Magnetic exchange coupling through superconductors: A trilayer study

NASA Astrophysics Data System (ADS)

Sá de Melo, C. A.

2000-11-01

The possibility of magnetic exchange coupling between two ferromagnets (F) separated by a superconductor (S) spacer is analyzed using the functional integral method. For this coupling to occur three prima facie conditions need to be satisfied. First, an indirect exchange coupling between the ferromagnets must exist when the superconductor is in its normal state. Second, superconductivity must not be destroyed due to the proximity to ferromagnetic boundaries. Third, roughness of the F/S interfaces must be small. Under these conditions, when the superconductor is cooled to below its critical temperature, the magnetic coupling changes. The appearance of the superconducting gap introduces a new length scale (the coherence length of the superconductor) and modifies the temperature dependence of the indirect exchange coupling existent in the normal state. The magnetic coupling is oscillatory both above and below the the critical temperature of the superconductor, as well as strongly temperature-dependent. However, at low temperatures the indirect exchange coupling decay length is controlled by the coherence length of the superconductor, while at temperatures close to and above the critical temperature of the superconductor the magnetic coupling decay length is controlled by the thermal length.

Mechanical Characterization of Anion Exchange Membranes Under Controlled Environmental Conditions

DTIC Science & Technology

2015-05-11

are a common mechanical failure in fuel cell membranes, and elongation at break correlates well with microcrack resistance [29]. In an effort to...TestEquity sample chamber controlled temperature and humidity during data acquisition. Membrane resistance was defined as the low frequency intercept of...the Nyquist impedance plot and conductivity, σ, was calculated using the film dimensions where R is the membrane resistance , l 26 is the length

Tailoring transport properties of phase-separated manganite films with ordered magnetic nanostructures

DOE PAGES

Vlaminck, V.; Yanez, W.; Hoffman, J.; ...

2016-08-02

Here, the magnetotransport properties of thin manganite films (La 0.7Ca 0.3MnO 3) coupled with arrays of permalloy (Py) nanodots deposited on the surface of the film are studied as a function of temperature, magnetic field, and the size of the dots. In the presence of the magnetic dots, a reduction of the electrical resistivity is observed, especially at the insulator-to-metal transition, as well as a shift of the transition peak towards higher temperatures. This indicates that, due to local interface exchange coupling, highly conductive ferromagnetic domains are nucleated in the manganite film underneath the Py nanodots. The use of amore » simplified resistor network model allows us to estimate the size of the metallic regions induced by exchange coupling. At low temperatures, these regions extend ~70 nm beyond the edge of the nanodots, a length scale comparable to the correlation length of the ferromagnetic clusters in the phase-separated state of La 0.7Ca 0.3MnO 3.« less

Nanoscale current imaging of the conducting channels in proton exchange membrane fuel cells.

PubMed

Bussian, David A; O'Dea, James R; Metiu, Horia; Buratto, Steven K

2007-02-01

The electrochemically active area of a proton exchange membrane fuel cell (PEMFC) is investigated using conductive probe atomic force microscopy (CP-AFM). A platinum-coated AFM tip is used as a nanoscale cathode in an operating PEMFC. We present results that show highly inhomogeneous distributions of conductive surface domains at several length scales. At length scales on the order of the aqueous domains of the membrane, approximately 50 nm, we observe single channel electrochemistry. I-V curves for single conducting channels are obtained, which yield insight into the nature of conductive regions across the PEM. In addition, we demonstrate a new characterization technique, phase current correlation microscopy, which gives a direct measure of the electrochemical activity for each aqueous domain. This shows that a large number ( approximately 60%) of the aqueous domains present at the surface of an operating Nafion membrane are inactive. We attribute this to a combination of limited aqueous domain connectivity and catalyst accessibility.

Karpman-Washimi magnetization with electron-exchange effects in quantum plasmas

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

Hong, Woo-Pyo; Jamil, M.; Rasheed, A.

2015-07-15

The influence of quantum electron-exchange on the Karpman-Washimi ponderomotive magnetization is investigated in quantum plasmas. The ponderomotive magnetization and the total radiation power due to the non-stationary Karpman-Washimi interaction related to the time-varying field intensity are obtained as functions of the de Broglie wave length, Debye length, and electron-exchange parameter. The result shows that the electron-exchange effect enhances the cyclotron frequency due to the ponderomotive interactions in quantum plasmas. It is also shown that the electron-exchange effect on the Karpman-Washimi magnetization increases with increasing wave number. In addition, the Karpman-Washimi magnetization and the total radiation power increase with an increasemore » in the ratio of the Debye length to the de Broglie wave length. In streaming quantum plasmas, it is shown that the electron-exchange effect enhances the ponderomotive magnetization below the resonant wave number and, however, suppresses the ponderomotive magnetization above the resonant wave number. The variation of the Karpman-Washimi magnetization and the radiation power due to the variation of the electron-exchange effect and plasma parameters is also discussed.« less

Application of the zeta potential for stationary phase characterization in ion chromatography.

PubMed

Buszewski, Bogusław; Jaćkowska, Magdalena; Bocian, Szymon; Dziubakiewicz, Ewelina

2013-01-01

Two series of homemade stationary bonded phases for ion chromatography were investigated according to their zeta potential. One set of dendrimer anion exchanger was synthesized on the polymer support whereas the second material was prepared on the silica gel. The zeta potential data in water environment as well as buffered water solution were obtained. The influence of the length of anion-exchanger chains, the type of the support of the modified surface, and charge distribution on these data was investigated. Additionally, the zeta potential was correlated with retention factor of inorganic ions to describe their influence on the retention mechanism in ion chromatography. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Magnetic exchange coupling through superconductors : a trilayer study.

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

Sa de Melo, C. A. R.; Materials Science Division

1997-09-08

The possibility of magnetic exchange coupling between two ferromagnets (F) separated by a superconductor (S) spacer is analyzed using the functional integral method. For this coupling to occur three prima facie conditions need to be satisfied. First, an indirect exchange coupling between the ferromagnets must exist when the superconductor is in its normal state. Second, superconductivity must not be destroyed due to the proximity to ferromagnetic boundaries. Third, roughness of the F/S interfaces must be small. Under these conditions, when the superconductor is cooled to below its critical temperature, the magnetic coupling changes. The appearance of the superconducting gap introducesmore » a new length scale (the coherence length of the superconductor) and modifies the temperature dependence of the indirect exchange coupling existent in the normal state. The magnetic coupling is oscillatory both above and below the critical temperature of the superconductor, as well as strongly temperature-dependent. However, at low temperatures the indirect exchange coupling decay length is controlled by the coherence length of the superconductor, while at temperatures close to and above the critical temperature of the superconductor the magnetic coupling decay length is controlled by the thermal length.« less

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

Zhang, Wei; Krishnan, Kannan M.

Exchange bias has been investigated for more than half a century and several insightful reviews, published around the year 2000, have already summarized many key experimental and theoretical aspects related to this phenomenon. Since then, due to developments in thin-film fabrication and sophisticated characterization methods, exchange bias continues to show substantial advances; in particular, recent studies on epitaxial systems, which is the focus of this review, allow many long-standing mysteries of exchange bias to be unambiguously resolved. The advantage of epitaxial samples lies in the well-defined interface structures, larger coherence lengths, and competing magnetic anisotropies, which are often negligible inmore » polycrystalline samples. Beginning with a discussion of the microscopic spin properties at the ferromagnetic/antiferromagnetic interface, we correlate the details of spin lattices with phenomenological anisotropies, and finally connect the two by introducing realistic measurement approaches and models. We conclude by providing a brief perspective on the future of exchange bias and related studies in the context of the rapidly evolving interest in antiferromagnetic spintronics.« less

Electrical control of antiferromagnetic metal up to 15 nm

NASA Astrophysics Data System (ADS)

Zhang, PengXiang; Yin, GuFan; Wang, YuYan; Cui, Bin; Pan, Feng; Song, Cheng

2016-08-01

Manipulation of antiferromagnetic (AFM) spins by electrical means is on great demand to develop the AFM spintronics with low power consumption. Here we report a reversible electrical control of antiferromagnetic moments of FeMn up to 15 nm, using an ionic liquid to exert a substantial electric-field effect. The manipulation is demonstrated by the modulation of exchange spring in [Co/Pt]/FeMn system, where AFM moments in FeMn pin the magnetization rotation of Co/Pt. By carrier injection or extraction, the magnetic anisotropy of the top layer in FeMn is modulated to influence the whole exchange spring and then passes its influence to the [Co/Pt]/FeMn interface, through a distance up to the length of exchange spring that fully screens electric field. Comparing FeMn to IrMn, despite the opposite dependence of exchange bias on gate voltages, the same correlation between carrier density and exchange spring stiffness is demonstrated. Besides the fundamental significance of modulating the spin structures in metallic AFM via all-electrical fashion, the present finding would advance the development of low-power-consumption AFM spintronics.

The study and development of the empirical correlations equation of natural convection heat transfer on vertical rectangular sub-channels

NASA Astrophysics Data System (ADS)

Kamajaya, Ketut; Umar, Efrizon; Sudjatmi, K. S.

2012-06-01

This study focused on natural convection heat transfer using a vertical rectangular sub-channel and water as the coolant fluid. To conduct this study has been made pipe heaters are equipped with thermocouples. Each heater is equipped with five thermocouples along the heating pipes. The diameter of each heater is 2.54 cm and 45 cm in length. The distance between the central heating and the pitch is 29.5 cm. Test equipment is equipped with a primary cooling system, a secondary cooling system and a heat exchanger. The purpose of this study is to obtain new empirical correlations equations of the vertical rectangular sub-channel, especially for the natural convection heat transfer within a bundle of vertical cylinders rectangular arrangement sub-channels. The empirical correlation equation can support the thermo-hydraulic analysis of research nuclear reactors that utilize cylindrical fuel rods, and also can be used in designing of baffle-free vertical shell and tube heat exchangers. The results of this study that the empirical correlation equations of natural convection heat transfer coefficients with rectangular arrangement is Nu = 6.3357 (Ra.Dh/x)0.0740.

Backward jump continuous-time random walk: An application to market trading

NASA Astrophysics Data System (ADS)

Gubiec, Tomasz; Kutner, Ryszard

2010-10-01

The backward jump modification of the continuous-time random walk model or the version of the model driven by the negative feedback was herein derived for spatiotemporal continuum in the context of a share price evolution on a stock exchange. In the frame of the model, we described stochastic evolution of a typical share price on a stock exchange with a moderate liquidity within a high-frequency time scale. The model was validated by satisfactory agreement of the theoretical velocity autocorrelation function with its empirical counterpart obtained for the continuous quotation. This agreement is mainly a result of a sharp backward correlation found and considered in this article. This correlation is a reminiscence of such a bid-ask bounce phenomenon where backward price jump has the same or almost the same length as preceding jump. We suggested that this correlation dominated the dynamics of the stock market with moderate liquidity. Although assumptions of the model were inspired by the market high-frequency empirical data, its potential applications extend beyond the financial market, for instance, to the field covered by the Le Chatelier-Braun principle of contrariness.

Backward jump continuous-time random walk: an application to market trading.

PubMed

Gubiec, Tomasz; Kutner, Ryszard

2010-10-01

The backward jump modification of the continuous-time random walk model or the version of the model driven by the negative feedback was herein derived for spatiotemporal continuum in the context of a share price evolution on a stock exchange. In the frame of the model, we described stochastic evolution of a typical share price on a stock exchange with a moderate liquidity within a high-frequency time scale. The model was validated by satisfactory agreement of the theoretical velocity autocorrelation function with its empirical counterpart obtained for the continuous quotation. This agreement is mainly a result of a sharp backward correlation found and considered in this article. This correlation is a reminiscence of such a bid-ask bounce phenomenon where backward price jump has the same or almost the same length as preceding jump. We suggested that this correlation dominated the dynamics of the stock market with moderate liquidity. Although assumptions of the model were inspired by the market high-frequency empirical data, its potential applications extend beyond the financial market, for instance, to the field covered by the Le Chatelier-Braun principle of contrariness.

Selective laser melting in heat exchanger development - experimental investigation of heat transfer and pressure drop characteristics of wavy fins

NASA Astrophysics Data System (ADS)

Kuehndel, J.; Kerler, B.; Karcher, C.

2018-04-01

To improve performance of heat exchangers for vehicle applications, it is necessary to increase the air side heat transfer. Selective laser melting gives rise to be applied for fin development due to: i) independency of conventional tooling ii) a fast way to conduct essential experimental studies iii) high dimensional accuracy iv) degrees of freedom in design. Therefore, heat exchanger elements with wavy fins were examined in an experimental study. Experiments were conducted for air side Reynolds number range of 1400-7400, varying wavy amplitude and wave length of the fins at a constant water flow rate of 9.0 m3/h. Heat transfer and pressure drop characteristics were evaluated with Nusselt Number Nu and Darcy friction factor ψ as functions of Reynolds number. Heat transfer and pressure drop correlations were derived from measurement data obtained by regression analysis.

Revealing the magnetic proximity effect in EuS/Al bilayers through superconducting tunneling spectroscopy

NASA Astrophysics Data System (ADS)

Strambini, E.; Golovach, V. N.; De Simoni, G.; Moodera, J. S.; Bergeret, F. S.; Giazotto, F.

2017-10-01

A ferromagnetic insulator in contact with a superconductor is known to induce an exchange splitting of the singularity in the Bardeen-Cooper-Schrieffer (BCS) density of states (DoS). The magnitude of the splitting is proportional to the exchange field that penetrates into the superconductor to a depth comparable with the superconducting coherence length and which ranges in magnitude from a few to a few tens of tesla. We study this magnetic proximity effect in EuS/Al bilayers and show that the domain structure of the EuS affects the positions and the line shapes of the exchange-split BCS peaks. Remarkably, a clear exchange splitting is observed even in the unmagnetized state of the EuS layer, suggesting that the domain size of the EuS is comparable with the superconducting coherence length. Upon magnetizing the EuS layer, the splitting increases while the peaks change shape. Conductance measurements as a function of bias voltage at the lowest temperatures allowed us to relate the line shape of the split BCS DoS to the characteristic domain structure in the ultrathin EuS layer. These results pave the way to engineering triplet superconducting correlations at domain walls in EuS/Al bilayers. Furthermore, the hard gap and large splitting observed in our tunneling spectroscopy measurements make EuS/Al an excellent candidate for substituting strong magnetic fields in experiments studying Majorana bound states.

Nanomagnetic Droplets and Implications to Orbital Ordering in La1-xSrxCoO3

NASA Astrophysics Data System (ADS)

Phelan, D.; Louca, Despina; Rosenkranz, S.; Lee, S.-H.; Qiu, Y.; Chupas, P. J.; Osborn, R.; Zheng, H.; Mitchell, J. F.; Copley, J. R. D.; Sarrao, J. L.; Moritomo, Y.

2006-01-01

Inelastic cold-neutron scattering on LaCoO3 provided evidence for a distinct low energy excitation at 0.6 meV coincident with the thermally induced magnetic transition. Coexisting strong ferromagnetic (FM) and weaker antiferromagnetic correlations that are dynamic follow the activation to the excited state, identified as the intermediate S=1 spin triplet. This is indicative of dynamical orbital ordering favoring the observed magnetic interactions. With hole doping as in La1-xSrxCoO3, the FM correlations between Co spins become static and isotropically distributed due to the formation of FM droplets. The correlation length and condensation temperature of these droplets increase rapidly with metallicity due to the double exchange mechanism.

