sensitivity, required for the monitoring programs linked to the WFD. Copyright © 2015 Elsevier B.V. All rights reserved.

NONLINEAR AND FIBER OPTICS: Phase locking of a laser array in the case of different types of multibeam intracavity interaction in nonlinear media

NASA Astrophysics Data System (ADS)

Bel'dyugin, Igor'M.; Alimin, D. D.; Zolotarev, M. V.

1991-03-01

A theoretical investigation is made of the phase locking of a laser array in the case of different types of multibeam intracavity interaction in nonlinear media. The conditions are found under which a long-range coupling of the "all with all" type is established between the lasers and also when only the nearest neighbors interact (short-range coupling). The influence of the number of lasers, frequency offsets of their resonators, and of the coupling coefficients on the phase-locking band is considered. Expressions are obtained for determination of the threshold values of the gain and of the frequency characteristics of cophasal and noncophasal operation of a laser array under long-range and short-range coupling conditions. A study is made of the influence of the parameters of a resonantly absorbing medium on phase locking of a set of lasers and it is shown that in the case of the optimal long-range coupling the phase-locking band is independent of the number of lasers.

Network Bursting Dynamics in Excitatory Cortical Neuron Cultures Results from the Combination of Different Adaptive Mechanism

PubMed Central

Masquelier, Timothée; Deco, Gustavo

2013-01-01

In the brain, synchronization among cells of an assembly is a common phenomenon, and thought to be functionally relevant. Here we used an in vitro experimental model of cell assemblies, cortical cultures, combined with numerical simulations of a spiking neural network (SNN) to investigate how and why spontaneous synchronization occurs. In order to deal with excitation only, we pharmacologically blocked GABAAergic transmission using bicuculline. Synchronous events in cortical cultures tend to involve almost every cell and to display relatively constant durations. We have thus named these “network spikes” (NS). The inter-NS-intervals (INSIs) proved to be a more interesting phenomenon. In most cortical cultures NSs typically come in series or bursts (“bursts of NSs”, BNS), with short (∼1 s) INSIs and separated by long silent intervals (tens of s), which leads to bimodal INSI distributions. This suggests that a facilitating mechanism is at work, presumably short-term synaptic facilitation, as well as two fatigue mechanisms: one with a short timescale, presumably short-term synaptic depression, and another one with a longer timescale, presumably cellular adaptation. We thus incorporated these three mechanisms into the SNN, which, indeed, produced realistic BNSs. Next, we systematically varied the recurrent excitation for various adaptation timescales. Strong excitability led to frequent, quasi-periodic BNSs (CV∼0), and weak excitability led to rare BNSs, approaching a Poisson process (CV∼1). Experimental cultures appear to operate within an intermediate weakly-synchronized regime (CV∼0.5), with an adaptation timescale in the 2–8 s range, and well described by a Poisson-with-refractory-period model. Taken together, our results demonstrate that the INSI statistics are indeed informative: they allowed us to infer the mechanisms at work, and many parameters that we cannot access experimentally. PMID:24146781

Variations in algorithm implementation among quantitative texture analysis software packages

NASA Astrophysics Data System (ADS)

Foy, Joseph J.; Mitta, Prerana; Nowosatka, Lauren R.; Mendel, Kayla R.; Li, Hui; Giger, Maryellen L.; Al-Hallaq, Hania; Armato, Samuel G.

2018-02-01

Open-source texture analysis software allows for the advancement of radiomics research. Variations in texture features, however, result from discrepancies in algorithm implementation. Anatomically matched regions of interest (ROIs) that captured normal breast parenchyma were placed in the magnetic resonance images (MRI) of 20 patients at two time points. Six first-order features and six gray-level co-occurrence matrix (GLCM) features were calculated for each ROI using four texture analysis packages. Features were extracted using package-specific default GLCM parameters and using GLCM parameters modified to yield the greatest consistency among packages. Relative change in the value of each feature between time points was calculated for each ROI. Distributions of relative feature value differences were compared across packages. Absolute agreement among feature values was quantified by the intra-class correlation coefficient. Among first-order features, significant differences were found for max, range, and mean, and only kurtosis showed poor agreement. All six second-order features showed significant differences using package-specific default GLCM parameters, and five second-order features showed poor agreement; with modified GLCM parameters, no significant differences among second-order features were found, and all second-order features showed poor agreement. While relative texture change discrepancies existed across packages, these differences were not significant when consistent parameters were used.

On the Relationship Between Transfer Function-derived Response Times and Hydrograph Analysis Timing Parameters: Are there Similarities?

NASA Astrophysics Data System (ADS)

Bansah, S.; Ali, G.; Haque, M. A.; Tang, V.

2017-12-01

The proportion of precipitation that becomes streamflow is a function of internal catchment characteristics - which include geology, landscape characteristics and vegetation - and influence overall storage dynamics. The timing and quantity of water discharged by a catchment are indeed embedded in event hydrographs. Event hydrograph timing parameters, such as the response lag and time of concentration, are important descriptors of how long it takes the catchment to respond to input precipitation and how long it takes the latter to filter through the catchment. However, the extent to which hydrograph timing parameters relate to average response times derived from fitting transfer functions to annual hydrographs is unknown. In this study, we used a gamma transfer function to determine catchment average response times as well as event-specific hydrograph parameters across a network of eight nested watersheds ranging from 0.19 km2 to 74.6 km2 prairie catchments located in south central Manitoba (Canada). Various statistical analyses were then performed to correlate average response times - estimated using the parameters of the fitted gamma transfer function - to event-specific hydrograph parameters. Preliminary results show significant interannual variations in response times and hydrograph timing parameters: the former were in the order of a few hours to days, while the latter ranged from a few days to weeks. Some statistically significant relationships were detected between response times and event-specific hydrograph parameters. Future analyses will involve the comparison of statistical distributions of event-specific hydrograph parameters with that of runoff response times and baseflow transit times in order to quantity catchment storage dynamics across a range of temporal scales.

Direct Immersion Annealing of Block Copolymer Thin Films

NASA Astrophysics Data System (ADS)

Karim, Alamgir

We demonstrate ordering of thin block copolymer (BCP) films via direct immersion annealing (DIA) at enhanced rate leading to stable morphologies. The BCP films are immersed in carefully selected mixtures of good and marginal solvents that can impart enhanced polymer mobility, while inhibiting film dissolution. DIA is compatible with roll-to-roll assembly manufacturing and has distinct advantages over conventional thermal annealing and batch processing solvent-vapor annealing methods. We identify three solvent composition-dependent BCP film ordering regimes in DIA for the weakly interacting polystyrene -poly(methyl methacrylate) (PS -PMMA) system: rapid short range order, optimal long-range order, and a film instability regime. Kinetic studies in the ``optimal long-range order'' processing regime as a function of temperature indicate a significant reduction of activation energy for BCP grain growth compared to oven annealing at conventional temperatures. An attractive feature of DIA is its robustness to ordering other BCP (e.g. PS-P2VP) and PS-PMMA systems exhibiting spherical, lamellar and cylindrical ordering. Inclusion of nanoparticles in these films at high concentrations and fast ordering kinetics study with neutron reflectivity and SANS will be discussed. This is (late) Contributed Talk Abstract for Dillon Medal Symposium at DPOLY - discussed with DPOLY Chair Dvora Perahia.

Range and Energy Straggling in Ion Beam Transport

NASA Technical Reports Server (NTRS)

Wilson, John W.; Tai, Hsiang

2000-01-01

A first-order approximation to the range and energy straggling of ion beams is given as a normal distribution for which the standard deviation is estimated from the fluctuations in energy loss events. The standard deviation is calculated by assuming scattering from free electrons with a long range cutoff parameter that depends on the mean excitation energy of the medium. The present formalism is derived by extrapolating Payne's formalism to low energy by systematic energy scaling and to greater depths of penetration by a second-order perturbation. Limited comparisons are made with experimental data.

Blue large-amplitude pulsators as a new class of variable stars

NASA Astrophysics Data System (ADS)

Pietrukowicz, Paweł; Dziembowski, Wojciech A.; Latour, Marilyn; Angeloni, Rodolfo; Poleski, Radosław; di Mille, Francesco; Soszyński, Igor; Udalski, Andrzej; Szymański, Michał K.; Wyrzykowski, Łukasz; Kozłowski, Szymon; Skowron, Jan; Skowron, Dorota; Mróz, Przemek; Pawlak, Michał; Ulaczyk, Krzysztof

2017-08-01

Regular intrinsic brightness variations observed in many stars are caused by pulsations. These pulsations provide information on the global and structural parameters of the star. The pulsation periods range from seconds to years, depending on the compactness of the star and properties of the matter that forms its outer layers. Here, we report the discovery of more than a dozen previously unknown short-period variable stars: blue large-amplitude pulsators. These objects show very regular brightness variations with periods in the range of 20-40 min and amplitudes of 0.2-0.4 mag in the optical passbands. The phased light curves have a characteristic sawtooth shape, similar to the shape of classical Cepheids and RR Lyrae-type stars pulsating in the fundamental mode. The objects are significantly bluer than main-sequence stars observed in the same fields, which indicates that all of them are hot stars. Follow-up spectroscopy confirms a high surface temperature of about 30,000 K. Temperature and colour changes over the cycle prove the pulsational nature of the variables. However, large-amplitude pulsations at such short periods are not observed in any known type of stars, including hot objects. Long-term photometric observations show that the variable stars are very stable over time. Derived rates of period change are of the order of 10-7 per year and, in most cases, they are positive. According to pulsation theory, such large-amplitude oscillations may occur in evolved low-mass stars that have inflated helium-enriched envelopes. The evolutionary path that could lead to such stellar configurations remains unknown.