Design of exchange-correlation functionals through the correlation factor approach

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

Pavlíková Přecechtělová, Jana, E-mail: j.precechtelova@gmail.com, E-mail: Matthias.Ernzerhof@UMontreal.ca; Institut für Chemie, Theoretische Chemie / Quantenchemie, Sekr. C7, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin; Bahmann, Hilke

The correlation factor model is developed in which the spherically averaged exchange-correlation hole of Kohn-Sham theory is factorized into an exchange hole model and a correlation factor. The exchange hole model reproduces the exact exchange energy per particle. The correlation factor is constructed in such a manner that the exchange-correlation energy correctly reduces to exact exchange in the high density and rapidly varying limits. Four different correlation factor models are presented which satisfy varying sets of physical constraints. Three models are free from empirical adjustments to experimental data, while one correlation factor model draws on one empirical parameter. The correlationmore » factor models are derived in detail and the resulting exchange-correlation holes are analyzed. Furthermore, the exchange-correlation energies obtained from the correlation factor models are employed to calculate total energies, atomization energies, and barrier heights. It is shown that accurate, non-empirical functionals can be constructed building on exact exchange. Avenues for further improvements are outlined as well.« less

QCD thermodynamics with two flavors of quarks[1

NASA Astrophysics Data System (ADS)

MIMD lattice Computations (MILC) Collaboration

We present results of numerical simulations of quantum chromodynamics at finite temperature on the Intel iPSC/860 parallel processor. We performed calculations with two flavors of Kogut-Susskind quarks and of Wilson quarks on 6 × 12 3 lattices in order to study the crossover from the low temperature hadronic regime to the high temperature regime. We investigate the properties of the objects whose exchange gives static screening lengths be reconstructing their correlated quark-antiquark structure.

Bonding in the first-row diatomic molecules within the local spin-density approximation

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

Painter, G.S.; Averill, F.W.

1982-08-15

The Hohenberg-Kohn-Sham density-functional equations in the local spin-density approximation (LSDA) have been solved with essentially no loss of accuracy for dimers of the first row of the Periodic Table with the use of a fully-self-consistent spin-polarized Gaussian-orbital approach. Spectroscopic constants (binding energies, equilibrium separations, and ground-state vibrational frequencies) have been derived from the calculated potential-energy curves. Intercomparison of results obtained using the exchange-correlation functionals of Slater (scaled exchange or X..cap alpha..), Gunnarsson and Lundqvist (GL), and Vosko, Wilk, and Nusair (VWN) permits assessment of the relative merits of each and serves to identify general shortcomings in the LSDA. Basic trendsmore » are similar for each functional, but the treatment of the spin dependence of the exchange-correlation energy in the GL and VWN functionals yields a variation of the binding energy across the series which is more systematic than that in the X..cap alpha.. approximation. Agreement between the present results and those of Dunlap, Connolly, and Sabin in the X..cap alpha.., approximation confirms the accuracy of the variational charge-density-fit procedure used in the latter work. The refinements in correlation treatment within the VWN functional are reflected in improvements in binding energies which are only slight for most dimers in the series. This behavior is attributed to the error remaining in the exchange channel within the LSDA and demonstrates the necessity for self-interaction corrections for more accurate binding-energy determinations. Within the current LSDA, absolute accuracies of the VWN functional for the first-row dimers are within 2.3 eV for binding energies, 0.07 a.u. for bond lengths, and approx.200 cm/sup -1/ for vibrational frequencies.« less

Fundamental basis and implementation of shell and tube heat exchanger project design: condenser and evaporator study

NASA Astrophysics Data System (ADS)

Dalkilic, A. S.; Acikgoz, O.; Tapan, S.; Wongwises, S.

2016-12-01

A shell and tube heat exchanger is used as a condenser and an evaporator in this theoretical study. Parametric performance analyses for various actual refrigerants were performed using well-known correlations in open sources. Condensation and evaporation were occurred in the shell side while the water was flowing in the tube side of heat exchanger. Heat transfer rate from tube side was kept constant for condenser and evaporator design. Condensing temperatures were varied from 35 to 60 °C whereas evaporating temperatures were ranging from -15 to 10 °C for the refrigerants of R12, R22, R134a, R32, R507A, R404A, R502, R407C, R152A, R410A and R1234ZE. Variation of convective heat transfer coefficients of refrigerants, total heat transfer coefficients with Reynolds numbers and saturation temperatures were given as validation process considering not only fouling resistance and omission of it but also staggered (triangular) and line (square) arrangements. The minimum tube lengths and necessary pumping powers were calculated and given as case studies for the investigated refrigerants considering validation criteria. It was understood that refrigerant type, fouling resistance and arrangement type are one of the crucial issues regarding the determination of heat exchanger's size and energy consumption. Consequently, R32 and R152a were found to require the shortest tube length and lowest pumping power in the condenser, whereas R507 and R407C have the same advantages in the evaporator. Their heat transfer coefficients were also determined larger than others as expectedly.

Fluctuation scaling of quotation activities in the foreign exchange market

NASA Astrophysics Data System (ADS)

Sato, Aki-Hiro; Nishimura, Maiko; Hołyst, Janusz A.

2010-07-01

We study the scaling behavior of quotation activities for various currency pairs in the foreign exchange market. The components’ centrality is estimated from multiple time series and visualized as a currency pair network. The power-law relationship between a mean of quotation activity and its standard deviation for each currency pair is found. The scaling exponent α and the ratio between common and specific fluctuations η increase with the length of the observation time window Δt. The result means that although for Δt=1 (min), the market dynamics are governed by specific processes, and at a longer time scale Δt>100 (min) the common information flow becomes more important. We point out that quotation activities are not independently Poissonian for Δt=1 (min), and temporally or mutually correlated activities of quotations can happen even at this time scale. A stochastic model for the foreign exchange market based on a bipartite graph representation is proposed.

Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit

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

Zhou, Yongxi; Ernzerhof, Matthias, E-mail: Matthias.Ernzerhof@UMontreal.ca; Bahmann, Hilke

Drawing on the adiabatic connection of density functional theory, exchange-correlation functionals of Kohn-Sham density functional theory are constructed which interpolate between the extreme limits of the electron-electron interaction strength. The first limit is the non-interacting one, where there is only exchange. The second limit is the strong correlated one, characterized as the minimum of the electron-electron repulsion energy. The exchange-correlation energy in the strong-correlation limit is approximated through a model for the exchange-correlation hole that is referred to as nonlocal-radius model [L. O. Wagner and P. Gori-Giorgi, Phys. Rev. A 90, 052512 (2014)]. Using the non-interacting and strong-correlated extremes, variousmore » interpolation schemes are presented that yield new approximations to the adiabatic connection and thus to the exchange-correlation energy. Some of them rely on empiricism while others do not. Several of the proposed approximations yield the exact exchange-correlation energy for one-electron systems where local and semi-local approximations often fail badly. Other proposed approximations generalize existing global hybrids by using a fraction of the exchange-correlation energy in the strong-correlation limit to replace an equal fraction of the semi-local approximation to the exchange-correlation energy in the strong-correlation limit. The performance of the proposed approximations is evaluated for molecular atomization energies, total atomic energies, and ionization potentials.« less

Compressibility of the protein-water interface

NASA Astrophysics Data System (ADS)

Persson, Filip; Halle, Bertil

2018-06-01

The compressibility of a protein relates to its stability, flexibility, and hydrophobic interactions, but the measurement, interpretation, and computation of this important thermodynamic parameter present technical and conceptual challenges. Here, we present a theoretical analysis of protein compressibility and apply it to molecular dynamics simulations of four globular proteins. Using additively weighted Voronoi tessellation, we decompose the solution compressibility into contributions from the protein and its hydration shells. We find that positively cross-correlated protein-water volume fluctuations account for more than half of the protein compressibility that governs the protein's pressure response, while the self correlations correspond to small (˜0.7%) fluctuations of the protein volume. The self compressibility is nearly the same as for ice, whereas the total protein compressibility, including cross correlations, is ˜45% of the bulk-water value. Taking the inhomogeneous solvent density into account, we decompose the experimentally accessible protein partial compressibility into intrinsic, hydration, and molecular exchange contributions and show how they can be computed with good statistical accuracy despite the dominant bulk-water contribution. The exchange contribution describes how the protein solution responds to an applied pressure by redistributing water molecules from lower to higher density; it is negligibly small for native proteins, but potentially important for non-native states. Because the hydration shell is an open system, the conventional closed-system compressibility definitions yield a pseudo-compressibility. We define an intrinsic shell compressibility, unaffected by occupation number fluctuations, and show that it approaches the bulk-water value exponentially with a decay "length" of one shell, less than the bulk-water compressibility correlation length. In the first hydration shell, the intrinsic compressibility is 25%-30% lower than in bulk water, whereas its self part is 15%-20% lower. These large reductions are caused mainly by the proximity to the more rigid protein and are not a consequence of the perturbed water structure.

Compressibility of the protein-water interface.

PubMed

Persson, Filip; Halle, Bertil

2018-06-07

The compressibility of a protein relates to its stability, flexibility, and hydrophobic interactions, but the measurement, interpretation, and computation of this important thermodynamic parameter present technical and conceptual challenges. Here, we present a theoretical analysis of protein compressibility and apply it to molecular dynamics simulations of four globular proteins. Using additively weighted Voronoi tessellation, we decompose the solution compressibility into contributions from the protein and its hydration shells. We find that positively cross-correlated protein-water volume fluctuations account for more than half of the protein compressibility that governs the protein's pressure response, while the self correlations correspond to small (∼0.7%) fluctuations of the protein volume. The self compressibility is nearly the same as for ice, whereas the total protein compressibility, including cross correlations, is ∼45% of the bulk-water value. Taking the inhomogeneous solvent density into account, we decompose the experimentally accessible protein partial compressibility into intrinsic, hydration, and molecular exchange contributions and show how they can be computed with good statistical accuracy despite the dominant bulk-water contribution. The exchange contribution describes how the protein solution responds to an applied pressure by redistributing water molecules from lower to higher density; it is negligibly small for native proteins, but potentially important for non-native states. Because the hydration shell is an open system, the conventional closed-system compressibility definitions yield a pseudo-compressibility. We define an intrinsic shell compressibility, unaffected by occupation number fluctuations, and show that it approaches the bulk-water value exponentially with a decay "length" of one shell, less than the bulk-water compressibility correlation length. In the first hydration shell, the intrinsic compressibility is 25%-30% lower than in bulk water, whereas its self part is 15%-20% lower. These large reductions are caused mainly by the proximity to the more rigid protein and are not a consequence of the perturbed water structure.

Magnetic Exchange Coupling in Ferromagnetic/Superconducting/Ferromagnetic Multilayers

NASA Astrophysics Data System (ADS)

de Melo, C. A. R. Sa

2001-03-01

The possibility of magnetic exchange coupling between ferromagnets (F) separated by superconductor (S) spacers in F/S/F multilayers is analysed theoretically [1,2]. Ideal systems for the observation of magnetic coupling through superconductors are complex oxide multilayers consisting of Colossal Magneto-Resistance (CMR) Ferromagnets and High Critical Temperature Cuprate Superconductors. For this coupling to occur, three "prima facie" conditions need to be satisfied. First, an indirect exchange coupling between the ferromagnets must exist when the superconductor is in its normal state. Second, superconductivity must not be destroyed due to the proximity of ferromagnetic boundaries. Third, roughness of the F/S interfaces must be small. Under these conditions, when the superconductor is cooled below its critical temperature T_c, the magnetic coupling changes. The appearance of the superconducting gap introduces a new length scale (the coherence length of the superconductor) and modifies the temperature dependence of the indirect exchange coupling existent in the normal state. The magnetic coupling is oscillatory both above and below T_c, as well as strongly temperature-dependent. However at low temperatures the indirect exchange coupling decay length is controlled by the coherence length of the superconductor, while at temperatures close to and above Tc the magnetic coupling decay length is controlled by the thermal length. [I would like to thank the Georgia Institute of Technology, NSF (Grant No. DMR-9803111) and NATO (Grant No. CRG-972261) for financial support.] [1] C. A. R. Sa de Melo, Phys. Rev. Lett. 79, 1933 (1997). [2] C. A. R. Sa de Melo, Phys. Rev. B 62, 12303 (2000).

Scalable properties of metal clusters: A comparative study of modern exchange-correlation functionals

NASA Astrophysics Data System (ADS)

Koitz, Ralph; Soini, Thomas M.; Genest, Alexander; Trickey, S. B.; Rösch, Notker

2012-07-01

The performance of eight generalized gradient approximation exchange-correlation (xc) functionals is assessed by a series of scalar relativistic all-electron calculations on octahedral palladium model clusters Pdn with n = 13, 19, 38, 55, 79, 147 and the analogous clusters Aun (for n up through 79). For these model systems, we determined the cohesive energies and average bond lengths of the optimized octahedral structures. We extrapolate these values to the bulk limits and compare with the corresponding experimental values. While the well-established functionals BP, PBE, and PW91 are the most accurate at predicting energies, the more recent forms PBEsol, VMTsol, and VT{84}sol significantly improve the accuracy of geometries. The observed trends are largely similar for both Pd and Au. In the same spirit, we also studied the scalability of the ionization potentials and electron affinities of the Pd clusters, and extrapolated those quantities to estimates of the work function. Overall, the xc functionals can be classified into four distinct groups according to the accuracy of the computed parameters. These results allow a judicious selection of xc approximations for treating transition metal clusters.

Density functional theory study on aqueous aluminum-fluoride complexes: exploration of the intrinsic relationship between water-exchange rate constants and structural parameters for monomer aluminum complexes.

PubMed

Jin, Xiaoyan; Qian, Zhaosheng; Lu, Bangmei; Yang, Wenjing; Bi, Shuping

2011-01-01

Density functional theory (DFT) calculation is carried out to investigate the structures, (19)F and (27)Al NMR chemical shifts of aqueous Al-F complexes and their water-exchange reactions. The following investigations are performed in this paper: (1) the microscopic properties of typical aqueous Al-F complexes are obtained at the level of B3LYP/6-311+G**. Al-OH(2) bond lengths increase with F(-) replacing inner-sphere H(2)O progressively, indicating labilizing effect of F(-) ligand. The Al-OH(2) distance trans to fluoride is longer than other Al-OH(2) distance, accounting for trans effect of F(-) ligand. (19)F and (27)Al NMR chemical shifts are calculated using GIAO method at the HF/6-311+G** level relative to F(H(2)O)(6)(-) and Al(H(2)O)(6)(3+) references, respectively. The results are consistent with available experimental values; (2) the dissociative (D) activated mechanism is observed by modeling water-exchange reaction for [Al(H(2)O)(6-i)F(i)]((3-i)+) (i = 1-4). The activation energy barriers are found to decrease with increasing F(-) substitution, which is in line with experimental rate constants (k(ex)). The log k(ex) of AlF(3)(H(2)O)(3)(0) and AlF(4)(H(2)O)(2)(-) are predicted by three ways. The results indicate that the correlation between log k(ex) and Al-O bond length as well as the given transmission coefficient allows experimental rate constants to be predicted, whereas the correlation between log k(ex) and activation free energy is poor; (3) the environmental significance of this work is elucidated by the extension toward three fields, that is, polyaluminum system, monomer Al-organic system and other metal ions system with high charge-to-radius ratio.

Cell elongation is an adaptive response for clearing long chromatid arms from the cleavage plane

PubMed Central

Kotadia, Shaila; Montembault, Emilie; Sullivan, William

2012-01-01

Chromosome segregation must be coordinated with cell cleavage to ensure correct transmission of the genome to daughter cells. Here we identify a novel mechanism by which Drosophila melanogaster neuronal stem cells coordinate sister chromatid segregation with cleavage furrow ingression. Cells adapted to a dramatic increase in chromatid arm length by transiently elongating during anaphase/telophase. The degree of cell elongation correlated with the length of the trailing chromatid arms and was concomitant with a slight increase in spindle length and an enlargement of the zone of cortical myosin distribution. Rho guanine-nucleotide exchange factor (Pebble)–depleted cells failed to elongate during segregation of long chromatids. As a result, Pebble-depleted adult flies exhibited morphological defects likely caused by cell death during development. These studies reveal a novel pathway linking trailing chromatid arms and cortical myosin that ensures the clearance of chromatids from the cleavage plane at the appropriate time during cytokinesis, thus preserving genome integrity. PMID:23185030

Effect of alkaline material on phytotoxicity and bioavailability of Cu, Cd, Pb and Zn in stabilized sewage sludge.

PubMed

Zhang, Hongling; Ma, Guofeng; Sun, Lina; Li, Huiying

2017-07-16

The availability and phytotoxicity of heavy metals in sewage sludge is the key restrictive factor that limits sludge application. In this study, municipal sewage sludge was stabilized by alkaline slag or coal fly ash, then the leaching characteristic and fraction distributions of Cu, Cd, Pb and Zn were studied, and their effects on seed germination, root length, and plant accumulating were compared. The results showed that mixed sewage sludge with alkaline slag and coal fly ash decreased the percentage of available heavy metals in sewage sludge. The percentage of exchangeable Cu, Pb, Zn and Cd in stabilized sewage sludge (S1-S4) was 1.50-8.67 times lower than that in SS-only treatment. Leachate Cd, Cu, Pb and Zn from stabilized SS was much lower than the limit threshold. The addition of alkaline materials to SS reduced the inhibitory effect on seed germination and root growth. Pearson's correlation analysis indicated that there was a significant negative correlation between pH and available heavy metals, while a significant positive correlation between the percentage of exchangeable fraction of heavy metals, the leaching potential, tissue concentration and accumulation of heavy metal and toxicity for seed germination was observed.

Slotting Fins of Heat Exchangers to Provide Thermal Breaks

NASA Technical Reports Server (NTRS)

Scull, Timothy D.

2003-01-01

Heat exchangers that include slotted fins (in contradistinction to continuous fins) have been invented. The slotting of the fins provides thermal breaks that reduce thermal conduction along flow paths (longitudinal thermal conduction), which reduces heat-transfer efficiency. By increasing the ratio between transverse thermal conduction (the desired heat-transfer conduction) and longitudinal thermal conduction, slotting of the fins can be exploited to (1) increase heat-transfer efficiency (thereby reducing operating cost) for a given heat-exchanger length or to (2) reduce the length (thereby reducing the weight and/or cost) of the heat exchanger needed to obtain a given heat transfer efficiency. By reducing the length of a heat exchanger, one can reduce the pressure drop associated with the flow through it. In a case in which slotting enables the use of fins with thermal conductivity greater than could otherwise be tolerated on the basis of longitudinal thermal conduction, one can exploit the conductivity to make the fins longer (in the transverse direction) than they otherwise could be, thereby making it possible to make a heat exchanger that contains fewer channels and therefore, that weighs less, contains fewer potential leak paths, and can be constructed from fewer parts and, hence, reduced cost.

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.

Inclusion of electron correlation for the target wave function in low-energy e sup minus +N sub 2 scattering

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

Meyer, H.; Pal, S.; Riss, U.V.

1992-07-01

The interaction of a scattering electron with a correlated but frozen'' target may be called the correlated static-exchange interaction. There are two prior investigations (J.R. Rumble, W.J. Stevens, and D. Truhlar, J. Phys. B 17, 3151 (1984); C Weatherford, F.B. Brown, and A. Temkin, Phys. Rev. A 35, 4561 (1987)) on scattering off the correlated static-exchange potential. Both of these investigations concentrated on {ital e}{sup {minus}}+N{sub 2} scattering, and both have found that the correlated static-exchange potential is less attractive than the static-exchange potential. We will show, however, that the correlated static-exchange potential is more attractive than the static-exchange one---atmore » least for {ital e}{sup {minus}}+N{sub 2} scattering in {sup 2}{Pi}{sub {ital g}} symmetry. The two prior investigations were misled by an improper degree of correlation and by an improper treatment of the exchange.« less

Detrended cross-correlation analysis on RMB exchange rate and Hang Seng China Enterprises Index

NASA Astrophysics Data System (ADS)

Ruan, Qingsong; Yang, Bingchan; Ma, Guofeng

2017-02-01

In this paper, we investigate the cross-correlations between the Hang Seng China Enterprises Index and RMB exchange markets on the basis of a cross-correlation statistic test and multifractal detrended cross-correlation analysis (MF-DCCA). MF-DCCA has, at best, serious limitations for most of the signals describing complex natural processes and often indicates multifractal cross-correlations when there are none. In order to prevent these false multifractal cross-correlations, we apply MFCCA to verify the cross-correlations. Qualitatively, we find that the return series of the Hang Seng China Enterprises Index and RMB exchange markets were, overall, significantly cross-correlated based on the statistical analysis. Quantitatively, we find that the cross-correlations between the stock index and RMB exchange markets were strongly multifractal, and the multifractal degree of the onshore RMB exchange markets was somewhat larger than the offshore RMB exchange markets. Moreover, we use the absolute return series to investigate and confirm the fact of multifractality. The results from the rolling windows show that the short-term cross-correlations between volatility series remain high.

Cross-correlations between RMB exchange rate and international commodity markets

NASA Astrophysics Data System (ADS)

Lu, Xinsheng; Li, Jianfeng; Zhou, Ying; Qian, Yubo

2017-11-01

This paper employs multifractal detrended analysis (MF-DFA) and multifractal detrended cross-correlation analysis (MF-DCCA) to study cross-correlation behaviors between China's RMB exchange rate market and four international commodity markets, using a comprehensive set of data covering the period from 22 July 2005 to 15 March 2016. Our empirical results from MF-DFA indicate that the RMB exchange rate is the most inefficient among the 4 selected markets. The results from quantitative analysis have testified the existence of cross-correlations and the result from MF-DCCA have further confirmed a strong multifractal behavior between RMB exchange rate and international commodity markets. We also demonstrate that the recent financial crisis has significant impact on the cross-correlated behavior. Through the rolling window analysis, we find that the RMB exchange rates and international commodity prices are anti-persistent cross-correlated. The main sources of multifractality in the cross-correlations are long-range correlations between RMB exchange rate and the aggregate commodity, energy and metals index.

Correlation based networks of equity returns sampled at different time horizons

NASA Astrophysics Data System (ADS)

Tumminello, M.; di Matteo, T.; Aste, T.; Mantegna, R. N.

2007-01-01

We investigate the planar maximally filtered graphs of the portfolio of the 300 most capitalized stocks traded at the New York Stock Exchange during the time period 2001 2003. Topological properties such as the average length of shortest paths, the betweenness and the degree are computed on different planar maximally filtered graphs generated by sampling the returns at different time horizons ranging from 5 min up to one trading day. This analysis confirms that the selected stocks compose a hierarchical system progressively structuring as the sampling time horizon increases. Finally, a cluster formation, associated to economic sectors, is quantitatively investigated.

Generalization of the optimized-effective-potential model to include electron correlation: A variational derivation of the Sham-Schlueter equation for the exact exchange-correlation potential

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

Casida, M.E.

1995-03-01

The now classic optimized-effective-potential (OEP) approach of Sharp and Horton [Phys Rev. 90, 317 (1953)] and Talman and Shadwick [Phys. Rev. A 14, 36 (1976)] seeks the local potential that is variationally optimized to best approximate the Hartree-Fock exchange operator. The resulting OEP can be identified as the exchange potential of Kohn-Sham density-functional theory. The present work generalizes this OEP approach to treat the correlated case, and shows that the Kohn-Sham exchange-correlation potential is the variationally best local approximation to the exchange-correlation self-energy. This provides a variational derivation of the equation for the exact exchange-correlation potential that was derived bymore » Sham and Schlueter using a density condition. Implications for an approximate physical interpretation of the Kohn-Sham orbitals are discussesd. A correlated generalization of the Sharp-Horton--Krieger-Li-Iafrate [Phys Lett. A 146, 256 (1990)] approximation of the exchange potential is introduced in the quasiparticle limit.« less

Linear and nonlinear susceptibilities from diffusion quantum Monte Carlo: application to periodic hydrogen chains.

PubMed

Umari, P; Marzari, Nicola

2009-09-07

We calculate the linear and nonlinear susceptibilities of periodic longitudinal chains of hydrogen dimers with different bond-length alternations using a diffusion quantum Monte Carlo approach. These quantities are derived from the changes in electronic polarization as a function of applied finite electric field--an approach we recently introduced and made possible by the use of a Berry-phase, many-body electric-enthalpy functional. Calculated susceptibilities and hypersusceptibilities are found to be in excellent agreement with the best estimates available from quantum chemistry--usually extrapolations to the infinite-chain limit of calculations for chains of finite length. It is found that while exchange effects dominate the proper description of the susceptibilities, second hypersusceptibilities are greatly affected by electronic correlations. We also assess how different approximations to the nodal surface of the many-body wave function affect the accuracy of the calculated susceptibilities.

Boiling of multicomponent working fluids used in refrigeration and cryogenic systems

NASA Astrophysics Data System (ADS)

Mogorychny, V. I.; Dolzhikov, A. S.

2017-11-01

Working fluids based on mixtures are widely used in cryogenic and refrigeration engineering. One of the main elements of low-temperature units is a recuperative heat exchanger where the return flow cools the direct (cold regeneration is carrying out) resulting in continuous boiling and condensation of the multicomponent working fluid in the channels. The temperature difference between the inlet and outlet of the heat exchanger can be more than 100K, which leads to a strong change in thermophysical properties along its length. In addition, the fraction of the liquid and vapor phases in the flow varies very much, which affects the observed flow regimes in the heat exchanger channels. At the moment there are not so many experimental data and analytical correlations that would allow to estimate the heat transfer coefficient during the flow of a two-phase mixture flow at low temperatures. The work is devoted to the study of the boiling process of multicomponent working fluids used in refrigeration and cryogenic engineering. The description of the method of determination of heat transfer coefficient during boiling of mixtures in horizontal heated channel is given as well as the design of the experimental stand allowing to make such measurements. This stand is designed on the basis of a refrigeration unit operating on the Joule-Thomson throttle cycle and makes it possible to measure the heat transfer coefficient with a good accuracy. Also, the calculated values of the heat transfer coefficient, obtained with the use of various correlations, are compared with the existing experimental data. Knowing of the heat transfer coefficient will be very useful in the design of heat exchangers for low-temperature units operating on a mixture refrigerant.

Correlation and volatility in an Indian stock market: A random matrix approach

NASA Astrophysics Data System (ADS)

Kulkarni, Varsha; Deo, Nivedita

2007-11-01

We examine the volatility of an Indian stock market in terms of correlation of stocks and quantify the volatility using the random matrix approach. First we discuss trends observed in the pattern of stock prices in the Bombay Stock Exchange for the three-year period 2000 2002. Random matrix analysis is then applied to study the relationship between the coupling of stocks and volatility. The study uses daily returns of 70 stocks for successive time windows of length 85 days for the year 2001. We compare the properties of matrix C of correlations between price fluctuations in time regimes characterized by different volatilities. Our analyses reveal that (i) the largest (deviating) eigenvalue of C correlates highly with the volatility of the index, (ii) there is a shift in the distribution of the components of the eigenvector corresponding to the largest eigenvalue across regimes of different volatilities, (iii) the inverse participation ratio for this eigenvector anti-correlates significantly with the market fluctuations and finally, (iv) this eigenvector of C can be used to set up a Correlation Index, CI whose temporal evolution is significantly correlated with the volatility of the overall market index.

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

Borreguero, Jose M.; Pincus, Philip A.; Sumpter, Bobby G.

Structure–property relationships of ionic block copolymer (BCP) surfactant complexes are critical toward the progress of favorable engineering design of efficient charge-transport materials. In this paper, molecular dynamics simulations are used to understand the dynamics of charged-neutral BCP and surfactant complexes. The dynamics are examined for two different systems: charged-neutral double-hydrophilic and hydrophobic–hydrophilic block copolymers with oppositely charged surfactant moieties. The dynamics of the surfactant head, tails, and charges are studied for five different BCP volume fractions. We observe that the dynamics of the different species solely depend on the balance between electrostatic and entropic interactions between the charged species andmore » the neutral monomers. The favorable hydrophobic–hydrophobic interactions and the unfavorable hydrophobic–hydrophilic interactions determine the mobilities of the monomers. The dynamical properties of the charge species influence complex formation. Structural relaxations exhibit length-scale dependent behavior, with slower relaxation at the radius of gyration length-scale and faster relaxation at the segmental length-scale, consistent with previous results. The dynamical analysis correlates ion-exchange kinetics to the self-assembly behavior of the complexes.« less

Exchange bias properties of 140 nm-sized dipolarly interacting circular dots with ultrafine IrMn and NiFe layers

NASA Astrophysics Data System (ADS)

Spizzo, F.; Tamisari, M.; Chinni, F.; Bonfiglioli, E.; Gerardino, A.; Barucca, G.; Bisero, D.; Fin, S.; Del Bianco, L.

2016-02-01

We studied the exchange bias effect in an array of IrMn(3 nm)/NiFe(3 nm) circular dots (size 140 nm and center-to-center distance 200 nm, as revealed by microscopy analyses), prepared on a large area (3×3 mm2) by electron beam lithography and lift-off, using dc sputtering deposition. Hysteresis loops were measured by SQUID magnetometer at increasing values of temperature T (in the 5-300 K range) after cooling from 300 K down to 5 K in zero field (ZFC mode) and in a saturating magnetic field (FC mode). The exchange bias effect disappears above T 200 K and, at each temperature, the exchange field HEX measured in ZFC is substantially lower than the FC one. Micromagnetic calculations indicate that, at room temperature, each dot is in high-remanence ground state, but magnetic dipolar interactions establish a low-remanence configuration of the array as a whole. Hence, at low temperature, following the ZFC procedure, the exchange anisotropy in the dot array is averaged out, tending to zero. However, even the FC values of HEX and of the coercivity HC are definitely smaller compared to those measured in a reference continuous film with the same stack configuration (at T=5 K, HEX 90 Oe and HC 180 Oe in the dots and HEX 1270 Oe and HC 860 Oe in the film). Our explanation is based on the proven glassy magnetic nature of the ultrathin IrMn layer, implying the existence of magnetic correlations among the spins, culminating in a collective freezing below T 100 K. We propose, also by the light of micromagnetic simulations, that the small dot size imposes a spatial constraint on the magnetic correlation length among the IrMn spins so that, even at the lowest temperature, their thermal stability, especially at the dot border, is compromised.