Developing Item Response Theory-Based Short Forms to Measure the Social Impact of Burn Injuries.

PubMed

Marino, Molly E; Dore, Emily C; Ni, Pengsheng; Ryan, Colleen M; Schneider, Jeffrey C; Acton, Amy; Jette, Alan M; Kazis, Lewis E

2018-03-01

To develop self-reported short forms for the Life Impact Burn Recovery Evaluation (LIBRE) Profile. Short forms based on the item parameters of discrimination and average difficulty. A support network for burn survivors, peer support networks, social media, and mailings. Burn survivors (N=601) older than 18 years. Not applicable. The LIBRE Profile. Ten-item short forms were developed to cover the 6 LIBRE Profile scales: Relationships with Family & Friends, Social Interactions, Social Activities, Work & Employment, Romantic Relationships, and Sexual Relationships. Ceiling effects were ≤15% for all scales; floor effects were <1% for all scales. The marginal reliability of the short forms ranged from .85 to .89. The LIBRE Profile-Short Forms demonstrated credible psychometric properties. The short form version provides a viable alternative to administering the LIBRE Profile when resources do not allow computer or Internet access. The full item bank, computerized adaptive test, and short forms are all scored along the same metric, and therefore scores are comparable regardless of the mode of administration. Copyright © 2017 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.

New Leading Contribution to Neutrinoless Double-β Decay

NASA Astrophysics Data System (ADS)

Cirigliano, Vincenzo; Dekens, Wouter; de Vries, Jordy; Graesser, Michael L.; Mereghetti, Emanuele; Pastore, Saori; van Kolck, Ubirajara

2018-05-01

Within the framework of chiral effective field theory, we discuss the leading contributions to the neutrinoless double-beta decay transition operator induced by light Majorana neutrinos. Based on renormalization arguments in both dimensional regularization with minimal subtraction and a coordinate-space cutoff scheme, we show the need to introduce a leading-order short-range operator, missing in all current calculations. We discuss strategies to determine the finite part of the short-range coupling by matching to lattice QCD or by relating it via chiral symmetry to isospin-breaking observables in the two-nucleon sector. Finally, we speculate on the impact of this new contribution on nuclear matrix elements of relevance to experiment.

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%.

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.

PubMed

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.

Bayesian estimation of realized stochastic volatility model by Hybrid Monte Carlo algorithm

NASA Astrophysics Data System (ADS)

Takaishi, Tetsuya

2014-03-01

The hybrid Monte Carlo algorithm (HMCA) is applied for Bayesian parameter estimation of the realized stochastic volatility (RSV) model. Using the 2nd order minimum norm integrator (2MNI) for the molecular dynamics (MD) simulation in the HMCA, we find that the 2MNI is more efficient than the conventional leapfrog integrator. We also find that the autocorrelation time of the volatility variables sampled by the HMCA is very short. Thus it is concluded that the HMCA with the 2MNI is an efficient algorithm for parameter estimations of the RSV model.

Nonequilibrium critical dynamics of the two-dimensional Ashkin-Teller model at the Baxter line

NASA Astrophysics Data System (ADS)

Fernandes, H. A.; da Silva, R.; Caparica, A. A.; de Felício, J. R. Drugowich

2017-04-01

We investigate the short-time universal behavior of the two-dimensional Ashkin-Teller model at the Baxter line by performing time-dependent Monte Carlo simulations. First, as preparatory results, we obtain the critical parameters by searching the optimal power-law decay of the magnetization. Thus, the dynamic critical exponents θm and θp, related to the magnetic and electric order parameters, as well as the persistence exponent θg, are estimated using heat-bath Monte Carlo simulations. In addition, we estimate the dynamic exponent z and the static critical exponents β and ν for both order parameters. We propose a refined method to estimate the static exponents that considers two different averages: one that combines an internal average using several seeds with another, which is taken over temporal variations in the power laws. Moreover, we also performed the bootstrapping method for a complementary analysis. Our results show that the ratio β /ν exhibits universal behavior along the critical line corroborating the conjecture for both magnetization and polarization.

Polyakov loop modeling for hot QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fukushima, Kenji; Skokov, Vladimir

Here, we review theoretical aspects of quantum chromodynamics (QCD) at finite temperature. The most important physical variable to characterize hot QCD is the Polyakov loop, which is an approximate order parameter for quark deconfinement in a hot gluonic medium. Additionally to its role as an order parameter, the Polyakov loop has rich physical contents in both perturbative and non-perturbative sectors. This review covers a wide range of subjects associated with the Polyakov loop from topological defects in hot QCD to model building with coupling to the Polyakov loop.

Polyakov loop modeling for hot QCD

DOE PAGES

Fukushima, Kenji; Skokov, Vladimir

2017-06-19

Here, we review theoretical aspects of quantum chromodynamics (QCD) at finite temperature. The most important physical variable to characterize hot QCD is the Polyakov loop, which is an approximate order parameter for quark deconfinement in a hot gluonic medium. Additionally to its role as an order parameter, the Polyakov loop has rich physical contents in both perturbative and non-perturbative sectors. This review covers a wide range of subjects associated with the Polyakov loop from topological defects in hot QCD to model building with coupling to the Polyakov loop.

X-ray microtomography study of the compaction process of rods under tapping.

PubMed

Fu, Yang; Xi, Yan; Cao, Yixin; Wang, Yujie

2012-05-01

We present an x-ray microtomography study of the compaction process of cylindrical rods under tapping. The process is monitored by measuring the evolution of the orientational order parameter, local, and overall packing densities as a function of the tapping number for different tapping intensities. The slow relaxation dynamics of the orientational order parameter can be well fitted with a stretched-exponential law with stretching exponents ranging from 0.9 to 1.6. The corresponding relaxation time versus tapping intensity follows an Arrhenius behavior which is reminiscent of the slow dynamics in thermal glassy systems. We also investigated the boundary effect on the ordering process and found that boundary rods order faster than interior ones. In searching for the underlying mechanism of the slow dynamics, we estimated the initial random velocities of the rods under tapping and found that the ordering process is compatible with a diffusion mechanism. The average coordination number as a function of the tapping number at different tapping intensities has also been measured, which spans a range from 6 to 8.

Predictive beyond-mean-field rate equations for multisite lattice–gas models of catalytic surface reactions: CO oxidation on Pd(100)

DOE PAGES

Liu, Da -Jiang; Zahariev, Federico; Gordon, Mark S.; ...

2016-11-29

Tailored multisite lattice–gas (msLG) models are developed for CO oxidation on Pd(100) at low-pressures. These models include multiple adsorption site types and superlattice adlayer ordering due to short-range exclusion for highly mobile reactant adspecies. However, they are simplified to neglect longer-range weaker adspecies interactions, so that the key energetic parameters are the CO desorption barrier and the reaction barrier. We discuss existing density functional theory results for these energies and present additional analysis for CO adsorption. After also including an appropriate nontrivial specification of the dynamics of adsorption onto mixed reactant adlayers, we develop rate equations for the reaction kinetics.more » Our formulation goes beyond traditional mean-field (MF) Langmuirian treatments by accounting for multiple adsorption sites and for the strong spatial correlations associated with superlattice ordering. Specifically, we utilize factorization approximations based on appropriate site motifs, and also Padé resummation of exact low-coverage expansions for sticking coefficients. Our beyond-MF rate equations are successful in accurately predicting key aspects of reactive steady-state behavior, and thus expand the utility of rate equation formulations in surface chemistry. This is confirmed by comparison with precise kinetic Monte Carlo simulation results. Furthermore, we not only assess bistability and criticality observed for CO oxidation but also find more complex multistability associated with symmetry-breaking transitions in high-coverage CO adlayers.« less

Periodic and rational solutions of the reduced Maxwell-Bloch equations

NASA Astrophysics Data System (ADS)

Wei, Jiao; Wang, Xin; Geng, Xianguo

2018-06-01

We investigate the reduced Maxwell-Bloch (RMB) equations which describe the propagation of short optical pulses in dielectric materials with resonant non-degenerate transitions. The general Nth-order periodic solutions are provided by means of the Darboux transformation. The Nth-order degenerate periodic and Nth-order rational solutions containing several free parameters with compact determinant representations are derived from two different limiting cases of the obtained general periodic solutions, respectively. Explicit expressions of these solutions from first to second order are presented. Typical nonlinear wave patterns for the four components of the RMB equations such as single-peak, double-peak-double-dip, double-peak and single-dip structures in the second-order rational solutions are shown. This kind of the rational solutions correspond to rogue waves in the reduced Maxwell-Bloch equations.