Exchange and correlation in positronium-molecule scattering

NASA Astrophysics Data System (ADS)

Fabrikant, I. I.; Wilde, R. S.

2018-05-01

Exchange and correlations play a particularly important role in positronium (Ps) collisions with atoms and molecules, since the static potential for Ps interaction with a neutral system is zero. Theoretical description of both effects is a very challenging task. In the present work we use the free-electron-gas model to describe exchange and correlations in Ps collisions with molecules similar to the approach widely used in the theory of electron-molecule collisions. The results for exchange and correlation energies are presented as functions of the Fermi momentum of the electron gas and the Ps incident energy. Using the Thomas-Fermi model, these functions can be converted into exchange and correlation potentials for Ps interaction with molecules as functions of the distance between the projectile and the target.

Density functional with full exact exchange, balanced nonlocality of correlations, and constraint satisfaction

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

Tao, Jianmin; Perdew, John P; Staroverov, Viktor N

2008-01-01

We construct a nonlocal density functional approximation with full exact exchange, while preserving the constraint-satisfaction approach and justified error cancellations of simpler semilocal functionals. This is achieved by interpolating between different approximations suitable for two extreme regions of the electron density. In a 'normal' region, the exact exchange-correlation hole density around an electron is semilocal because its spatial range is reduced by correlation and because it integrates over a narrow range to -1. These regions are well described by popular semilocal approximations (many of which have been constructed nonempirically), because of proper accuracy for a slowly-varying density or because ofmore » error cancellation between exchange and correlation. 'Abnormal' regions, where non locality is unveiled, include those in which exchange can dominate correlation (one-electron, nonuniform high-density, and rapidly-varying limits), and those open subsystems of fluctuating electron number over which the exact exchange-correlation hole integrates to a value greater than -1. Regions between these extremes are described by a hybrid functional mixing exact and semi local exchange energy densities locally (i.e., with a mixing fraction that is a function of position r and a functional of the density). Because our mixing fraction tends to 1 in the high-density limit, we employ full exact exchange according to the rigorous definition of the exchange component of any exchange-correlation energy functional. Use of full exact exchange permits the satisfaction of many exact constraints, but the nonlocality of exchange also requires balanced nonlocality of correlation. We find that this nonlocality can demand at least five empirical parameters (corresponding roughly to the four kinds of abnormal regions). Our local hybrid functional is perhaps the first accurate size-consistent density functional with full exact exchange. It satisfies other known exact constraints, including exactness for all one-electron densities, and provides an excellent, fit 1.0 the 223 molecular enthalpies of formation of the G3/99 set and the 42 reaction barrier heights of the BH42/03 set, improving both (but especially the latter) over most semilocal functionals and global hybrids. Exact constraints, physical insights, and paradigm examples hopefully suppress 'overfitting'.« less

Rates of ligand exchange between >FeIII-OH2 functional groups on a nanometer-sized aqueous cluster and bulk solution.

PubMed

Balogh, Edina; Todea, Ana Maria; Müller, Achim; Casey, William H

2007-08-20

Variable-temperature 17O NMR experiments were conducted on the nanometer-sized Keplerate Mo72Fe30 cluster, with the stoichiometry [Mo72Fe30O252(CH3COO)12[Mo2O7(H2O)]2[H2Mo2O8(H2O)](H2O)91]. approximately 150H2O. This molecule contains on its surface 30 Fe(H2O) groups forming a well-defined icosidodecahedron, and we estimated the rates of exchange of the isolated >FeIII-OH2 waters with bulk aqueous solution. Both longitudinal and transverse 17O-relaxation times were measured, as well as chemical shifts, and these parameters were then fit to the Swift-Connick equations in order to obtain the rate parameters. Correspondingly, we estimate: k(ex)298 = 6.7(+/-0.8) x 106 s-1, which is about a factor of approximately 4 x 104 times larger than the corresponding rate coefficient for the Fe(OH2)63+ ion of k(ex)298 = 1.6 x 102 s-1 (Grant and Jordan, 1981; Inorg. Chem. 20, 55-60) and DeltaH and DeltaS are 26.3 +/- 0.6 kJ mol-1 and -26 +/- 0.9 J mol-1 K-1, respectively. High-pressure 17O NMR experiments were also conducted, but the cluster decomposed slightly under pressure, which precluded confident quantitative estimation of the DeltaV. However, the increase in the reduced transverse-relaxation time with pressure suggests a dissociative character, such as a D or Id mechanism. The enhanced reactivity of waters on the Mo72Fe30 cluster is associated with an increase in the FeIII-OH2 bond length in the solid state of approximately 0.1 A relative to the Fe(OH2)63+ ion, suggesting that a correlation exists between the FeIII-OH2 bond length and k(ex)298. Although there are only few high-spin Fe(III) complexes where both exchange rates and structural data are available, these few seem to support a general correlation.

Development of stock correlation networks using mutual information and financial big data.

PubMed

Guo, Xue; Zhang, Hu; Tian, Tianhai

2018-01-01

Stock correlation networks use stock price data to explore the relationship between different stocks listed in the stock market. Currently this relationship is dominantly measured by the Pearson correlation coefficient. However, financial data suggest that nonlinear relationships may exist in the stock prices of different shares. To address this issue, this work uses mutual information to characterize the nonlinear relationship between stocks. Using 280 stocks traded at the Shanghai Stocks Exchange in China during the period of 2014-2016, we first compare the effectiveness of the correlation coefficient and mutual information for measuring stock relationships. Based on these two measures, we then develop two stock networks using the Minimum Spanning Tree method and study the topological properties of these networks, including degree, path length and the power-law distribution. The relationship network based on mutual information has a better distribution of the degree and larger value of the power-law distribution than those using the correlation coefficient. Numerical results show that mutual information is a more effective approach than the correlation coefficient to measure the stock relationship in a stock market that may undergo large fluctuations of stock prices.

Development of stock correlation networks using mutual information and financial big data

PubMed Central

Guo, Xue; Zhang, Hu

2018-01-01

Stock correlation networks use stock price data to explore the relationship between different stocks listed in the stock market. Currently this relationship is dominantly measured by the Pearson correlation coefficient. However, financial data suggest that nonlinear relationships may exist in the stock prices of different shares. To address this issue, this work uses mutual information to characterize the nonlinear relationship between stocks. Using 280 stocks traded at the Shanghai Stocks Exchange in China during the period of 2014-2016, we first compare the effectiveness of the correlation coefficient and mutual information for measuring stock relationships. Based on these two measures, we then develop two stock networks using the Minimum Spanning Tree method and study the topological properties of these networks, including degree, path length and the power-law distribution. The relationship network based on mutual information has a better distribution of the degree and larger value of the power-law distribution than those using the correlation coefficient. Numerical results show that mutual information is a more effective approach than the correlation coefficient to measure the stock relationship in a stock market that may undergo large fluctuations of stock prices. PMID:29668715

Oil price and exchange rate co-movements in Asian countries: Detrended cross-correlation approach

NASA Astrophysics Data System (ADS)

Hussain, Muntazir; Zebende, Gilney Figueira; Bashir, Usman; Donghong, Ding

2017-01-01

Most empirical literature investigates the relation between oil prices and exchange rate through different models. These models measure this relationship on two time scales (long and short terms), and often fail to observe the co-movement of these variables at different time scales. We apply a detrended cross-correlation approach (DCCA) to investigate the co-movements of the oil price and exchange rate in 12 Asian countries. This model determines the co-movements of oil price and exchange rate at different time scale. The exchange rate and oil price time series indicate unit root problem. Their correlation and cross-correlation are very difficult to measure. The result becomes spurious when periodic trend or unit root problem occurs in these time series. This approach measures the possible cross-correlation at different time scale and controlling the unit root problem. Our empirical results support the co-movements of oil prices and exchange rate. Our results support a weak negative cross-correlation between oil price and exchange rate for most Asian countries included in our sample. The results have important monetary, fiscal, inflationary, and trade policy implications for these countries.

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.

Phase correlation of foreign exchange time series

NASA Astrophysics Data System (ADS)

Wu, Ming-Chya

2007-03-01

Correlation of foreign exchange rates in currency markets is investigated based on the empirical data of USD/DEM and USD/JPY exchange rates for a period from February 1 1986 to December 31 1996. The return of exchange time series is first decomposed into a number of intrinsic mode functions (IMFs) by the empirical mode decomposition method. The instantaneous phases of the resultant IMFs calculated by the Hilbert transform are then used to characterize the behaviors of pricing transmissions, and the correlation is probed by measuring the phase differences between two IMFs in the same order. From the distribution of phase differences, our results show explicitly that the correlations are stronger in daily time scale than in longer time scales. The demonstration for the correlations in periods of 1986-1989 and 1990-1993 indicates two exchange rates in the former period were more correlated than in the latter period. The result is consistent with the observations from the cross-correlation calculation.

Cross-correlations between crude oil and exchange markets for selected oil rich economies

NASA Astrophysics Data System (ADS)

Li, Jianfeng; Lu, Xinsheng; Zhou, Ying

2016-07-01

Using multifractal detrended cross-correlation analysis (MF-DCCA), this paper studies the cross-correlation behavior between crude oil market and five selected exchange rate markets. The dataset covers the period of January 1,1996-December 31,2014, and contains 4,633 observations for each of the series, including daily closing prices of crude oil, Australian Dollars, Canadian Dollars, Mexican Pesos, Russian Rubles, and South African Rand. Our empirical results obtained from cross-correlation statistic and cross-correlation coefficient have confirmed the existence of cross-correlations, and the MF-DCCA results have demonstrated a strong multifractality between cross-correlated crude oil market and exchange rate markets in both short term and long term. Using rolling window analysis, we have also found the persistent cross-correlations between the exchange rates and crude oil returns, and the cross-correlation scaling exponents exhibit volatility during some time periods due to its sensitivity to sudden events.

Exchange-Correlation Hole in Polarized Insulators: Implications for the Microscopic Functional Theory of Dielectrics

NASA Astrophysics Data System (ADS)

Ortiz, Gerardo; Souza, Ivo; Martin, Richard M.

1998-01-01

We present a simple and direct proof that the exchange-correlation hole, and therefore the exchange-correlation energy, in a polarized insulator is not determined by the bulk density alone. It is uniquely characterized by the density and the macroscopic electric polarization of the dielectric medium.

Microsecond kinetics in model single- and double-stranded amylose polymers.

PubMed

Sattelle, Benedict M; Almond, Andrew

2014-05-07

Amylose, a component of starch with increasing biotechnological significance, is a linear glucose polysaccharide that self-organizes into single- and double-helical assemblies. Starch granule packing, gelation and inclusion-complex formation result from finely balanced macromolecular kinetics that have eluded precise experimental quantification. Here, graphics processing unit (GPU) accelerated multi-microsecond aqueous simulations are employed to explore conformational kinetics in model single- and double-stranded amylose. The all-atom dynamics concur with prior X-ray and NMR data while surprising and previously overlooked microsecond helix-coil, glycosidic linkage and pyranose ring exchange are hypothesized. In a dodecasaccharide, single-helical collapse was correlated with linkages and rings transitioning from their expected syn and (4)C1 chair conformers. The associated microsecond exchange rates were dependent on proximity to the termini and chain length (comparing hexa- and trisaccharides), while kinetic features of dodecasaccharide linkage and ring flexing are proposed to be a good model for polymers. Similar length double-helices were stable on microsecond timescales but the parallel configuration was sturdier than the antiparallel equivalent. In both, tertiary organization restricted local chain dynamics, implying that simulations of single amylose strands cannot be extrapolated to dimers. Unbiased multi-microsecond simulations of amylose are proposed as a valuable route to probing macromolecular kinetics in water, assessing the impact of chemical modifications on helical stability and accelerating the development of new biotechnologies.

Magnetic Yoking and Tunable Interactions in FePt-Based Hard/Soft Bilayers

PubMed Central

Gilbert, Dustin A.; Liao, Jung-Wei; Kirby, Brian J.; Winklhofer, Michael; Lai, Chih-Huang; Liu, Kai

2016-01-01

Magnetic interactions in magnetic nanostructures are critical to nanomagnetic and spintronic explorations. Here we demonstrate an extremely sensitive magnetic yoking effect and tunable interactions in FePt based hard/soft bilayers mediated by the soft layer. Below the exchange length, a thin soft layer strongly exchange couples to the perpendicular moments of the hard layer; above the exchange length, just a few nanometers thicker, the soft layer moments turn in-plane and act to yoke the dipolar fields from the adjacent hard layer perpendicular domains. The evolution from exchange to dipolar-dominated interactions is experimentally captured by first-order reversal curves, the ΔM method, and polarized neutron reflectometry, and confirmed by micromagnetic simulations. These findings demonstrate an effective yoking approach to design and control magnetic interactions in wide varieties of magnetic nanostructures and devices. PMID:27604428

Interstaple Dithiol Cross-Linking in Au(25)(SR)(18) Nanomolecules: A Combined Mass Spectrometric and Computational Study

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

Jiang, Deen; Dass, Amala; Tschumper, Gregory

2011-01-01

A systematic study of cross-linking chemistry of the Au{sub 25}(SR){sub 18} nanomolecule by dithiols of varying chain length, HS-(CH2)n-SH where n = 2, 3, 4, 5, and 6, is presented here. Monothiolated Au{sub 25} has six [RSAuSRAuSR] staple motifs on its surface, and MALDI mass spectrometry data of the ligand exchanged clusters show that propane (C3) and butane (C4) dithiols have ideal chain lengths for interstaple cross-linking and that up to six C3 or C4 dithiols can be facilely exchanged onto the cluster surface. Propanedithiol predominately exchanges with two monothiols at a time, making cross-linking bridges, while butanedithiol can exchangemore » with either one or two monothiols at a time. The extent of cross-linking can be controlled by the Au{sub 25}(SR){sub 18} to dithiol ratio, the reaction time of ligand exchange, or the addition of a hydrophobic tail to the dithiol. MALDI MS suggests that during ethane (C2) dithiol exchange, two ethanedithiols become connected by a disulfide bond; this result is supported by density functional theory (DFT) prediction of the optimal chain length for the intrastaple coupling. Both optical absorption spectroscopy and DFT computations show that the electronic structure of the Au{sub 25} nanomolecule retains its main features after exchange of up to eight monothiol ligands.« less

Ground-state properties of trapped Bose-Fermi mixtures: Role of exchange correlation

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

Albus, Alexander P.; Wilkens, Martin; Illuminati, Fabrizio

2003-06-01

We introduce density-functional theory for inhomogeneous Bose-Fermi mixtures, derive the associated Kohn-Sham equations, and determine the exchange-correlation energy in local-density approximation. We solve numerically the Kohn-Sham system, and determine the boson and fermion density distributions and the ground-state energy of a trapped, dilute mixture beyond mean-field approximation. The importance of the corrections due to exchange correlation is discussed by a comparison with current experiments; in particular, we investigate the effect of the repulsive potential-energy contribution due to exchange correlation on the stability of the mixture against collapse.

Observations of Cross-Surf-zone / Inner-shelf Dye Exchange from Aerial Hyperspectral and in Situ Data.