Accuracy of gravitational physics tests using ranges to the inner planets

NASA Technical Reports Server (NTRS)

Ashby, N.; Bender, P.

1981-01-01

A number of different types of deviations from Kepler's laws for planetary orbits can occur in nonNewtonian metric gravitational theories. These include secular changes in all of the orbital elements and in the mean motion, plus additional periodic perturbations in the coordinates. The first order corrections to the Keplerian motion of a single planet around the Sun due to the parameterized post Newtonian theory parameters were calculated as well as the corrections due to the solar quadrupole moment and a possible secular change in the gravitational constant. The results were applied to the case of proposed high accuracy ranging experiments from the Earth to a Mercury orbiting spacecraft in order to see how well the various parameters can be determined.

Local-structure change rendered by electronic localization-delocalization transition in cerium-based metallic glasses

NASA Astrophysics Data System (ADS)

Luo, Qiang; Schwarz, Björn; Swarbrick, Janine C.; Bednarčik, Jozef; Zhu, Yingcai; Tang, Meibo; Zheng, Lirong; Li, Ran; Shen, Jun; Eckert, Jürgen

2018-02-01

With increasing temperature, metallic glasses (MGs) undergo first glass transition without pronounced structural change and then crystallization with distinct variation in structure and properties. The present study shows a structural change of short-range order induced by an electron-delocalization transition, along with an unusual large-volume shrinkage in Ce-based MGs. An f -electron localization-delocalization transition with thermal hysteresis is observed from the temperature dependence of x-ray absorption spectroscopy and resonant inelastic x-ray scattering spectra, indicating an inheritance of the 4 f configuration of pure Ce. However, the delocalization transition becomes broadened due to the local structural heterogeneity and related fluctuation of 4 f levels in the Ce-based MGs. The amorphous structure regulated 4 f delocalization of Ce leads to bond shortening and abnormal structure change of the topological and chemical short-range orders. Due to the hierarchical bonding nature, the structure should change in a similar manner on different length scales (but not isostructurally like the Ce metal) in Ce-based MGs.

Short-range magentic correlations and dynamic orbital ordering in the thermally activated spin state of LaCoO3

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

Relationship between Magnetic Anisotropy below Pseudogap Temperature and Short-Range Antiferromagnetic Order in High-Temperature Cuprate Superconductor

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., Nat. Phys. 13, 1074 (2017)]. Applying the spin Green's function formalism including the Dzyaloshinskii-Moriya interaction arising from the buckling of the CuO2 plane, we obtain results that are in good agreement with the experiment and find a scaling relationship. Our analysis suggests that the characteristic temperature associated with the magnetic anisotropy, which coincides with T*, is not a phase transition temperature but a crossover temperature associated with the short-range antiferromagnetic order.

Moment magnitude, local magnitude and corner frequency of small earthquakes nucleating along a low angle normal fault in the Upper Tiber valley (Italy)

NASA Astrophysics Data System (ADS)

Munafo, I.; Malagnini, L.; Chiaraluce, L.; Valoroso, L.

2015-12-01

The relation between moment magnitude (MW) and local magnitude (ML) is still a debated issue (Bath, 1966, 1981; Ristau et al., 2003, 2005). Theoretical considerations and empirical observations show that, in the magnitude range between 3 and 5, MW and ML scale 1∶1. Whilst for smaller magnitudes this 1∶1 scaling breaks down (Bethmann et al. 2011). For accomplishing this task we analyzed the source parameters of about 1500 (30.000 waveforms) well-located small earthquakes occurred in the Upper Tiber Valley (Northern Apennines) in the range of -1.5≤ML≤3.8. In between these earthquakes there are 300 events repeatedly rupturing the same fault patch generally twice within a short time interval (less than 24 hours; Chiaraluce et al., 2007). We use high-resolution short period and broadband recordings acquired between 2010 and 2014 by 50 permanent seismic stations deployed to monitor the activity of a regional low angle normal fault (named Alto Tiberina fault, ATF) in the framework of The Alto Tiberina Near Fault Observatory project (TABOO; Chiaraluce et al., 2014). For this study the direct determination of MW for small earthquakes is essential but unfortunately the computation of MW for small earthquakes (MW < 3) is not a routine procedure in seismology. We apply the contributions of source, site, and crustal attenuation computed for this area in order to obtain precise spectral corrections to be used in the calculation of small earthquakes spectral plateaus. The aim of this analysis is to achieve moment magnitudes of small events through a procedure that uses our previously calibrated crustal attenuation parameters (geometrical spreading g(r), quality factor Q(f), and the residual parameter k) to correct for path effects. We determine the MW-ML relationships in two selected fault zones (on-fault and fault-hanging-wall) of the ATF by an orthogonal regression analysis providing a semi-automatic and robust procedure for moment magnitude determination within a region characterized by small to moderate seismicity. Finally, we present for a subset of data, corner frequency values computed by spectral analysis of S-waves, using data from three nearby shallow borehole stations sampled at 500 sps.

Evolution of magnetism in LnCuGa3 (Ln = La-Nd, Sm-Gd) studied via μSR and specific heat

NASA Astrophysics Data System (ADS)

Graf, M. J.; Hettinger, J. D.; Nemeth, K.; Dally, R.; Baines, C.; Subbarao, U.; Peter, S. C.

2017-12-01

Muon spin rotation/relaxation (μSR) and specific heat measurements are presented for polycrystalline LnCuGa3, with Ln = La-Nd, and Sm-Gd. All materials undergo magnetic ordering transitions, apart from non-magnetic LaCuGa3, and PrCuGa3, which shows the onset of short range correlations below 3 K but no long-range magnetic order down to T = 25 mK. While magnetic order in the Ce and Nd compounds is incommensurate with the lattice, the order is commensurate for the Sm and Eu compounds. The strong damping in GdCuGa3 prevents us from determining the nature of magnetism in that system. SmCuGa3 exhibits two precessional frequencies, which appear at different temperatures, suggesting inhomogeneous magnetic ordering or a second magnetic/structural phase transition.

Mechanical and Thermal Properties of Praseodymium Monopnictides: AN Ultrasonic Study

NASA Astrophysics Data System (ADS)

Bhalla, Vyoma; Kumar, Raj; Tripathy, Chinmayee; Singh, Devraj

2013-09-01

We have computed ultrasonic attenuation, acoustic coupling constants and ultrasonic velocities of praseodymium monopnictides PrX(X: N, P, As, Sb and Bi) along the <100>, <110>, <111> in the temperature range 100-500 K using higher order elastic constants. The higher order elastic constants are evaluated using Coulomb and Born-Mayer potential with two basic parameters viz. nearest-neighbor distance and hardness parameter in the temperature range of 0-500 K. Several other mechanical and thermal parameters like bulk modulus, shear modulus, Young's modulus, Poisson ratio, anisotropic ratio, tetragonal moduli, Breazeale's nonlinearity parameter and Debye temperature are also calculated. In the present study, the fracture/toughness (B/G) ratio is less than 1.75 which implies that PrX compounds are brittle in nature at room temperature. The chosen material fulfilled Born criterion of mechanical stability. We also found the deviation of Cauchy's relation at higher temperatures. PrN is most stable material as it has highest valued higher order elastic constants as well as the ultrasonic velocity. Further, the lattice thermal conductivity using modified approach of Slack and Berman is determined at room temperature. The ultrasonic attenuation due to phonon-phonon interaction and thermoelastic relaxation mechanisms have been computed using modified Mason's approach. The results with other well-known physical properties are useful for industrial applications.

Resistive wall wakefields of short bunches at cryogenic temperatures

DOE PAGES

Stupakov, G.; Bane, K. L. F.; Emma, P.; ...

2015-03-19

In this study, we present calculations of the longitudinal wakefields at cryogenic temperatures for extremely short bunches, characteristic for modern x-ray free electron lasers. The calculations are based on the equations for the surface impedance in the regime of the anomalous skin effect in metals. This paper extends and complements an earlier analysis of B. Podobedov, Phys. Rev. ST Accel. Beams 12, 044401 (2009). into the region of very high frequencies associated with bunch lengths in the micron range. We study in detail the case of a rectangular bunch distribution for parameters of interest of LCLS-II with a superconducting undulator.

Atomistic simulations of ultra-short pulse laser ablation of aluminum: validity of the Lambert-Beer law

NASA Astrophysics Data System (ADS)

Eisfeld, Eugen; Roth, Johannes

2018-05-01

Based on hybrid molecular dynamics/two-temperature simulations, we study the validity of the application of Lambert-Beer's law, which is conveniently used in various modeling approaches of ultra-short pulse laser ablation of metals. The method is compared to a more rigorous treatment, which involves solving the Helmholtz wave equation for different pulse durations ranging from 100 fs to 5 ps and a wavelength of 800 nm. Our simulations show a growing agreement with increasing pulse durations, and we provide appropriate optical parameters for all investigated pulse durations.

Enhanced detection of terrestrial gamma-ray flashes by AGILE.

PubMed

Marisaldi, M; Argan, A; Ursi, A; Gjesteland, T; Fuschino, F; Labanti, C; Galli, M; Tavani, M; Pittori, C; Verrecchia, F; D'Amico, F; Østgaard, N; Mereghetti, S; Campana, R; Cattaneo, P W; Bulgarelli, A; Colafrancesco, S; Dietrich, S; Longo, F; Gianotti, F; Giommi, P; Rappoldi, A; Trifoglio, M; Trois, A

2015-11-16

At the end of March 2015 the onboard software configuration of the Astrorivelatore Gamma a Immagini Leggero (AGILE) satellite was modified in order to disable the veto signal of the anticoincidence shield for the minicalorimeter instrument. The motivation for such a change was the understanding that the dead time induced by the anticoincidence prevented the detection of a large fraction of Terrestrial Gamma-Ray Flashes (TGFs). The configuration change was highly successful resulting in an increase of one order of magnitude in TGF detection rate. As expected, the largest fraction of the new events has short duration (<100 μs), and part of them has simultaneous association with lightning sferics detected by the World Wide Lightning Location Network. The new configuration provides the largest TGF detection rate surface density (TGFs/km 2 /yr) to date, opening prospects for improved correlation studies with lightning and atmospheric parameters on short spatial and temporal scales along the equatorial region.

Phenomenological Study of Interaction between Solar Acoustic Waves and Sunspots from Measured Scattered Wavefunctions

NASA Astrophysics Data System (ADS)

Yang, Ming-Hsu; Chou, Dean-Yi; Zhao, Hui; Liang, Zhi-Chao

2012-08-01

The solar acoustic waves around a sunspot are modified because of the interaction with the sunspot. The interaction can be viewed as that the sunspot, excited by the incident wave, generates the scattered wave, and the scattered wave is added to the incident wave to form the total wave around the sunspot. We define an interaction parameter, which could be complex, describing the interaction between the acoustic waves and the sunspot. The scattered wavefunction on the surface can be expressed as a two-dimensional integral of the product of the Green's function, the wavefunction, and the two-dimensional interaction parameter over the sunspot area for the Born approximation of different orders. We assume a simple model for the two-dimensional interaction parameter distribution: its absolute value is axisymmetric with a Gaussian distribution and its phase is a constant. The measured scattered wavefunctions of various modes for NOAAs 11084 and 11092 are fitted to the theoretical scattered wavefunctions to determine the three model parameters, magnitude, Gaussian radius, and phase, for the Born approximation of different orders. The three model parameters converge to some values at high-order Born approximations. The result of the first-order Born approximation is significantly different from the convergent value in some cases. The rate of convergence depends on the sunspot size and wavelength. It converges more rapidly for the smaller sunspot and longer wavelength. The magnitude increases with mode frequency and degree for each radial order. The Gaussian radius is insensitive to frequency and degree. The spatial range of the interaction parameter is greater than that of the continuum intensity deficit, but smaller than that of the acoustic power deficit of the sunspot. The phase versus phase speed falls into a small range. This suggests that the phase could be a function phase speed. NOAAs 11084 and 11092 have a similar magnitude and phase, although the ratio of their sizes is 0.75.

The retention and disruption of color information in human short-term visual memory.

PubMed

Nemes, Vanda A; Parry, Neil R A; Whitaker, David; McKeefry, Declan J

2012-01-27

Previous studies have demonstrated that the retention of information in short-term visual perceptual memory can be disrupted by the presentation of masking stimuli during interstimulus intervals (ISIs) in delayed discrimination tasks (S. Magnussen & W. W. Greenlee, 1999). We have exploited this effect in order to determine to what extent short-term perceptual memory is selective for stimulus color. We employed a delayed hue discrimination paradigm to measure the fidelity with which color information was retained in short-term memory. The task required 5 color normal observers to discriminate between spatially non-overlapping colored reference and test stimuli that were temporally separated by an ISI of 5 s. The points of subjective equality (PSEs) on the resultant psychometric matching functions provided an index of performance. Measurements were made in the presence and absence of mask stimuli presented during the ISI, which varied in hue around the equiluminant plane in DKL color space. For all reference stimuli, we found a consistent mask-induced, hue-dependent shift in PSE compared to the "no mask" conditions. These shifts were found to be tuned in color space, only occurring for a range of mask hues that fell within bandwidths of 29-37 deg. Outside this range, masking stimuli had little or no effect on measured PSEs. The results demonstrate that memory masking for color exhibits selectivity similar to that which has already been demonstrated for other visual attributes. The relatively narrow tuning of these interference effects suggests that short-term perceptual memory for color is based on higher order, non-linear color coding. © ARVO

Convergent and divergent two-dimensional coordination networks formed through substrate-activated or quenched alkynyl ligation.

PubMed

Čechal, Jan; Kley, Christopher S; Kumagai, Takashi; Schramm, Frank; Ruben, Mario; Stepanow, Sebastian; Kern, Klaus

2014-09-07

Metal coordination assemblies of the symmetric bi-functional 4,4'-di-(1,4-buta-1,3-diynyl)-benzoic acid are investigated by scanning tunnelling microscopy on metal surfaces. The formation of long-range ordered, short-range disordered and random phases depends on the competition between the convergent and divergent coordination motifs of the individual functional groups and is crucially influenced by the substrate.

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).

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

PubMed Central

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

2016-01-01

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

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.

Toward a better understanding of helicopter stability derivatives

NASA Technical Reports Server (NTRS)

Hansen, R. S.

1982-01-01

An amended six degree of freedom helicopter stability and control derivative model was developed in which body acceleration and control rate derivatives were included in the Taylor series expansion. These additional derivatives were derived from consideration of the effects of the higher order rotor flapping dynamics, which are known to be inadequately represented in the conventional six degree of freedom, quasistatic stability derivative model. The amended model was a substantial improvement over the conventional model, effectively doubling the unsable bandwidth and providing a more accurate representation of the short period and cross axis characteristics. Further investigations assessed the applicability of the two stability derivative model structures for flight test parameter identification. Parameters were identified using simulation data generated from a higher order base line model having sixth order rotor tip path plane dynamics. Three lower order models were identified: one using the conventional stability derivative model structure, a second using the amended six degree of freedom model structure, and a third model having eight degrees of freedom that included a simplified rotor tip path plane tilt representation.

Application de la methode de la reponse frequentielle a l'arret "SSFR", sur une machine synchrone a poles saillants de grande puissance

NASA Astrophysics Data System (ADS)

Belqorchi, Abdelghafour

Forty years after Watson and Manchur conducted the Stand-Still Frequency Response (SSFR) test on a large turbogenerator, the applicability of this technic on a powerful salient pole synchronous generator has yet to be confirmed. The scientific literature on the subject is rare and very few have attempted to compare SSFR parameter results with those deduced by classical tests. The validity of SSFR on large salient pole machines has still to be proven. The present work aims in participating to fill this knowledge gap. It can be used to build a database of measurements highly needed to draw the validity of the technic. Also, the author hopes to demonstrate the potential of SSFR model to represent the machine, not only in cases of weak disturbances but also strong ones such as instantaneous three-phase short-circuit faults. The difficulties raised by previous searchers are: The lack of accuracy in very low frequency measurements; The difficulty in rotor positioning, according to d and q axes, in case of salient pole machines; The measurement current level influence on magnetizing inductances, in axes-d and; The rotation impact on damper circuits for some rotors design. Aware of the above difficulties, the author conducted an SSFR test on a large salient pole machine (285 MVA). The generator under test has laminated non isolated rotor and an integral slot number. The damper windings in adjacent poles are connected together, via the polar core and the rotor rim. Finally, the damping circuit is unaffected by rotation. To improve the measurement accuracy, in very low frequencies, the most precise frequency response analyser available on the market was used. Besides, the frequency responses of the signals conditioning modules (i.e., isolation, amplification...) were accounted for to correct the four measured SSFR transfer functions. Immunization against noise and use of instrumentation in their optimum range, were other technics rigorously applied. Magnetizing inductances, being influenced by the measurement current magnitude, the latter was maintained constant in the range 1mHz-20Hz. Other problems such as the rotation impact on damper circuits or the difficulty of rotor positioning are eliminated or attenuated by the intrinsic characteristics of the machine. Regarding the data analysis, the Maximum Likelihood Estimation (MLE) method was used to determine the third and second order equivalent circuit from SSFR measurements. In d-axis, the approaches of adjustment to two and three transfer functions (Ld(s), sG(s) and Lafo(s)) were explored. The second order model, derived from (Ld( s) and G(s)), was used to deduce the machine standard parameters. The latter were compared with the values given by the manufacturer and by conventional on-site tests: Instantaneous three-phase short-circuit, Dalton-Cameron and the d-axis transient time constant at open stator (T'do). The comparison showed the good accuracy of SSFR values. Subsequently, a machine model was built in EMTP-RV based on SSFR standard parameters. The model was able to reproduce stator and rotor currents measured during instantaneous three-phase short-circuit test. Some adjustments, to SSFR parameters, were needed to reproduce stator voltage and rotor current acquired during load rejection d-axis test. It is worthwhile noting that the load rejection d-axis test, recently added to IEEE 115-2009 annex, must be modified to take into account the saturation and excitation impedance impact on deduced parameters. Regarding this issue, some suggestions are proposed by the author. The obtained SSFR results, contribute to raise confidence on SSFR application on large salient pole machines. In addition, it shows the aptitude of the SSFR model to represent the machine in both cases of weak and strong disturbances, at least on machines similar the one studied. Index Terms: Salient pole, frequency response, SSFR, equivalent circuit, operational inductance.