NASA Astrophysics Data System (ADS)

Grimes, D. J.; Giddings, S. N.; Kumar, N.; Pawlak, G. R.; Feddersen, F.

2016-12-01

Understanding the cross-shelf exchange of nearshore sourced tracers across the surfzone and onto the stratified inner-shelf is critical to be able to predict the evolution of pollution events, HAB, and larval transport, which will enable policy and mitigation efforts. The CSIDE (Cross Surfzone / Inner-shelf Dye Exchange) experiment (Sept & Oct 2015) provides observations to quantify dye tracer exchange across the surfzone/inner-shelf region with 3 dye release experiments. Shoreline released dye and temperature is tracked for 48 hrs and 20 km using aerial hyperspectral and IR imagery, in situ near-shoreline fluorometers, moored wire-walkers, AUV, and boat based towed observations. Here, we focus on the 3rd release, where dye was pumped into the mouth of the Tijuana River / Estuary during an ebb tide with low river discharge. The dye field was transported alongshore in a large coherent patch extending 1 km from shore. The plume persisted overnight with weak dilution and its center of mass was observed to move 3+ km north over 18 hrs. Aerial hyperspectral and in situ observations are analyzed to examine the horizontal and vertical dye distribution. In particular, we will explore the extent to which the stratified inner-shelf is a "material barrier," whether an observed surfzone dye and temperature correlation is maintained on the stratified inner-shelf, at what time- and length-scales, and the processes influencing this relationship.

Experimental and theoretical study of horizontal tube bundle for passive condensation heat transfer

NASA Astrophysics Data System (ADS)

Song, Yong Jae

The research in this thesis supports the design of a horizontal tube bundle condenser for passive heat removal system in nuclear reactors. From nuclear power plant containment, condensation of steam from a steam/noncondensable gas occurs on the primary side and boiling occurs on the secondary side; thus, heat exchanger modeling is a challenge. For the purpose of this experimental study, a six-tube bundle is used, where the outer diameter, inner diameter, and length of each stainless steel tube measures 38.10mm (1.5 inches), 31.75mm (1.25 inches) and 3.96m (156 inches), respectively. The pitch to diameter ratio was determined based on information gathered from literature surveys, and the dimensions were determined from calculations and experimental data. The objective of the calculations, correlations, and experimental data was to obtain complete condensation within the tube bundle. Experimental conditions for the tests in this thesis work were determined from Design Basis Accident (DBA). The applications are for an actual Passive Containment Cooling Systems (PCCS) condenser under postulated accident conditions in future light water reactors. In this research, steady state and transient experiments were performed to investigate the effect of noncondensable gas on steam condensation inside and boiling outside a tube bundle heat exchanger. The condenser tube inlet steam mass flow rate varied from 18.0 to 48.0 g/s, the inlet pressure varied from 100 kPa to 400 kPa, and the inlet noncondensable gas mass fraction varied from 1% to 10%. The effect of the noncondensable gas was examined by comparing the tube centerline temperatures for various inlet and system conditions. As a result, it was determined that the noncondensable gas accumulated near the condensate film causing a decrease of mass and energy transfer. In addition, the effect of the inlet steam flow rate gas was investigated by comparing the tube centerline temperatures, the conclusion being that, as the inlet steam mass flow rate increased, the length required for complete condensation also increased. Comparison of tube centerline temperature profiles was also used to examine the effect of inlet pressure on the heat transfer performance. From this assessment, it was determined that as the inlet pressure increased, the length required for complete condensation decreased. The investigation of tube bundle effects was conducted by comparing the condensate flow rates. The experimental results showed that the upper tubes in the bundle had better heat transfer performance than the lower tubes. In regard to modeling of the heat exchanger in this study, for the primary side, an empirical correlation was developed herein to provide Nusselt numbers for condensation heat transfer in horizontal tubes with noncondensable gases. Nusselt numbers were correlated as: Nu = 106.31·Re m0.147·W a-0.843. The empirical model for condensation heat transfer coefficients and the secondary-side model were integrated within a Matlab program to provide an analysis tool for horizontal tube bundle condenser heat exchangers. Also on the secondary side, two phase heat transfer coefficients were modeled considering both convective boiling and nucleate boiling as: hTP = 10.03·exp(-2.28·alpha)· hCV + 0.076·exp[3.73x10-6·(Re f-1.6x105)]·hNB.

Optimization of the Heat Exchangers of a Thermoelectric Generation System

NASA Astrophysics Data System (ADS)

Martínez, A.; Vián, J. G.; Astrain, D.; Rodríguez, A.; Berrio, I.

2010-09-01

The thermal resistances of the heat exchangers have a strong influence on the electric power produced by a thermoelectric generator. In this work, the heat exchangers of a thermoelectric generator have been optimized in order to maximize the electric power generated. This thermoelectric generator harnesses heat from the exhaust gas of a domestic gas boiler. Statistical design of experiments was used to assess the influence of five factors on both the electric power generated and the pressure drop in the chimney: height of the generator, number of modules per meter of generator height, length of the fins of the hot-side heat exchanger (HSHE), length of the gap between fins of the HSHE, and base thickness of the HSHE. The electric power has been calculated using a computational model, whereas Fluent computational fluid dynamics (CFD) has been used to obtain the thermal resistances of the heat exchangers and the pressure drop. Finally, the thermoelectric generator has been optimized, taking into account the restrictions on the pressure drop.

Improved correlation corrections to the local-spin-density approximation

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

Painter, G.S.

1981-10-15

The accurate correlation energies for the para- and ferromagnetic states of the electron liquid calculated by Ceperley and Alder were recently used by Vosko, Wilk, and Nusair to produce a new correlation-energy density of increased accuracy and proper limiting behavior in the metallic density regime (r/sub s/< or =6). In the present work, the correlation potential in the local-spin-density approximation (LSDA) is derived from the correlation-energy-density representation of Vosko et al. Characteristics of the new exchange-correlation model are compared with those of the LSDA model of Gunnarsson and Lundqvist. Specific comparison is made between these models and exact results inmore » the treatment of atomic and molecular hydrogen. Since the new treatment of correlation primarily affects the region of small r/sub s/, which is exchange dominated, correlation corrections are small compared with errors in the exchange energy. Thus, in light atoms the improved correlation model leads to a reduced cancellation of error between exchange and correlation energies, emphasizing the necessity for improved exchange treatment. For more homogeneous systems, the model should offer real improvement. The present results obtained with precise treatment of correlation within the prescription of Vosko et al. serve to define the present limitations of the LSDA and indicate the importance of nonlocal corrections, particularly for atoms.« less

Synthesis and SMM behaviour of trinuclear versus dinuclear 3d-5f uranyl(v)-cobalt(ii) cation-cation complexes.

PubMed

Chatelain, Lucile; Tuna, Floriana; Pécaut, Jacques; Mazzanti, Marinella

2017-05-02

Trinuclear versus dinuclear heterodimetallic U V O 2 + Co 2+ complexes were selectively assembled via a cation-cation interaction by tuning the ligand. The trimeric complex 2, with a linear [Co-O[double bond, length as m-dash]U[double bond, length as m-dash]O-Co] core, exhibits magnetic exchange and slow relaxation with a reversal barrier of 30.5 ± 0.9 K providing the first example of a U-Co exchange-coupled SMM.

5 CFR 370.104 - Length of details.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Length of details. 370.104 Section 370.104 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE REGULATIONS INFORMATION TECHNOLOGY EXCHANGE PROGRAM § 370.104 Length of details. (a) Details may be for a period of between 3 months...

Estimation of stature from sternal lengths. A correlation meta-analysis.

PubMed

Yammine, Kaissar; Assi, Chahine

2017-01-01

Methods based on the positive linear relationship existing between stature and long bones are most commonly used to estimate living stature in forensic anthropology. The length of the sternum and its parts has been advanced as a plausible alternative to estimate stature when such long bones are missing or damaged. This meta-analysis aims to quantify evidence on the correlation between the sternum/sternal parts length and stature. Nine studies were included with 1118 sternal bones. Analyses showed that the length of the meso-sternum (manubrium + body) yielded the best correlation with stature; 53.5% and 55.42% for men and women, respectively. The second best variable is the total sternal length with correlations of 44.3% and 55% for men and women, respectively. Subgroup analysis of autopsy studies demonstrated even a higher correlation of 58.2% for the meso-sternal length. Manubrium and body lengths showed the least correlation values. Except for the body length, females exhibit a better correlation than man between all other sternal lengths and stature. While the meso-sternal length is found to be the most correlated variable with stature, all sternal lengths are to be considered with caution when estimating stature. The relatively low values of the weighted correlation results should raise the question of reliability and limit the use of sternal length when long bones are available. Future research using larger samples from different populations and taking into account the fusion status of the sternum are needed.

Dynamic relationship between Japanese Yen exchange rates and market anxiety: A new perspective based on MF-DCCA

NASA Astrophysics Data System (ADS)

Lu, Xinsheng; Sun, Xinxin; Ge, Jintian

2017-05-01

This paper investigates the dynamic relationship between Japanese Yen exchange rates and market anxiety during the period from January 5, 1998 to April 18, 2016. A quantitative technique of multifractal detrended cross-correlation analysis (MF-DCCA) is used to explore the multifractal features of the cross-correlations between USD/JPY, AUD/JPY exchange rates and the market anxiety gauge VIX. The investigation shows that the causal relationship between Japanese Yen exchange rates and VIX are bidirectional in general, and the cross-correlations between the two sets of time series are multifractal. Strong evidence suggests that the cross-correlation exponents tend to exhibit different volatility patterns in response to diverse external shocks such as financial distress and widening in interest rate spread, suggesting that the cross-correlated behavior between Japanese Yen exchange rates and VIX are susceptible to economic uncertainties and risks. In addition, the performances of two market anxiety gauges, the VIX and the TED spread, are compared and the sources of multifractality are also traced. Thus, this paper contributes to the literature by shedding light on the unique driving forces of the Yen exchange rate fluctuations in the international foreign exchange market.

Modeling of Ceiling Fire Spread and Thermal Radiation.

DTIC Science & Technology

1981-10-01

under a PMMA ceiling and flame lengths under an inert ceiling are found to be in reasonable agreement with full-scale behavior. Although fire spread...5 3 Flame Lengths under Full-Scale Ceilings 12 4 Correlation of Flame Length under Inert Ceilings 16 5 Correlation of Flame Length under No 234 Model...Ceilings 17 6 Correlation of Flame Length under No B8811 Model Ceilings 18 7 Correlation of Flame Length under No. 223 Model Ceilings 19 8

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

Sai K. Mylavarapu; Xiaodong Sun; Richard E. Glosup

In high-temperature gas-cooled reactors, such as a very high temperature reactor (VHTR), an intermediate heat exchanger (IHX) is required to efficiently transfer the core thermal output to a secondary fluid for electricity generation with an indirect power cycle and/or process heat applications. Currently, there is no proven high-temperature (750–800 °C or higher) compact heat exchanger technology for high-temperature reactor design concepts. In this study, printed circuit heat exchanger (PCHE), a potential IHX concept for high-temperature applications, has been investigated for their heat transfer and pressure drop characteristics under high operating temperatures and pressures. Two PCHEs, each having 10 hot andmore » 10 cold plates with 12 channels (semicircular cross-section) in each plate are fabricated using Alloy 617 plates and tested for their performance in a high-temperature helium test facility (HTHF). The PCHE inlet temperature and pressure were varied from 85 to 390 °C/1.0–2.7 MPa for the cold side and 208–790 °C/1.0–2.7 MPa for the hot side, respectively, while the mass flow rate of helium was varied from 15 to 49 kg/h. This range of mass flow rates corresponds to PCHE channel Reynolds numbers of 950 to 4100 for the cold side and 900 to 3900 for the hot side (corresponding to the laminar and laminar-to-turbulent transition flow regimes). The obtained experimental data have been analyzed for the pressure drop and heat transfer characteristics of the heat transfer surface of the PCHEs and compared with the available models and correlations in the literature. In addition, a numerical treatment of hydrodynamically developing and hydrodynamically fully-developed laminar flow through a semicircular duct is presented. Relations developed for determining the hydrodynamic entrance length in a semicircular duct and the friction factor (or pressure drop) in the hydrodynamic entry length region for laminar flow through a semicircular duct are given. Various hydrodynamic entrance region parameters, such as incremental pressure drop number, apparent Fanning friction factor, and hydrodynamic entrance length in a semicircular duct have been numerically estimated.« less

Reconsideration of data and correlations for plate finned-tube heat exchangers

NASA Astrophysics Data System (ADS)

Otović, Milena; Mihailović, Miloš; Genić, Srbislav; Jaćimović, Branislav; Milovančević, Uroš; Marković, Saša

2018-04-01

This paper deals with heat exchangers having plain finned tubes in staggered (triangular) pattern. The objective of this paper is to provide the heat transfer and friction factor correlation which can be used in engineering practice. For this purpose, the experimental data of several (most cited) authors who deal with this type of heat exchangers are used. The new correlations are established to predict the air-side heat transfer coefficient and friction factor as a function of the Reynolds number and geometric variables of the heat exchanger - tube diameter, tube pitch, fin spacing, tube rows, etc. In those correlations the characteristic dimension in Reynolds number is calculated by using the new parameter - volumetric porosity. Also, there are given the errors of those correlations.

Dynamics of Charged Species in Ionic-Neutral Block Copolymer and Surfactant Complexes [Structural Relaxation and Dynamics of Ionic-Neutral Block Copolymer Surfactant Complexes

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

Borreguero, Jose M.; Pincus, Philip A.; Sumpter, Bobby G.

Structure–property relationships of ionic block copolymer (BCP) surfactant complexes are critical toward the progress of favorable engineering design of efficient charge-transport materials. In this paper, molecular dynamics simulations are used to understand the dynamics of charged-neutral BCP and surfactant complexes. The dynamics are examined for two different systems: charged-neutral double-hydrophilic and hydrophobic–hydrophilic block copolymers with oppositely charged surfactant moieties. The dynamics of the surfactant head, tails, and charges are studied for five different BCP volume fractions. We observe that the dynamics of the different species solely depend on the balance between electrostatic and entropic interactions between the charged species andmore » the neutral monomers. The favorable hydrophobic–hydrophobic interactions and the unfavorable hydrophobic–hydrophilic interactions determine the mobilities of the monomers. The dynamical properties of the charge species influence complex formation. Structural relaxations exhibit length-scale dependent behavior, with slower relaxation at the radius of gyration length-scale and faster relaxation at the segmental length-scale, consistent with previous results. The dynamical analysis correlates ion-exchange kinetics to the self-assembly behavior of the complexes.« less

The role of telomere dynamics in aging and cancer

NASA Astrophysics Data System (ADS)

Blagoev, Krastan; Goodwin, Edwin

2006-03-01

Telomere length changes are far more dynamic than previously thought. In addition to a gradual loss of ˜100 base pairs per telomere in each cell division, losses as well as gains may occur within a single cell cycle. We are investigating how telomere exchange, extension, and deletion affect the proliferative potential of telomerase-negative somatic cells. Experimental techniques are being devised to detect dynamic telomere processes and quantify both the frequency and length changes of each. In parallel, a ``dynamic telomere model'' is being used that incorporates telomere dynamics to study how the telomere size distribution evolves with time. This is an essential step towards understanding the role that telomere dynamics play in the normal aging of tissues and organisms. The model casts light on relationships not otherwise easily explained by a deterministic ``mitotic clock,'' or to what extent the shortest initial telomere determines the onset of senescence. We also expect to identify biomarkers that will correlate with aging better than average telomere length and to shed light on the transition to unlimited growth found in telomerase-negative tumor cells having the ALT (alternative lengthening of telomeres) phenotype, and to evaluate strategies to suppress the growth of these tumors.