Hepatocellular carcinoma: short-term reproducibility of apparent diffusion coefficient and intravoxel incoherent motion parameters at 3.0T.

PubMed

Kakite, Suguru; Dyvorne, Hadrien; Besa, Cecilia; Cooper, Nancy; Facciuto, Marcelo; Donnerhack, Claudia; Taouli, Bachir

2015-01-01

To evaluate short-term test-retest and interobserver reproducibility of IVIM (intravoxel incoherent motion) diffusion parameters and ADC (apparent diffusion coefficient) of hepatocellular carcinoma (HCC) and liver parenchyma at 3.0T. In this prospective Institutional Review Board (IRB)-approved study, 11 patients were scanned twice using a free-breathing single-shot echo-planar-imaging, diffusion-weighted imaging (DWI) sequence using 4 b values (b = 0, 50, 500, 1000 s/mm(2)) and IVIM DWI using 16 b values (0-800 s/mm(2)) at 3.0T. IVIM parameters (D: true diffusion coefficient, D*: pseudodiffusion coefficient, PF: perfusion fraction) and ADC (using 4 b and 16 b) were calculated. Short-term test-retest and interobserver reproducibility of IVIM parameters and ADC were assessed by measuring correlation coefficient, coefficient of variation (CV), and Bland-Altman limits of agreements (BA-LA). Fifteen HCCs were assessed in 10 patients. Reproducibility of IVIM metrics in HCC was poor for D* and PF (mean CV 60.6% and 37.3%, BA-LA: -161.6% to 135.3% and -66.2% to 101.0%, for D* and PF, respectively), good for D and ADC (CV 19.7% and <16%, BA-LA -57.4% to 36.3% and -38.2 to 34.1%, for D and ADC, respectively). Interobserver reproducibility was on the same order of test-retest reproducibility except for PF in HCC. Reproducibility of diffusion parameters was better in liver parenchyma compared to HCC. Poor reproducibility of D*/PF and good reproducibility for D/ADC were observed in HCC and liver parenchyma. These findings may have implications for trials using DWI in HCC. © 2014 Wiley Periodicals, Inc.

Combining in silico evolution and nonlinear dimensionality reduction to redesign responses of signaling networks

NASA Astrophysics Data System (ADS)

Prescott, Aaron M.; Abel, Steven M.

2016-12-01

The rational design of network behavior is a central goal of synthetic biology. Here, we combine in silico evolution with nonlinear dimensionality reduction to redesign the responses of fixed-topology signaling networks and to characterize sets of kinetic parameters that underlie various input-output relations. We first consider the earliest part of the T cell receptor (TCR) signaling network and demonstrate that it can produce a variety of input-output relations (quantified as the level of TCR phosphorylation as a function of the characteristic TCR binding time). We utilize an evolutionary algorithm (EA) to identify sets of kinetic parameters that give rise to: (i) sigmoidal responses with the activation threshold varied over 6 orders of magnitude, (ii) a graded response, and (iii) an inverted response in which short TCR binding times lead to activation. We also consider a network with both positive and negative feedback and use the EA to evolve oscillatory responses with different periods in response to a change in input. For each targeted input-output relation, we conduct many independent runs of the EA and use nonlinear dimensionality reduction to embed the resulting data for each network in two dimensions. We then partition the results into groups and characterize constraints placed on the parameters by the different targeted response curves. Our approach provides a way (i) to guide the design of kinetic parameters of fixed-topology networks to generate novel input-output relations and (ii) to constrain ranges of biological parameters using experimental data. In the cases considered, the network topologies exhibit significant flexibility in generating alternative responses, with distinct patterns of kinetic rates emerging for different targeted responses.

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

PubMed

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.

The characterisation of atomic structure and glass-forming ability of the Zr-Cu-Co metallic glasses studied by molecular dynamics simulations

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.

Bioconvection in spatially extended domains

NASA Astrophysics Data System (ADS)

Karimi, A.; Paul, M. R.

2013-05-01

We numerically explore gyrotactic bioconvection in large spatially extended domains of finite depth using parameter values from available experiments with the unicellular alga Chlamydomonas nivalis. We numerically integrate the three-dimensional, time-dependent continuum model of Pedley [J. Fluid Mech.10.1017/S0022112088002393 195, 223 (1988)] using a high-order, parallel, spectral-element approach. We explore the long-time nonlinear patterns and dynamics found for layers with an aspect ratio of 10 over a range of Rayleigh numbers. Our results yield the pattern wavelength and pattern dynamics which we compare with available theory and experimental measurement. There is good agreement for the pattern wavelength at short times between numerics, experiment, and a linear stability analysis. At long times we find that the general sequence of patterns given by the nonlinear evolution of the governing equations correspond qualitatively to what has been described experimentally. However, at long times the patterns in numerics grow to larger wavelengths, in contrast to what is observed in experiment where the wavelength is found to decrease with time.

Statistical Short-Range Guidance for Peak Wind Speed Forecasts at Edwards Air Force Base, CA

NASA Technical Reports Server (NTRS)

Dreher, Joseph G.; Crawford, Winifred; Lafosse, Richard; Hoeth, Brian; Burns, Kerry

2009-01-01

The peak winds near the surface are an important forecast element for space shuttle landings. As defined in the Flight Rules (FR), there are peak wind thresholds that cannot be exceeded in order to ensure the safety of the shuttle during landing operations. The National Weather Service Spaceflight Meteorology Group (SMG) is responsible for weather forecasts for all shuttle landings, and is required to issue surface average and 10-minute peak wind speed forecasts. They indicate peak winds are a challenging parameter to forecast. To alleviate the difficulty in making such wind forecasts, the Applied Meteorology Unit (AMU) developed a PC-based graphical user interface (GUI) for displaying peak wind climatology and probabilities of exceeding peak wind thresholds for the Shuttle Landing Facility (SLF) at Kennedy Space Center (KSC; Lambert 2003). However, the shuttle occasionally may land at Edwards Air Force Base (EAFB) in southern California when weather conditions at KSC in Florida are not acceptable, so SMG forecasters requested a similar tool be developed for EAFB.

Structural, morphological, dielectric and impedance spectroscopy of lead-free Bi(Zn2/3Ta1/3)O3 electronic material

NASA Astrophysics Data System (ADS)

Halder, S.; Bhuyan, S.; Das, S. N.; Sahoo, S.; Choudhary, R. N. P.; Das, P.; Parida, K.

2017-12-01

A lead-free dielectric material [Bi(Zn2/3Ta1/3)O3] has been prepared using a solid state reaction technique at high-temperature. The resistive, conducting and capacitive characteristics of the prepared electronic material have been studied in different experimental conditions. The determination of basic crystal parameters and reflection indices confirm the development of polycrystalline compound with orthorhombic crystal structure. The study of frequency-temperature dependence of ac conductivity illustrates the nature and conduction mechanism of the material. On the basis of observed impedance data and detailed dielectric analysis, the existence of non-Debye type relaxation has been affirmed. The electronic charge carriers of compound have short range order that has been validated from the complex modulus and impedance spectrum. The detailed studies of resistive, capacitive, microstructural characteristics of the prepared material provide some useful data for considering the material as an electronic component for fabrication of devices.

A statistical approach to the brittle fracture of a multi-phase solid

NASA Technical Reports Server (NTRS)

Liu, W. K.; Lua, Y. I.; Belytschko, T.

1991-01-01

A stochastic damage model is proposed to quantify the inherent statistical distribution of the fracture toughness of a brittle, multi-phase solid. The model, based on the macrocrack-microcrack interaction, incorporates uncertainties in locations and orientations of microcracks. Due to the high concentration of microcracks near the macro-tip, a higher order analysis based on traction boundary integral equations is formulated first for an arbitrary array of cracks. The effects of uncertainties in locations and orientations of microcracks at a macro-tip are analyzed quantitatively by using the boundary integral equations method in conjunction with the computer simulation of the random microcrack array. The short range interactions resulting from surrounding microcracks closet to the main crack tip are investigated. The effects of microcrack density parameter are also explored in the present study. The validity of the present model is demonstrated by comparing its statistical output with the Neville distribution function, which gives correct fits to sets of experimental data from multi-phase solids.

Near-zero temperature coefficient of resistivity associated with magnetic ordering in antiperovskite Mn{sub 3+x}Ni{sub 1−x}N

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deng, Sihao; Sun, Ying; Wang, Lei

2016-01-25

The near-zero temperature coefficient of resistivity (NZ-TCR) behavior is reported in the antiperovskite compounds Mn{sub 3+x}Ni{sub 1−x}N (0 ≤ x ≤ 0.333). Our results indicate that the broad temperature range (above 275 K extending to above 220 K) of NZ-TCR is obtained by Mn doping at the Ni site. The short-range magnetic ordering is revealed by both neutron powder diffraction and inverse magnetic susceptibility. Further, we find a strong correlation between the anomalous resistivity change of Mn{sub 3+x}Ni{sub 1−x}N from the metal-like to the NZ-TCR behavior and the lack of the long-range magnetic ordering. The possible mechanism of NZ-TCR behavior is discussed using the spin-disorder scatteringmore » model.« less

Magnetic and thermal property studies of RCrTeO6 (R=trivalent lanthanides) with layered honeycomb sublattices

NASA Astrophysics Data System (ADS)

Narsinga Rao, G.; Sankar, R.; Panneer Muthuselvam, I.; Chou, F. C.

2014-12-01

We have investigated the magnetic ordering of the RCrTeO6 (R=Y, La, Tb and Er) samples comprising Cr3+ (S=3/2). The X-ray diffraction structure analysis revealed that all samples are a hexagonal structure with the space group P 3bar. The magnetic susceptibility χ(T) and heat capacity CP(T) measurement results reveal that both short range and long range antiferromagnetic (AFM) orderings exist in non-magnetic rare earth R=Y and La compounds. For isostructural compounds of R=Tb and Er, CP(T) curves show long range ordering at the same temperature as non-magnetic R=Y, which indicates that the super-super exchange of Cr spins dominates. For R elements of Tb and Er with large spins sitting between honeycomb sublattices composed of CrO6-TeO6 octahedra, the two sublattices of R and Cr appear to be independently magnetic.

Long-range interacting systems in the unconstrained ensemble.

PubMed

Latella, Ivan; Pérez-Madrid, Agustín; Campa, Alessandro; Casetti, Lapo; Ruffo, Stefano

2017-01-01

Completely open systems can exchange heat, work, and matter with the environment. While energy, volume, and number of particles fluctuate under completely open conditions, the equilibrium states of the system, if they exist, can be specified using the temperature, pressure, and chemical potential as control parameters. The unconstrained ensemble is the statistical ensemble describing completely open systems and the replica energy is the appropriate free energy for these control parameters from which the thermodynamics must be derived. It turns out that macroscopic systems with short-range interactions cannot attain equilibrium configurations in the unconstrained ensemble, since temperature, pressure, and chemical potential cannot be taken as a set of independent variables in this case. In contrast, we show that systems with long-range interactions can reach states of thermodynamic equilibrium in the unconstrained ensemble. To illustrate this fact, we consider a modification of the Thirring model and compare the unconstrained ensemble with the canonical and grand-canonical ones: The more the ensemble is constrained by fixing the volume or number of particles, the larger the space of parameters defining the equilibrium configurations.

Fractional viscoelasticity of soft elastomers and auxetic foams

NASA Astrophysics Data System (ADS)

Solheim, Hannah; Stanisauskis, Eugenia; Miles, Paul; Oates, William

2018-03-01

Dielectric elastomers are commonly implemented in adaptive structures due to their unique capabilities for real time control of a structure's shape, stiffness, and damping. These active polymers are often used in applications where actuator control or dynamic tunability are important, making an accurate understanding of the viscoelastic behavior critical. This challenge is complicated as these elastomers often operate over a broad range of deformation rates. Whereas research has demonstrated success in applying a nonlinear viscoelastic constitutive model to characterize the behavior of Very High Bond (VHB) 4910, robust predictions of the viscoelastic response over the entire range of time scales is still a significant challenge. An alternative formulation for viscoelastic modeling using fractional order calculus has shown significant improvement in predictive capabilities. While fractional calculus has been explored theoretically in the field of linear viscoelasticity, limited experimental validation and statistical evaluation of the underlying phenomena have been considered. In the present study, predictions across several orders of magnitude in deformation rates are validated against data using a single set of model parameters. Moreover, we illustrate the fractional order is material dependent by running complementary experiments and parameter estimation on the elastomer VHB 4949 as well as an auxetic foam. All results are statistically validated using Bayesian uncertainty methods to obtain posterior densities for the fractional order as well as the hyperelastic parameters.

Homeostatic enhancement of sensory transduction

PubMed Central

Milewski, Andrew R.; Ó Maoiléidigh, Dáibhid; Salvi, Joshua D.; Hudspeth, A. J.

2017-01-01

Our sense of hearing boasts exquisite sensitivity, precise frequency discrimination, and a broad dynamic range. Experiments and modeling imply, however, that the auditory system achieves this performance for only a narrow range of parameter values. Small changes in these values could compromise hair cells’ ability to detect stimuli. We propose that, rather than exerting tight control over parameters, the auditory system uses a homeostatic mechanism that increases the robustness of its operation to variation in parameter values. To slowly adjust the response to sinusoidal stimulation, the homeostatic mechanism feeds back a rectified version of the hair bundle’s displacement to its adaptation process. When homeostasis is enforced, the range of parameter values for which the sensitivity, tuning sharpness, and dynamic range exceed specified thresholds can increase by more than an order of magnitude. Signatures in the hair cell’s behavior provide a means to determine through experiment whether such a mechanism operates in the auditory system. Robustness of function through homeostasis may be ensured in any system through mechanisms similar to those that we describe here. PMID:28760949

Convergence properties of η → 3π decays in chiral perturbation theory

NASA Astrophysics Data System (ADS)

Kolesár, Marián; Novotný, Jiří

2017-01-01

The convergence of the decay widths and some of the Dalitz plot parameters of the decay η → 3π seems problematic in low energy QCD. In the framework of resummed chiral perturbation theory, we explore the question of compatibility of experimental data with a reasonable convergence of a carefully defined chiral series. By treating the uncertainties in the higher orders statistically, we numerically generate a large set of theoretical predictions, which are then confronted with experimental information. In the case of the decay widths, the experimental values can be reconstructed for a reasonable range of the free parameters and thus no tension is observed, in spite of what some of the traditional calculations suggest. The Dalitz plot parameters a and d can be described very well too. When the parameters b and α are concerned, we find a mild tension for the whole range of the free parameters, at less than 2σ C.L. This can be interpreted in two ways - either some of the higher order corrections are indeed unexpectedly large or there is a specific configuration of the remainders, which is, however, not completely improbable.

Hybrid Epitaxial Structures for Spintronics

DTIC Science & Technology

2002-06-03

superlat- magnetic resonance (NMR) measurements on the short tice have a perpendicular magnetization, which are range chemical order in combination...Groot, EM. Mueller, PG. van Engen , K.H.J. Buschow, [76] EG. Monzon, M.L. Roukes, J. Magn. Magn. Mater. 198-199 Phys. Rev. Lett. 50 (1983) 2024-2027

SHOX haploinsufficiency presenting with isolated short long bones in the second and third trimester.

PubMed

Ramachandrappa, Shwetha; Kulkarni, Abhijit; Gandhi, Hina; Ellis, Cheryl; Hutt, Renata; Roberts, Lesley; Hamid, Rosol; Papageorghiou, Aris; Mansour, Sahar

2018-03-01

Haploinsufficiency of the transcription factor short stature homeobox (SHOX) manifests as a spectrum of clinical phenotypes, ranging from disproportionate short stature and Madelung deformity to isolated short stature. Here, we describe five infants with molecularly confirmed diagnoses of SHOX haploinsufficiency who presented in utero with short long bones during routine antenatal scanning from as early as 19 weeks gestation. Other foetal growth parameters were normal. The molecular basis of SHOX haploinsufficiency was distinct in each case. In four cases, SHOX haploinsufficiency was inherited from a previously undiagnosed parent. In our de novo case, SHOX haploinsufficiency reflected the formation of a derivative sex chromosome during paternal meiosis. Final adult height in the SHOX-deficient parents ranged from -1.9 to -1.2 SDS. All affected parents had disproportionately short limbs and two affected mothers had bilateral Madelung deformity. To our knowledge, SHOX haploinsufficiency has not previously been reported to present in utero. Our experience illustrates that SHOX deficiency should form part of the differential diagnosis of foetal short long bones and suggests a low threshold for genetic testing. This should be particularly targeted at, but not limited to, families with a history of features suggestive of SHOX deficiency. Data on the postnatal growth of our index cases is presented which demonstrates that antenatal presentation of SHOX haploinsufficiency is not indicative of severe postnatal growth restriction. Early identification of SHOX deficiency will enable accurate genetic counselling reflecting a good postnatal outcome and facilitate optimal initiation of growth hormone therapy.