Dynamics of Charged Species in Ionic-Neutral Block Copolymer and Surfactant Complexes [Structural Relaxation and Dynamics of Ionic-Neutral Block Copolymer Surfactant Complexes

DOE PAGES

Borreguero, Jose M.; Pincus, Philip A.; Sumpter, Bobby G.; ...

2017-06-21

Structure–property relationships of ionic block copolymer (BCP) surfactant complexes are critical toward the progress of favorable engineering design of efficient charge-transport materials. In this paper, molecular dynamics simulations are used to understand the dynamics of charged-neutral BCP and surfactant complexes. The dynamics are examined for two different systems: charged-neutral double-hydrophilic and hydrophobic–hydrophilic block copolymers with oppositely charged surfactant moieties. The dynamics of the surfactant head, tails, and charges are studied for five different BCP volume fractions. We observe that the dynamics of the different species solely depend on the balance between electrostatic and entropic interactions between the charged species andmore » the neutral monomers. The favorable hydrophobic–hydrophobic interactions and the unfavorable hydrophobic–hydrophilic interactions determine the mobilities of the monomers. The dynamical properties of the charge species influence complex formation. Structural relaxations exhibit length-scale dependent behavior, with slower relaxation at the radius of gyration length-scale and faster relaxation at the segmental length-scale, consistent with previous results. The dynamical analysis correlates ion-exchange kinetics to the self-assembly behavior of the complexes.« less

Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes

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

Peng, Bo; Govind, Niranjan; Aprà, Edoardo

In this paper we apply equation-of-motion coupled cluster (EOMCC) methods in studies of vertical ionization potentials (IP) and electron affinities (EA) for sin- gled walled carbon nanotubes. EOMCC formulations for ionization potentials and electron affinities employing excitation manifolds spanned by single and double ex- citations (IP/EA-EOMCCSD) are used to study IPs and EAs of nanotubes as a function of nanotube length. Several armchair nanotubes corresponding to C20nH20 models with n = 2 - 6 have been used in benchmark calculations. In agreement with previous studies, we demonstrate that the electronegativity of C20nH20 systems remains, to a large extent, independent ofmore » nanotube length. We also compare IP/EA- EOMCCSD results with those obtained with the coupled cluster models with single and double excitations corrected by perturbative triples, CCSD(T), and density func- tional theory (DFT) using global and range-separated hybrid exchange-correlation functionals.« less

Modeling development and quantitative trait mapping reveal independent genetic modules for leaf size and shape.

PubMed

Baker, Robert L; Leong, Wen Fung; Brock, Marcus T; Markelz, R J Cody; Covington, Michael F; Devisetty, Upendra K; Edwards, Christine E; Maloof, Julin; Welch, Stephen; Weinig, Cynthia

2015-10-01

Improved predictions of fitness and yield may be obtained by characterizing the genetic controls and environmental dependencies of organismal ontogeny. Elucidating the shape of growth curves may reveal novel genetic controls that single-time-point (STP) analyses do not because, in theory, infinite numbers of growth curves can result in the same final measurement. We measured leaf lengths and widths in Brassica rapa recombinant inbred lines (RILs) throughout ontogeny. We modeled leaf growth and allometry as function valued traits (FVT), and examined genetic correlations between these traits and aspects of phenology, physiology, circadian rhythms and fitness. We used RNA-seq to construct a SNP linkage map and mapped trait quantitative trait loci (QTL). We found genetic trade-offs between leaf size and growth rate FVT and uncovered differences in genotypic and QTL correlations involving FVT vs STPs. We identified leaf shape (allometry) as a genetic module independent of length and width and identified selection on FVT parameters of development. Leaf shape is associated with venation features that affect desiccation resistance. The genetic independence of leaf shape from other leaf traits may therefore enable crop optimization in leaf shape without negative effects on traits such as size, growth rate, duration or gas exchange. © 2015 The Authors. New Phytologist © 2015 New Phytologist Trust.

Random anisotropy model approach on ion beam sputtered Co 20Cu 80 granular alloy

NASA Astrophysics Data System (ADS)

Errahmani, H.; Hassanaı̈n, N.; Berrada, A.; Abid, M.; Lassri, H.; Schmerber, G.; Dinia, A.

2002-03-01

The Co 20Cu 80 granular film has been elaborated using ion beam sputtering technique. The magnetic properties of the sample were studied in the temperature range 5-300 K at H⩽50 kOe. From the thermomagnetisation curve, which is found to obey to the Bloch law, we have extracted the spin wave stiffness constant D and the exchange constant A. The magnetic experimental results have been interpreted in the framework of random anisotropy model. We have determined the local anisotropy constant KL and the local correlation length of anisotropy axis Ra, which is compared to the experimental grains size obtained by transmission electronic microscopy.

Effect of exchange correlation potential on dispersion properties of lower hybrid wave in degenerate plasma

NASA Astrophysics Data System (ADS)

Rimza, Tripti; Sharma, Prerana

2017-05-01

The dispersion properties of lower hybrid wave are studied in electron-iondegenerate plasma with exchange effect in non-relativistic regime. It is found that the combined effect of Bohm potential and exchange correlation potential significantly modifies the dispersion properties of lower hybrid wave. The graphical results explicitly show the influence of degeneracy pressure, Bohm force and exchange correlation potential on the frequency of the lower hybrid mode. Present work should be of relevance for the dense astrophysical environments like white dwarfs and for laboratory experiments.

Exergy optimization in a steady moving bed heat exchanger.

PubMed

Soria-Verdugo, A; Almendros-Ibáñez, J A; Ruiz-Rivas, U; Santana, D

2009-04-01

This work provides an energy and exergy optimization analysis of a moving bed heat exchanger (MBHE). The exchanger is studied as a cross-flow heat exchanger where one of the phases is a moving granular medium. The optimal MBHE dimensions and the optimal particle diameter are obtained for a range of incoming fluid flow rates. The analyses are carried out over operation data of the exchanger obtained in two ways: a numerical simulation of the steady-state problem and an analytical solution of the simplified equations, neglecting the conduction terms. The numerical simulation considers, for the solid, the convection heat transfer to the fluid and the diffusion term in both directions, and for the fluid only the convection heat transfer to the solid. The results are compared with a well-known analytical solution (neglecting conduction effects) for the temperature distribution in the exchanger. Next, the analytical solution is used to derive an expression for the exergy destruction. The optimal length of the MBHE depends mainly on the flow rate and does not depend on particle diameter unless they become very small (thus increasing sharply the pressure drop). The exergy optimal length is always smaller than the thermal one, although the difference is itself small.

Do foreign exchange and equity markets co-move in Latin American region? Detrended cross-correlation approach

NASA Astrophysics Data System (ADS)

Bashir, Usman; Yu, Yugang; Hussain, Muntazir; Zebende, Gilney F.

2016-11-01

This paper investigates the dynamics of the relationship between foreign exchange markets and stock markets through time varying co-movements. In this sense, we analyzed the time series monthly of Latin American countries for the period from 1991 to 2015. Furthermore, we apply Granger causality to verify the direction of causality between foreign exchange and stock market and detrended cross-correlation approach (ρDCCA) for any co-movements at different time scales. Our empirical results suggest a positive cross correlation between exchange rate and stock price for all Latin American countries. The findings reveal two clear patterns of correlation. First, Brazil and Argentina have positive correlation in both short and long time frames. Second, the remaining countries are negatively correlated in shorter time scale, gradually moving to positive. This paper contributes to the field in three ways. First, we verified the co-movements of exchange rate and stock prices that were rarely discussed in previous empirical studies. Second, ρDCCA coefficient is a robust and powerful methodology to measure the cross correlation when dealing with non stationarity of time series. Third, most of the studies employed one or two time scales using co-integration and vector autoregressive approaches. Not much is known about the co-movements at varying time scales between foreign exchange and stock markets. ρDCCA coefficient facilitates the understanding of its explanatory depth.

Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction corrections.

PubMed

Arbuznikov, Alexei V; Kaupp, Martin

2012-01-07

Local hybrid functionals with their position-dependent exact-exchange admixture are a conceptually simple and promising extension of the concept of a hybrid functional. Local hybrids based on a simple mixing of the local spin density approximation (LSDA) with exact exchange have been shown to be successful for thermochemistry, reaction barriers, and a range of other properties. So far, the combination of this generation of local hybrids with an LSDA correlation functional has been found to give the most favorable results for atomization energies, for a range of local mixing functions (LMFs) governing the exact-exchange admixture. Here, we show that the choice of correlation functional to be used with local hybrid exchange crucially influences the parameterization also of the exchange part as well as the overall performance. A novel ansatz for the correlation part of local hybrids is suggested based on (i) range-separation of LSDA correlation into short-range (SR) and long-range (LR) parts, and (ii) partial or full elimination of the one-electron self-correlation from the SR part. It is shown that such modified correlation functionals allow overall larger exact exchange admixture in thermochemically competitive local hybrids than before. This results in improvements for reaction barriers and for other properties crucially influenced by self-interaction errors, as demonstrated by a number of examples. Based on the range-separation approach, a fresh view on the breakdown of the correlation energy into dynamical and non-dynamical parts is suggested.

Finite length Taylor Couette flow

NASA Technical Reports Server (NTRS)

Streett, C. L.; Hussaini, M. Y.

1987-01-01

Axisymmetric numerical solutions of the unsteady Navier-Stokes equations for flow between concentric rotating cylinders of finite length are obtained by a spectral collocation method. These representative results pertain to two-cell/one-cell exchange process, and are compared with recent experiments.

Unit and internal chain profile of African rice (Oryza glaberrima) amylopectin.

PubMed

Gayin, Joseph; Abdel-Aal, El-Sayed M; Manful, John; Bertoft, Eric

2016-02-10

High-performance anion-exchange chromatography was used to study the unit chain profiles of amylopectins and their φ,β-limit dextrins from two African rice (Oryza glaberrima) accessions-TOG 12440 and IRGC 103759. The samples were compared with two Asian rice (Oryza sativa) samples (cv Koshihikari and cv WITA 4) and one O. sativa × O. glaberrima cross (NERICA 4). The ratio of short:long chains ranged between 12.1 and 13.8, and the ratio of A:B-chains was ∼ 1.0 in all samples. A significant difference was observed in the distribution of internal chains with regards to the proportion of short "fingerprint" B-chains (Bfp-chains), which in the φ,β-limit dextrins have a degree of polymerization (DP) 3-7. The African rice starches and NERICA 4 had higher levels of Bfp-chains, but the major group of short B-chains (DP 8-25) was similar to that of the Asian rice samples. The average chain length (CL), internal chain length (ICL), and total internal chain length (TICL) were similar in all samples. However, the external chain length (ECL) was longer in the African rice samples and NERICA 4. ECL correlated positively and significantly (p<0.05) with gelatinization transition temperatures and enthalpy suggesting differences between the two rice types in cooking properties. Copyright © 2015 Elsevier Ltd. All rights reserved.

Jeans instability with exchange effects in quantum dusty magnetoplasmas

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

Jamil, M., E-mail: jamil.gcu@gmail.com; Rasheed, A.; Rozina, Ch.

2015-08-15

Jeans instability is examined in magnetized quantum dusty plasmas using the quantum hydrodynamic model. The quantum effects are considered via exchange-correlation potential, recoil effect, and Fermi degenerate pressure, in addition to thermal effects of plasma species. It is found that the electron exchange and correlation potential have significant effects over the threshold value of wave vector and Jeans instability. The presence of electron exchange and correlation effect shortens the time of dust sound that comparatively stabilizes the self gravitational collapse. The results at quantum scale are helpful in understanding the collapse of the self-gravitating dusty plasma systems.

The Effectiveness of the Picture Exchange Communication System (PECS) for Children with Autism Spectrum Disorder (ASD): A South African Pilot Study

ERIC Educational Resources Information Center

Travis, Julia; Geiger, Martha

2010-01-01

This study investigated the effects of introducing the Picture Exchange Communication System (PECS) on the frequency of requesting and commenting and the length of verbal utterances of two children with autism spectrum disorder (ASD) who presented with some spoken language, but limited use of language in communicative exchanges. A mixed research…

Abnormally banded chromosomal regions in doxorubicin-resistant B16-BL6 murine melanoma cells.

PubMed

Slovak, M L; Hoeltge, G A; Ganapathi, R

1986-08-01

B16-BL6 murine melanoma cells were selected for cytogenetic evaluation during the stepwise development of increasing resistance in vitro to the antitumor antibiotic, doxorubicin (DOX). Karyotypic studies demonstrated extensive heteroploidy with both numerical and structural abnormalities which were not present in the parental DOX-sensitive B16-BL6 cells. Trypsin-Giemsa banding revealed the presence of several marker chromosomes containing abnormally banding regions (ABRs) in the 44-fold B16-BL6 DOX-resistant subline. These ABRs appeared to be more homogeneously staining at the higher DOX concentrations. Length measurements (ABR index) in seven banded metaphases indicated a direct correlation with increasing DOX concentration. When the DOX-resistant cells were grown in drug-free medium for 1 yr, the drug-resistant phenotype gradually declined in parallel with the level of resistance and the ABR index. DOX-induced cytogenetic damage examined by sister chromatid exchange methodology in parental B16-BL6 cells indicated a linear sister chromatid exchange:DOX dose-response relationship. However, after continuous treatment of parental B16-BL6 cells with DOX (0.01 microgram/ml) for 30 days, sister chromatid exchange scores were found to return to base-line values. The B16-BL6 resistant cells demonstrated a cross-resistant phenotype with N-trifluoroacetyladriamycin-14-valerate, actinomycin D, and the Vinca alkaloids but not with 1-beta-D-arabinofuranosylcytosine. The results suggest that ABR-containing chromosomes in DOX-resistant sublines may represent cytogenetic alterations of specific amplified genes involved in the expression of DOX resistance. Further studies are required to identify and define the possible gene products and to correlate their relationship to the cytotoxic action of doxorubicin.

Verification of Anderson Superexchange in MnO via Magnetic Pair Distribution Function Analysis and ab initio Theory.

PubMed

Frandsen, Benjamin A; Brunelli, Michela; Page, Katharine; Uemura, Yasutomo J; Staunton, Julie B; Billinge, Simon J L

2016-05-13

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.

Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory

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

Benjamin A. Frandsen; Brunelli, Michela; Page, Katharine

Here, 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 dominatedmore » 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. Furthermore, the Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.« less

Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory

DOE PAGES

Benjamin A. Frandsen; Brunelli, Michela; Page, Katharine; ...

2016-05-11

Here, 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 dominatedmore » 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. Furthermore, the Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.« less

Ab initio density-functional calculations in materials science: from quasicrystals over microporous catalysts to spintronics.