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.

Phase diagram of the underdoped cuprates at high magnetic field

NASA Astrophysics Data System (ADS)

Chakraborty, Debmalya; Morice, Corentin; Pépin, Catherine

2018-06-01

The experimentally measured phase diagram of cuprate superconductors in the temperature-applied magnetic field plane illuminates key issues in understanding the physics of these materials. At low temperature, the superconducting state gives way to a long-range charge order with increasing magnetic field; both the orders coexist in a small intermediate region. The charge order transition is strikingly insensitive to temperature and quickly reaches a transition temperature close to the zero-field superconducting Tc. We argue that such a transition along with the presence of the coexisting phase is difficult to obtain in a weak coupling competing orders formalism. We demonstrate that for some range of parameters there is an enlarged symmetry of the strongly coupled charge and superconducting orders in the system depending on their relative masses and the coupling strength of the two orders. We establish that this sharp switch from the superconducting phase to the charge order phase can be understood in the framework of a composite SU(2) order parameter comprising the charge and superconducting orders. Finally, we illustrate that there is a possibility of the coexisting phase of the competing charge and superconducting orders only when the SU(2) symmetry between them is weakly broken due to biquadratic terms in the free energy. The relation of this sharp transition to the proximity to the pseudogap quantum critical doping is also discussed.

Dale Sayers Festschrift

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stern, Edward A.

2007-02-02

This Festschrift is in honor of Dale Sayers who passed away in November 2004. Dale played a pivotal role in initiating the modern era of X-ray Absorption Fine Structure (XAFS) 35 years ago. The prehistory of XAFS before the modern era consisted of 40 years of confusion caused by Kronig's two different theories of the extended XAFS (EXAFS), the Short-Range Order (SRO) and Long-Range Order (LRO) theories. Dale's PhD thesis on EXAFS led to the idea of a Fourier transform to definitely prove that SRO is the correct theory and then to the development of XAFS as a structure determinationmore » technique.« less

Stability limits for the supercooled liquid and superheated crystal of Lennard-Jones particles

NASA Astrophysics Data System (ADS)

Loscar, Ernesto S.; Martin, Daniel A.; Grigera, Tomás S.

2017-07-01

We have studied the limits of stability in the first order liquid-solid phase transition in a Lennard-Jones system by means of the short-time relaxation method and using the bond-orientational order parameter Q6. These limits are compared with the melting line. We have paid special attention to the supercooled liquid, comparing our results with the point where the free energy cost of forming a nucleating droplet goes to zero. We also indirectly estimate the dimension associated to the critical nucleus at the spinodal, expected to be fractal according to mean field theories of nucleation.

X-ray scattering study of the spin-Peierls phase transition

NASA Astrophysics Data System (ADS)

Lumsden, Mark Douglas

1999-11-01

Scattering techniques are an essential tool in the experimental study of properties in the vicinity of a critical phase transition. Such techniques have been applied to the study of the spin-Peierls transition in pure and doped samples of CuGeO3 and in the organic compound MEM(TCNQ) 2. The spin-Peierls phase transition occurs in one-dimensional S = 1/2 Heisenberg spin chains with short-range, antiferromagnetic interactions. Such a system is unstable against a dimerization of the chains with the subsequent appearance of a gap in the magnetic excitation spectrum. Such a gap acts to lower the magnetic energy in the system and, in the presence of coupling with the lattice, causes a phase transition to a dimerized, spin-Peierls, state. High temperature stability measurements of the order parameter associated with this transition in the inorganic compound CuGeO3 indicate a continuous phase transition at a temperature of 14.05 K with a corresponding critical exponent beta of 0.345 +/- 0.03. This value is in agreement with conventional 3D universality and in closest agreement with 3D XY behaviour. We also observe a narrow asymptotic critical region which is largely responsible for the inconsistency in previously reported results. High resolution measurements of relative lattice constant changes, performed using a novel approach, indicate spontaneous strains which scale with the square of the order parameter expect near the transition temperature where differences are observed. Similar order parameter measurements were performed on samples of CuGeO 3 doped with Zn, Si, and Cd. For the case of Zn and Si doping, we obtain and exponent beta consistent with that for the pure material. Measurements on two Cd doped samples indicate results which clearly deviate from that observed in pure CuGeO3 with an exponent beta of about 0.5 consistent with mean field behaviour. We explain this change in behaviour as resulting from local strains induced by the presence of the much larger Cd2+ dopant ion. Relative lattice constant measurements indicate spontaneous strains which scale with the square of the order parameter for the doped samples as was the case for pure CuGeO3. X-ray scattering measurements of both the order parameter and critical scattering in the vicinity of the transition temperature have been performed for the organic spin-Peierls compound MEM(TCNQ)2. Order parameter measurements indicate a value of the exponent beta of 0.35 +/- 0.06 consistent with 3D universality, as was observed in the inorganic spin-Peierls material CuGeO3, and inconsistent with previous measurements which suggested mean-field behaviour. Critical scattering measurements suggest a lineshape not described by a traditional Ornstein-Zernike, Lorentzian, form but well described by a Lorentzian with a varying power or a Lorentzian+Lorentzian 2. The latter form is reminiscent of recent x-ray scattering measurements of critical phenomena associated with structural phase transitions in perovskites or with magnetic x-ray scattering measurements on Ho, Tb, and some U-based compounds. Differences between this and previous measurements are discussed.

Current-voltage characteristics in macroporous silicon/SiOx/SnO2:F heterojunctions.

PubMed

Garcés, Felipe A; Urteaga, Raul; Acquaroli, Leandro N; Koropecki, Roberto R; Arce, Roberto D

2012-07-25

We study the electrical characteristics of macroporous silicon/transparent conductor oxide junctions obtained by the deposition of fluorine doped-SnO2 onto macroporous silicon thin films using the spray pyrolysis technique. Macroporous silicon was prepared by the electrochemical anodization of a silicon wafer to produce pore sizes ranging between 0.9 to 1.2 μm in diameter. Scanning electronic microscopy was performed to confirm the pore filling and surface coverage. The transport of charge carriers through the interface was studied by measuring the current-voltage curves in the dark and under illumination. In the best configuration, we obtain a modest open-circuit voltage of about 70 mV and a short-circuit current of 3.5 mA/cm2 at an illumination of 110 mW/cm2. In order to analyze the effects of the illumination on the electrical properties of the junction, we proposed a model of two opposing diodes, each one associated with an independent current source. We obtain a good accordance between the experimental data and the model. The current-voltage curves in illuminated conditions are well fitted with the same parameters obtained in the dark where only the photocurrent intensities in the diodes are free parameters.

Directional spectra of ocean waves from microwave backscatter: A physical optics solution with application to the short-pulse and two-frequency measurement techniques

NASA Technical Reports Server (NTRS)

Jackson, F. C.

1979-01-01

Two simple microwave radar techniques that are potentially capable of providing routine satellite measurements of the directional spectrum of ocean waves were developed. One technique, the short pulse technique, makes use of very short pulses to resolve ocean surface wave contrast features in the range direction; the other technique, the two frequency correlation technique makes use of coherency in the transmitted waveform to detect the large ocean wave contrast modulation as a beat or mixing frequency in the power backscattered at two closely separated microwave frequencies. A frequency domain analysis of the short pulse and two frequency systems shows that the two measurement systems are essentially duals; they each operate on the generalized (three frequency) fourth-order statistical moment of the surface transfer function in different, but symmetrical ways, and they both measure the same directional contrast modulation spectrum. A three dimensional physical optics solution for the fourth-order moment was obtained for backscatter in the near vertical, specular regime, assuming Gaussian surface statistics.

Analytic expressions for perturbations and partial derivatives of range and range rate of a spacecraft with respect to the coefficient of the second harmonic

NASA Technical Reports Server (NTRS)

Georgevic, R. M.

1973-01-01

Closed-form analytic expressions for the time variations of instantaneous orbital parameters and of the topocentric range and range rate of a spacecraft moving in the gravitational field of an oblate large body are derived using a first-order variation of parameters technique. In addition, the closed-form analytic expressions for the partial derivatives of the topocentric range and range rate are obtained, with respect to the coefficient of the second harmonic of the potential of the central body (J sub 2). The results are applied to the motion of a point-mass spacecraft moving in the orbit around the equatorially elliptic, oblate sun, with J sub 2 approximately equal to .000027.

Magnetic properties of tapiolite (FeTa2O6); a quasi two-dimensional (2D) antiferromagnet

NASA Astrophysics Data System (ADS)

Chung, E. M. L.; Lees, M. R.; McIntyre, G. J.; Wilkinson, C.; Balakrishnan, G.; Hague, J. P.; Visser, D.; McK Paul, D.