PubMed

Hafner, Jürgen

2010-09-29

During the last 20 years computer simulations based on a quantum-mechanical description of the interactions between electrons and atomic nuclei have developed an increasingly important impact on materials science, not only in promoting a deeper understanding of the fundamental physical phenomena, but also enabling the computer-assisted design of materials for future technologies. The backbone of atomic-scale computational materials science is density-functional theory (DFT) which allows us to cast the intractable complexity of electron-electron interactions into the form of an effective single-particle equation determined by the exchange-correlation functional. Progress in DFT-based calculations of the properties of materials and of simulations of processes in materials depends on: (1) the development of improved exchange-correlation functionals and advanced post-DFT methods and their implementation in highly efficient computer codes, (2) the development of methods allowing us to bridge the gaps in the temperature, pressure, time and length scales between the ab initio calculations and real-world experiments and (3) the extension of the functionality of these codes, permitting us to treat additional properties and new processes. In this paper we discuss the current status of techniques for performing quantum-based simulations on materials and present some illustrative examples of applications to complex quasiperiodic alloys, cluster-support interactions in microporous acid catalysts and magnetic nanostructures.

[Geographic variation of seed morphological traits of Picea schrenkiana var. tianschanica in Tianshan Mountains, Xinjiang of Northwest China].

PubMed

Liu, Gui-Feng; Zang, Run-Guo; Liu, Hua; Bai, Zhi-Qiang; Guo, Zhong-Jun; Ding, Yi

2012-06-01

Taking the Picea schrenkiana var. tianschanica forests at three sites with different longitudes (Zhaosu, Tianchi, and Qitai) in Tianshan Mountains as the objects, the cones were collected along an altitudinal gradient to analyze the variation of their seed morphological traits (seed scale length and width, seed scale length/width ratio, seed wing length and width, seed wing length/ width ratio, seed length and width, and seed length/width ratio). All the seed traits except seed width tended to decrease with increasing altitude. The seed traits except seed wing width, seed width, and seed length/width ratio all had significant negative correlations with altitude. Seed scale length and width and seed scale length/width ratio had significant positive correlations with longitude. Seed scale length, seed scale length/width ratio, and seed wing length/width ratio had significant negative correlations with slope degree. No significant correlations were observed between the seed traits except seed wing width and the slope aspect. Altitude was the main factor affecting the seed scale length, seed scale length/width ratio, and seed wing length/width ratio.

Sonographic Measurement of Fetal Ear Length in Turkish Women with a Normal Pregnancy

PubMed Central

Özdemir, Mucize Eriç; Uzun, Işıl; Karahasanoğlu, Ayşe; Aygün, Mehmet; Akın, Hale; Yazıcıoğlu, Fehmi

2014-01-01

Background: Abnormal fetal ear length is a feature of chromosomal disorders. Fetal ear length measurement is a simple measurement that can be obtained during ultrasonographic examinations. Aims: To develop a nomogram for fetal ear length measurements in our population and investigate the correlation between fetal ear length, gestational age, and other standard fetal biometric measurements. Study Design: Cohort study. Methods: Ear lengths of the fetuses were measured in normal singleton pregnancies. The relationship between gestational age and fetal ear length in millimetres was analysed by simple linear regression. In addition, the correlation of fetal ear length measurements with biparietal diameter, head circumference, abdominal circumference, and femur length were evaluated.Ear length measurements were obtained from fetuses in 389 normal singleton pregnancies ranging between 16 and 28 weeks of gestation. Results: A nomogram was developed by linear regression analysis of the parameters ear length and gestational age. Fetal ear length (mm) = y = (1.348 X gestational age)−12.265), where gestational ages is in weeks. A high correlation was found between fetal ear length and gestational age, and a significant correlation was also found between fetal ear length and the biparietal diameter (r=0.962; p<0.001). Similar correlations were found between fetal ear length and head circumference, and fetal ear length and femur length. Conclusion: The results of this study provide a nomogram for fetal ear length. The study also demonstrates the relationship between ear length and other biometric measurements. PMID:25667783

ATP hydrolysis provides functions that promote rejection of pairings between different copies of long repeated sequences

PubMed Central

Danilowicz, Claudia; Hermans, Laura; Coljee, Vincent; Prévost, Chantal

2017-01-01

Abstract During DNA recombination and repair, RecA family proteins must promote rapid joining of homologous DNA. Repeated sequences with >100 base pair lengths occupy more than 1% of bacterial genomes; however, commitment to strand exchange was believed to occur after testing ∼20–30 bp. If that were true, pairings between different copies of long repeated sequences would usually become irreversible. Our experiments reveal that in the presence of ATP hydrolysis even 75 bp sequence-matched strand exchange products remain quite reversible. Experiments also indicate that when ATP hydrolysis is present, flanking heterologous dsDNA regions increase the reversibility of sequence matched strand exchange products with lengths up to ∼75 bp. Results of molecular dynamics simulations provide insight into how ATP hydrolysis destabilizes strand exchange products. These results inspired a model that shows how pairings between long repeated sequences could be efficiently rejected even though most homologous pairings form irreversible products. PMID:28854739

Correlations of leaf area with length and width measurements of leaves of black oak, white oak, and sugar maple

Treesearch

Philip M. Wargo

1978-01-01

Correlations of leaf area with length, width, and length times width of leaves of black oak, white oak, and sugar maple were determined to see if length and/or width could be used as accurate estimators of leaf area. The correlation of length times width with leaf area was high (r > + .95) for all three species. The linear equation Y = a + bX, where X = length times...

Experimental studies on coherent synchrotron radiation at an emittance exchange beam line

NASA Astrophysics Data System (ADS)

Thangaraj, J. C. T.; Thurman-Keup, R.; Ruan, J.; Johnson, A. S.; Lumpkin, A. H.; Santucci, J.

2012-11-01

One of the goals of the Fermilab A0 photoinjector is to investigate experimentally the transverse to longitudinal emittance exchange (EEX) principle. Coherent synchrotron radiation in the emittance exchange line could limit the performance of the emittance exchanger at short bunch lengths. In this paper, we present experimental and simulation studies of the coherent synchrotron radiation (CSR) in the emittance exchange line at the A0 photoinjector. We report on time-resolved CSR studies using a skew-quadrupole technique. We also demonstrate the advantages of running the EEX with an energy-chirped beam.

Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions.

PubMed

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-07

The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions

NASA Astrophysics Data System (ADS)

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-01

The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

Quantifying NMR relaxation correlation and exchange in articular cartilage with time domain analysis

NASA Astrophysics Data System (ADS)

Mailhiot, Sarah E.; Zong, Fangrong; Maneval, James E.; June, Ronald K.; Galvosas, Petrik; Seymour, Joseph D.

2018-02-01

Measured nuclear magnetic resonance (NMR) transverse relaxation data in articular cartilage has been shown to be multi-exponential and correlated to the health of the tissue. The observed relaxation rates are dependent on experimental parameters such as solvent, data acquisition methods, data analysis methods, and alignment to the magnetic field. In this study, we show that diffusive exchange occurs in porcine articular cartilage and impacts the observed relaxation rates in T1-T2 correlation experiments. By using time domain analysis of T2-T2 exchange spectroscopy, the diffusive exchange time can be quantified by measurements that use a single mixing time. Measured characteristic times for exchange are commensurate with T1 in this material and so impacts the observed T1 behavior. The approach used here allows for reliable quantification of NMR relaxation behavior in cartilage in the presence of diffusive fluid exchange between two environments.

Systemic AA amyloidosis in the red fox (Vulpes vulpes).

PubMed

Rising, Anna; Cederlund, Ella; Palmberg, Carina; Uhlhorn, Henrik; Gaunitz, Stefan; Nordling, Kerstin; Ågren, Erik; Ihse, Elisabet; Westermark, Gunilla T; Tjernberg, Lars; Jörnvall, Hans; Johansson, Jan; Westermark, Per

2017-11-01

Amyloid A (AA) amyloidosis occurs spontaneously in many mammals and birds, but the prevalence varies considerably among different species, and even among subgroups of the same species. The Blue fox and the Gray fox seem to be resistant to the development of AA amyloidosis, while Island foxes have a high prevalence of the disease. Herein, we report on the identification of AA amyloidosis in the Red fox (Vulpes vulpes). Edman degradation and tandem MS analysis of proteolyzed amyloid protein revealed that the amyloid partly was composed of full-length SAA. Its amino acid sequence was determined and found to consist of 111 amino acid residues. Based on inter-species sequence comparisons we found four residue exchanges (Ser31, Lys63, Leu71, Lys72) between the Red and Blue fox SAAs. Lys63 seems unique to the Red fox SAA. We found no obvious explanation to how these exchanges might correlate with the reported differences in SAA amyloidogenicity. Furthermore, in contrast to fibrils from many other mammalian species, the isolated amyloid fibrils from Red fox did not seed AA amyloidosis in a mouse model. © 2017 The Protein Society.

Magnetic correlations in La(2-x)Sr(x)CuO4 from NQR relaxation and specific heat

NASA Technical Reports Server (NTRS)

Borsa, F.; Rigamonti, A.

1990-01-01

La-139 and Cu-63 Nuclear Quadrupole Resonance (NQR) relaxation measurements in La(2-x)Sr(x)CuO4 for O = to or less than 0.3 and in the temperature range 1.6 + 450 K are analyzed in terms of Cu(++) magnetic correlations and dynamics. It is described how the magnetic correlations that would result from Cu-Cu exchange are reduced by mobile charge defects related to x-doping. A comprehensive picture is given which explains satisfactorily the x and T dependence of the correlation time, of the correlation length and of the Neel temperature T(sub n)(x) as well as being consistent with known electrical resistivity and magnetic susceptibility measurements. It is discussed how, in the superconducting samples, the mobile defects also cause the decrease, for T yields T(sub c)(+) of the hyperfine Cu electron-nucleus effective interaction, leading to the coexistence of quasi-localized, reduced magnetic moments from 3d Cu electrons and mobile oxygen p-hole carriers. The temperature dependence of the effective hyperfine field around the superconducting transition yields an activation energy which could be related to the pairing energy. New specific heat measurements are also presented and discussed in terms of the above picture.

Density-to-Potential Inversions to Guide Development of Exchange-Correlation Approximations at Finite Temperature

NASA Astrophysics Data System (ADS)

Jensen, Daniel; Wasserman, Adam; Baczewski, Andrew

The construction of approximations to the exchange-correlation potential for warm dense matter (WDM) is a topic of significant recent interest. In this work, we study the inverse problem of Kohn-Sham (KS) DFT as a means of guiding functional design at zero temperature and in WDM. Whereas the forward problem solves the KS equations to produce a density from a specified exchange-correlation potential, the inverse problem seeks to construct the exchange-correlation potential from specified densities. These two problems require different computational methods and convergence criteria despite sharing the same mathematical equations. We present two new inversion methods based on constrained variational and PDE-constrained optimization methods. We adapt these methods to finite temperature calculations to reveal the exchange-correlation potential's temperature dependence in WDM-relevant conditions. The different inversion methods presented are applied to both non-interacting and interacting model systems for comparison. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Security Administration under contract DE-AC04-94.

Neutrinoless ββ decay mediated by the exchange of light and heavy neutrinos: the role of nuclear structure correlations

NASA Astrophysics Data System (ADS)

Menéndez, J.

2018-01-01

Neutrinoless β β decay nuclear matrix elements calculated with the shell model and energy-density functional theory typically disagree by more than a factor of two in the standard scenario of light-neutrino exchange. In contrast, for a decay mediated by sterile heavy neutrinos the deviations are reduced to about 50%, an uncertainty similar to the one due to short-range effects. We compare matrix elements in the light- and heavy-neutrino-exchange channels, exploring the radial, momentum transfer and angular momentum-parity matrix element distributions, and considering transitions that involve correlated and uncorrelated nuclear states. We argue that the shorter-range heavy-neutrino exchange is less sensitive to collective nuclear correlations, and that discrepancies in matrix elements are mostly due to the treatment of long-range correlations in many-body calculations. Our analysis supports previous studies suggesting that isoscalar pairing correlations, which affect mostly the longer-range part of the neutrinoless β β decay operator, are partially responsible for the differences between nuclear matrix elements in the standard light-neutrino-exchange mechanism.

Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory.

PubMed

Schweigert, Igor V; Bartlett, Rodney J

2008-09-28

Adding a fraction of the nonlocal exchange operator to the local orbital-dependent exchange potential improves the many-body perturbation expansion based on the Kohn-Sham determinant. The effect of such a hybrid scheme on the performance of the orbital-dependent correlation functional from the second-order perturbation theory (PT2H) is investigated numerically. A small fraction of the nonlocal exchange is often sufficient to ensure the existence of the self-consistent solution for the PT2H potential. In the He and Be atoms, including 37% of the nonlocal exchange leads to the correlation energies and electronic densities that are very close to the exact ones. In molecules, varying the fraction of the nonlocal exchange may result in the PT2H energy closely reproducing the CCSD(T) value; however such a fraction depends on the system and does not always result in an accurate electronic density. We also numerically verify that the "semicanonical" perturbation series includes most of the beneficial effects of the nonlocal exchange without sacrificing the locality of the exchange potential.

Best Stent Length Predicted by Simple CT Measurement Rather than Patient Height.

PubMed

Barrett, Keith; Foell, Kirsten; Lantz, Andrea; Ordon, Michael; Lee, Jason Y; Pace, Kenneth T; Honey, R John D'A

2016-09-01

Ureteral stent length is important, as stents that are too long might worsen symptoms and too short are at higher risk of migration. The purpose of this study was to determine if patient or radiologic parameters correlate with directly measured ureteral length and if directly measured ureteral length predicts proper stent positioning. During stent placement, ureteral length (ureteropelvic junction to ureterovesical junction distance) was directly measured by endoscopically viewing a ureteral catheter (with 1-cm marking) emanating from the ureteral orifice. A 22, 24, or 26 cm stent was chosen to be closest to the measured ureteral length. For ureters >26 cm, a 26 cm stent was chosen. Ends of an "ideally positioned" stent were fully curled in the renal pelvis and bladder, without crossing the bladder midline. Rates of ideal stent position were compared between patients with matching stent and ureteral lengths and those with stent lengths differing by ≥1 cm (mismatched). The measured ureteral length was correlated with patient height, L1-L5 height, and length measured on CT. Fifty-nine ureters from 57 patients were included. Height was reasonably correlated with L1-L5 height (Spearman correlation coefficient [rho] = 0.79), although both were poorly correlated with directly measured ureteral length (rho = 0.18 for height and 0.32 for lumbar height). Ureteral lengths measured on CT correlated well with direct measurement (rho = 0.63 for axial cuts and rho = 0.64 for coronal cuts). Matched stent length was associated with higher rates of ideal stent position than mismatched (100% vs 70.9%, p = 0.006). CT measurements, rather than height, correlate well with measured length and could be used to choose the appropriate stent length. Stents matching directly measured ureteral lengths are associated with high rates of ideal stent position.

Outcome of prosthesis exchange for infected knee arthroplasty: the effect of treatment approach.