2004-11-01

The possibilities of two-dimensional (2D) short-range magnetic correlations and frustration effects in the mineral tapiolite are investigated using bulk-property measurements and neutron Laue diffraction. In this study of the magnetic properties of synthetic single-crystals of tapiolite, we find that single crystals of FeTa2O6 order antiferromagnetically at TN = 7.95 ± 0.05 K, with extensive two-dimensional correlations existing up to at least 40 K. Although we find no evidence that FeTa2O6 is magnetically frustrated, hallmarks of two-dimensional magnetism observed in our single-crystal data include: (i) broadening of the susceptibility maximum due to short-range correlations, (ii) a spin-flop transition and (iii) lambda anomalies in the heat capacity and d(χT)/dT. Complementary neutron Laue diffraction measurements reveal 1D magnetic diffuse scattering extending along the c* direction perpendicular to the magnetic planes. This magnetic diffuse scattering, observed for the first time using the neutron Laue technique by VIVALDI, arises directly as a result of 2D short-range spin correlations.

Investigating the contribution of short wavelengths in the alerting effect of bright light.

PubMed

Sasseville, Alexandre; Martin, Jeanne Sophie; Houle, Jérôme; Hébert, Marc

2015-11-01

Short-wavelengths can have an acute impact on alertness, which is allegedly due to their action on intrinsically photosensitive retinal ganglion cells. Classical photoreceptors cannot, however, be excluded at this point in time as contributors to the alerting effect of light. The objective of this study was to compare the alerting effect at night of a white LED light source while wearing blue-blockers or not, in order to establish the contribution of short-wavelengths. 20 participants stayed awake under dim light (< 5 lx) from 23:00 h to 04:00 h on two consecutive nights. On the second night, participants were randomly assigned to one light condition for 30 min starting at 3:00 h. Group A (5M/5F) was exposed to 500 μW/cm(2) of unfiltered LED light, while group B (4M/6F) was required to wear blue-blocking glasses, while exposed to 1500 μW/cm(2) from the same light device in order to achieve 500 μW/cm(2) at eye level (as measured behind the glasses). Subjective alertness, energy, mood and anxiety were assessed for both nights at 23:30 h, 01:30 h and 03:30 h using a visual analog scale (VAS). Subjective sleepiness was assessed with the Stanford Sleepiness Scale (SSS). Subjects also performed the Conners' Continuous Performance Test II (CPT-II) in order to assess objective alertness. Mixed model analysis was used to compare VAS, SSS and CPT-II parameters. No difference between group A and group B was observed for subjective alertness, energy, mood, anxiety and sleepiness, as well as CPT-II parameters. Subjective alertness (p < 0.001), energy (p < 0.001) and sleepiness (p < 0.05) were, however improved after light exposure on the second night independently of the light condition. The current study shows that when sleepiness is high, the alerting effect of light can still be triggered at night in the absence of short-wavelengths with a 30 minute light pulse of 500 μW/cm(2). This suggests that the underlying mechanism by which a brief polychromatic light exposure improves alertness is not solely due to short-wavelengths through intrinsically photosensitive retinal ganglion cells.

Colliding droplets: A short film presentation

NASA Astrophysics Data System (ADS)

Hendricks, C. D.

1981-12-01

A series of experiments were performed in which liquid droplets were caused to collide. Impact velocities to several meters per second and droplet diameters up to 600 micrometers were used. The impact parameters in the collisions vary from zero to greater than the sum of the droplet radii. Photographs of the collisions were taken with a high speed framing camera in order to study the impacts and subsequent behavior of the droplets.

Motor unit recruitment by size does not provide functional advantages for motor performance

PubMed Central

Dideriksen, Jakob L; Farina, Dario

2013-01-01

It is commonly assumed that the orderly recruitment of motor units by size provides a functional advantage for the performance of movements compared with a random recruitment order. On the other hand, the excitability of a motor neuron depends on its size and this is intrinsically linked to its innervation number. A range of innervation numbers among motor neurons corresponds to a range of sizes and thus to a range of excitabilities ordered by size. Therefore, if the excitation drive is similar among motor neurons, the recruitment by size is inevitably due to the intrinsic properties of motor neurons and may not have arisen to meet functional demands. In this view, we tested the assumption that orderly recruitment is necessarily beneficial by determining if this type of recruitment produces optimal motor output. Using evolutionary algorithms and without any a priori assumptions, the parameters of neuromuscular models were optimized with respect to several criteria for motor performance. Interestingly, the optimized model parameters matched well known neuromuscular properties, but none of the optimization criteria determined a consistent recruitment order by size unless this was imposed by an association between motor neuron size and excitability. Further, when the association between size and excitability was imposed, the resultant model of recruitment did not improve the motor performance with respect to the absence of orderly recruitment. A consistent observation was that optimal solutions for a variety of criteria of motor performance always required a broad range of innervation numbers in the population of motor neurons, skewed towards the small values. These results indicate that orderly recruitment of motor units in itself does not provide substantial functional advantages for motor control. Rather, the reason for its near-universal presence in human movements is that motor functions are optimized by a broad range of innervation numbers. PMID:24144879

Motor unit recruitment by size does not provide functional advantages for motor performance.

PubMed

Dideriksen, Jakob L; Farina, Dario

2013-12-15

It is commonly assumed that the orderly recruitment of motor units by size provides a functional advantage for the performance of movements compared with a random recruitment order. On the other hand, the excitability of a motor neuron depends on its size and this is intrinsically linked to its innervation number. A range of innervation numbers among motor neurons corresponds to a range of sizes and thus to a range of excitabilities ordered by size. Therefore, if the excitation drive is similar among motor neurons, the recruitment by size is inevitably due to the intrinsic properties of motor neurons and may not have arisen to meet functional demands. In this view, we tested the assumption that orderly recruitment is necessarily beneficial by determining if this type of recruitment produces optimal motor output. Using evolutionary algorithms and without any a priori assumptions, the parameters of neuromuscular models were optimized with respect to several criteria for motor performance. Interestingly, the optimized model parameters matched well known neuromuscular properties, but none of the optimization criteria determined a consistent recruitment order by size unless this was imposed by an association between motor neuron size and excitability. Further, when the association between size and excitability was imposed, the resultant model of recruitment did not improve the motor performance with respect to the absence of orderly recruitment. A consistent observation was that optimal solutions for a variety of criteria of motor performance always required a broad range of innervation numbers in the population of motor neurons, skewed towards the small values. These results indicate that orderly recruitment of motor units in itself does not provide substantial functional advantages for motor control. Rather, the reason for its near-universal presence in human movements is that motor functions are optimized by a broad range of innervation numbers.

Verification of Anderson Superexchange in MnO via Magnetic Pair Distribution Function Analysis and ab initio Theory

NASA Astrophysics Data System (ADS)

Frandsen, Benjamin A.; Brunelli, Michela; Page, Katharine; Uemura, Yasutomo J.; Staunton, Julie B.; Billinge, Simon J. L.

2016-05-01

We present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ˜1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominated by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. The Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.

Analysis of a decision model in the context of equilibrium pricing and order book pricing

NASA Astrophysics Data System (ADS)

Wagner, D. C.; Schmitt, T. A.; Schäfer, R.; Guhr, T.; Wolf, D. E.

2014-12-01

An agent-based model for financial markets has to incorporate two aspects: decision making and price formation. We introduce a simple decision model and consider its implications in two different pricing schemes. First, we study its parameter dependence within a supply-demand balance setting. We find realistic behavior in a wide parameter range. Second, we embed our decision model in an order book setting. Here, we observe interesting features which are not present in the equilibrium pricing scheme. In particular, we find a nontrivial behavior of the order book volumes which reminds of a trend switching phenomenon. Thus, the decision making model alone does not realistically represent the trading and the stylized facts. The order book mechanism is crucial.

Semi-automatic characterization and simulation of VCSEL devices for high speed VSR communications

NASA Astrophysics Data System (ADS)

Pellevrault, S.; Toffano, Z.; Destrez, A.; Pez, M.; Quentel, F.

2006-04-01

Very short range (VSR) high bit rate optical fiber communications are an emerging market dedicated to local area networks, digital displays or board to board interconnects within real time calculators. In this technology, a very fast way to exchange data with high noise immunity and low-cost is needed. Optical multimode graded index fibers are used here because they have electrical noise immunity and are easier to handle than monomode fibers. 850 nm VCSEL are used in VSR communications because of their low cost, direct on-wafer tests, and the possibility of manufacturing VCSEL arrays very easily compared to classical optical transceivers using edge-emitting laser diodes. Although much research has been carried out in temperature modeling on VCSEL emitters, few studies have been devoted to characterizations over a very broad range of temperatures. Nowadays, VCSEL VSR communications tend to be used in severe environments such as space, avionics and military equipments. Therefore, a simple way to characterize VCSEL emitters over a broad range of temperature is required. In this paper, we propose a complete characterization of the emitter part of 2.5 Gb/s opto-electrical transceiver modules operating from -40°C to +120°C using 850 nm VCSELs. Our method uses simple and semi-automatic measurements of a given set of chosen device parameters in order to make fast and efficient simulations.