PubMed

Jämsen, Esa; Stogiannidis, Ioannis; Malmivaara, Antti; Pajamäki, Jorma; Puolakka, Timo; Konttinen, Yrjö T

2009-02-01

Two-stage revision remains the gold standard in the treatment of infected knee arthroplasty. Lately, good long-term results of direct exchange arthroplasty have been reported. The purpose of this literature review is to compare the clinical outcome achieved with one-stage revision and two-stage revision with different types of spacers. A thorough systematic review of literature was undertaken to idenepsy reports on the treatment alternatives. Papers written in English or including an English abstract, published from 1980 through 2005, and reporting either the success rate in eradication of infection or the clinical status achieved were reviewed. 31 original articles describing the results of 154 one-stage exchange arthoplasties and of 926 two-stage exchange arthoplasties were included. The depth of detail in the description of materials and methods varied markedly, making it impossible to perform a meta-analysis. Instead, a descriptive review of the results is presented. With a follow-up of 12-122 months, the overall success rate in eradication of infection was 73-100% after one-stage revisions and 82-100% after two-stage revisions. Reinfection rates were the lowest in series where articulating cement spacers were used, though the follow-up was relatively short. Studies using articulating spacers reported the highest average postoperative ranges of motion. Otherwise, no correlations were observed between the clinical outcome and the length of follow-up, the type of revision, or the type of spacer. The clinical outcome (knee scores and range of motion) of the one-stage revisions was no different from that of the two-stage revisions. Two-stage exchange is an effective treatment. Mobile spacers may further improve the range of motion. More experience in one-stage revision is required in order to define its role in the management of infected knee arthroplasties.

Seasonal and Inter-Annual Variations in Carbon Dioxide Exchange over an Alpine Grassland in the Eastern Qinghai-Tibetan Plateau.

PubMed

Shang, Lunyu; Zhang, Yu; Lyu, Shihua; Wang, Shaoying

2016-01-01

This work analyzed carbon dioxide exchange and its controlling factors over an alpine grassland on the eastern Qinghai-Tibetan Plateau. The main results show that air temperature and photosynthetically active radiation are two dominant factors controlling daily gross primary production. Soil temperature and soil water content are the main factors controlling ecosystem respiration. Canopy photosynthetic activity is also responsible for the variation of daily ecosystem respiration other than environmental factors. No clear correlation between net ecosystem exchange and environmental factors was observed at daily scale. Temperature sensitive coefficient was observed to increase with larger soil water content. High values of temperature sensitive coefficient occurred during the periods when soil water content was high and grass was active. Annual integrated net ecosystem exchange, gross primary production and ecosystem respiration were -191, 1145 and 954 g C m-2 for 2010, and -250, 975 and 725 g C m-2 for 2011, respectively. Thus, this alpine grassland was a moderate carbon sink in both of the two years. Compared to alpine grasslands on the Qinghai-Tibetan Plateau, this alpine grassland demonstrated a much greater potential for carbon sequestration than others. Annual precipitation is a dominant factor controlling the variation of annual net ecosystem exchange over this grassland. The difference in gross primary production between the two years was not caused by the variation in annual precipitation. Instead, air temperature and the length of growing season had an important impact on annual gross primary production. Variation of annual ecosystem respiration was closely related to annual gross primary production and soil water content during the growing season.

Seasonal and Inter-Annual Variations in Carbon Dioxide Exchange over an Alpine Grassland in the Eastern Qinghai-Tibetan Plateau

PubMed Central

Shang, Lunyu; Zhang, Yu; Lyu, Shihua; Wang, Shaoying

2016-01-01

This work analyzed carbon dioxide exchange and its controlling factors over an alpine grassland on the eastern Qinghai-Tibetan Plateau. The main results show that air temperature and photosynthetically active radiation are two dominant factors controlling daily gross primary production. Soil temperature and soil water content are the main factors controlling ecosystem respiration. Canopy photosynthetic activity is also responsible for the variation of daily ecosystem respiration other than environmental factors. No clear correlation between net ecosystem exchange and environmental factors was observed at daily scale. Temperature sensitive coefficient was observed to increase with larger soil water content. High values of temperature sensitive coefficient occurred during the periods when soil water content was high and grass was active. Annual integrated net ecosystem exchange, gross primary production and ecosystem respiration were -191, 1145 and 954 g C m-2 for 2010, and -250, 975 and 725 g C m-2 for 2011, respectively. Thus, this alpine grassland was a moderate carbon sink in both of the two years. Compared to alpine grasslands on the Qinghai-Tibetan Plateau, this alpine grassland demonstrated a much greater potential for carbon sequestration than others. Annual precipitation is a dominant factor controlling the variation of annual net ecosystem exchange over this grassland. The difference in gross primary production between the two years was not caused by the variation in annual precipitation. Instead, air temperature and the length of growing season had an important impact on annual gross primary production. Variation of annual ecosystem respiration was closely related to annual gross primary production and soil water content during the growing season. PMID:27861616

Multifractal detrended Cross Correlation Analysis of Foreign Exchange and SENSEX fluctuation in Indian perspective

NASA Astrophysics Data System (ADS)

Dutta, Srimonti; Ghosh, Dipak; Chatterjee, Sucharita

2016-12-01

The manuscript studies autocorrelation and cross correlation of SENSEX fluctuations and Forex Exchange Rate in respect to Indian scenario. Multifractal detrended fluctuation analysis (MFDFA) and multifractal detrended cross correlation analysis (MFDXA) were employed to study the correlation between the two series. It was observed that the two series are strongly cross correlated. The change of degree of cross correlation with time was studied and the results are interpreted qualitatively.

Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms.

PubMed

Vyboishchikov, Sergei F

2016-12-05

We report correlation energies, electron densities, and exchange-correlation potentials obtained from configuration interaction and density functional calculations on spherically confined He, Be, Be 2+ , and Ne atoms. The variation of the correlation energy with the confinement radius R c is relatively small for the He, Be 2+ , and Ne systems. Curiously, the Lee-Yang-Parr (LYP) functional works well for weak confinements but fails completely for small R c . However, in the neutral beryllium atom the CI correlation energy increases markedly with decreasing R c . This effect is less pronounced at the density-functional theory level. The LYP functional performs very well for the unconfined Be atom, but fails badly for small R c . The standard exchange-correlation potentials exhibit significant deviation from the "exact" potential obtained by inversion of Kohn-Sham equation. The LYP correlation potential behaves erratically at strong confinements. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Concerted hydrogen atom exchange between three HF molecules

NASA Technical Reports Server (NTRS)

Komornicki, Andrew; Dixon, David A.; Taylor, Peter R.

1992-01-01

We have investigated the termolecular reaction involving concerted hydrogen exchange between three HF molecules, with particular emphasis on the effects of correlation at the various stationary points along the reaction. Using an extended basis, we have located the geometries of the stable hydrogen-bonded trimer, which is of C(sub 3h) symmetry, and the transition state for hydrogen exchange, which is of D(sub 3h) symmetry. The energies of the exchange reation were then evaluated at the correlated level, using a large atomic natural orbital basis and correlating all valence electrons. Several correlation treatments were used, namely, configration interaction with single and double excitations, coupled-pair functional, and coupled-cluster methods. We are thus able to measure the effect of accounting for size-extensivity. Zero-point corrections to the correlated level energetics were determined using analytic second derivative techniques at the SCF level. Our best calculations, which include the effects of connected triple excitations in the coupled-cluster procedure, indicate that the trimer is bound by 9 +/- 1 kcal/mol relative to three separate monomers, in excellent agreement with previous estimates. The barrier to concerted hydrogen exchange is 15 kcal/mol above the trimer, or only 4.7 kcal/mol above three separated monomers. Thus the barrier to hydrogen exchange between HF molecules via this termolecular process is very low.

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.

Triangular Arbitrage as an Interaction in Foreign Exchange Markets

NASA Astrophysics Data System (ADS)

Aiba, Yukihiro; Hatano, Naomichi

Analyzing correlation in financial time series is a topic of considerable interest [1]-[17]. In the foreign exchange market, a correlation among the exchange rates can be generated by a triangular arbitrage transaction. The purpose of this article is to review our recent study [18]-[23] on modeling the interaction generated by the triangular arbitrage.

Determining Correlation and Coherence Lengths in Turbulent Boundary Layer Flight Data

NASA Technical Reports Server (NTRS)

Palumbo, Dan

2012-01-01

Wall pressure data acquired during flight tests at several flight conditions are analysed and the correlation and coherence lengths of the data reported. It is found that the correlation and coherence lengths are influenced by the origin of the structure producing the pressure and the frequency bandwidth over which the analyses are performed. It is shown how the frequency bandwidth biases the correlation length and how the convection of the pressure field might reduce the coherence measured between sensors. A convected form of the cross correlation and cross spectrum is introduced to compensate for the effects of convection. Coherence lengths measured in the streamwise direction appear much longer than expected. Coherent structures detected using the convected cross correlation do not exhibit an exponential coherent power decay.

Numerical and experimental investigation of bi-annulus heat exchanger for different alternative materials

NASA Astrophysics Data System (ADS)

Zeeshan, M.; Duggal, R.; Tated, M. K.; Singh, M.

2018-02-01

Heat exchangers are widely used in various energy-recovery applications. However, for specific applications where metallic tubes are subjected to various drawbacks i.e. cost, weight, corrosion etc. polymer materials are promising alternatives. In present study, various conventional as well as promising alternatives materials are chosen for investigation computationally. Experimentally, bi-annulus heat exchanger configuration is investigated for metallic materials. The simulations carried out conclude that the dimensionless temperature parameter for Cross-linked polypropylethylene (PEX) is greater than other polymers. It increases with increasing axial length of tube. The value for dimensionless temperature is higher for copper which is used as conventional tube material. Among different polymers highest temperature is observed for PEX followed by Low density polypropylene (LDPE), Polypropylene (PP) and Polyvinylidene fluoride (PVDF). For axial length up to 70mm approx. the temperature rises for PEX, LDPE is 28.3% and 26.4% respectively. However, temperature variation is same for PP and PVDF for same axial distance. This temperature variation is increased to 72.4%, 67.2%, 58.62% and 56.89% for PEX, LDPE, PP and PVDF respectively as axial distance variation reaches the end of pipe. The inner annulus temperature for PEX material at 10% length of tube is 28.3% of temperature achieved in copper tube which increases to 72.4% for full length of tube.

The Exchange-Correlation Field Effect over the Magnetoacoustic-Gravitational Instability in Plasmas

NASA Astrophysics Data System (ADS)

Rasheed, A.; Jamil, M.; Jung, Young-Dae; Sahar, A.; Asif, M.

2017-09-01

Jeans instability with magnetosonic perturbations is discussed in quantum dusty magnetoplasmas. The quantum and smaller thermal effects are associated only with electrons. The quantum characteristics include exchange-correlation potential, recoil effect, and Fermi degenerate pressure. The multifluid model of plasmas is used for the analytical study of this problem. The significant contribution of electron exchange is noticed on the threshold value of wave vector and Jeans instability. The presence of electron exchange and correlation effects reduce the time to stabilise the phenomenon of self-gravitational collapse of massive species. The results of Jeans instability by magnetosonic perturbations at quantum scale help to disclose the details of the self-gravitating dusty magnetoplasma systems.

Measurement of the Correlation and Coherence Lengths in Boundary Layer Flight Data

NASA Technical Reports Server (NTRS)

Palumbo, Daniel L.

2011-01-01

Wall pressure data acquired during flight tests at several flight conditions are analyzed and the correlation and coherence lengths of the data reported. It is shown how the frequency bandwidth of the analysis biases the correlation length and how the convection of the flow acts to reduce the coherence length. Coherence lengths measured in the streamwise direction appear much longer than would be expected based on classical results for flow over a flat plat.

Morphology and Length Correlated in Terminal Flushes of Longleaf Pine Saplings

Treesearch

R.M. Allen; N.M. Scarbrough

1970-01-01

In longleafpine (Pinuspalustris Mill.) saplings growing in southern Mississippi the length of the first or spring flush was significantly correlated with that of the second flush; the correlation of length between flushes two and three was also statistically significant. The correlations were due more to similarities in internode elongation than to node number. Flush...

Integration of length and curvature in haptic perception.

PubMed

Panday, Virjanand; Tiest, Wouter M Bergmann; Kappers, Astrid M L

2014-01-24

We investigated if and how length and curvature information are integrated when an object is explored in one hand. Subjects were asked to explore four types of objects between thumb and index finger. Objects differed in either length, curvature, both length and curvature correlated as in a circle, or anti-correlated. We found that when both length and curvature are present, performance is significantly better than when only one of the two cues is available. Therefore, we conclude that there is integration of length and curvature. Moreover, if the two cues are correlated in a circular cross-section instead of in an anti-correlated way, performance is better than predicted by a combination of two independent cues. We conclude that integration of curvature and length is highly efficient when the cues in the object are combined as in a circle, which is the most common combination of curvature and length in daily life.

Prevalence and correlates of exchanging sex for drugs or money among adolescents in the United States.

PubMed

Edwards, J M; Iritani, B J; Hallfors, D D

2006-10-01

This study examined the prevalence and correlates of exchanging sex for drugs or money among a nationally representative sample of 13,294 adolescents in the United States. Data are from the National Longitudinal Study of Adolescent Health, waves I and II. The lifetime prevalence of exchanging sex was estimated and a cross sectional analysis of sociodemographic and behavioural correlates was conducted. Unadjusted odds ratios were obtained. 3.5% of adolescents had ever exchanged sex for drugs or money. Two thirds of these youths were boys. The odds of having exchanged sex were higher for youths who had used drugs, had run away from home, were depressed, and had engaged in various sexual risk behaviours. 15% of boys and 20% of girls who had exchanged sex reported they had ever been told they have HIV or another sexually transmitted infection (STI). Adolescents with a history of exchanging sex have engaged in other high risk behaviours and may experience poor health outcomes, including depression and HIV/STIs. These findings should help inform strategies to prevent this high risk sexual behaviour and its potential consequences.

Systematic Analysis of the Effect of Small Scale Permeability Heterogeneity on Hyporheic Exchange Flux and Residence Times

NASA Astrophysics Data System (ADS)

Laube, G.; Schmidt, C.; Fleckenstein, J. H.

2014-12-01

The hyporheic zone (HZ) contributes significantly to whole stream biogeochemical cycling. Biogeochemical reactions within the HZ are often transport limited, thus, understanding these reactions requires knowledge about the magnitude of hyporheic fluxes (HF) and the residence time (RT) of these fluxes within the HZ. While the hydraulics of HF are relatively well understood, studies addressing the influence of permeability heterogeneity lack systematic analysis and have even produced contradictory results (e.g. [1] vs. [2]). In order to close this gap, this study uses a statistical numerical approach to elucidate the influence of permeability heterogeneity on HF and RT. We simulated and evaluated 3750 2D-scenarios of sediment heterogeneity by means of Gaussian random fields with focus on total HF and RT distribution. The scenarios were based on ten realizations of each of all possible combinations of 15 different correlation lengths, 5 dipping angles and 5 permeability variances. Roughly 500 hyporheic stream traces were analyzed per simulation, for a total of almost two million stream traces analyzed for correlations between permeability heterogeneity, HF, and RT. Total HF and the RT variance positively correlated with permeability variance while the mean RT negatively correlated with permeability variance. In contrast, changes in correlation lengths and dipping angles had little effect on the examined properties RT and HF. These results provide a possible explanation of the seemingly contradictory conclusions of recent studies, given that the permeability variances in these studies differ by several orders of magnitude. [1] Bardini, L., Boano, F., Cardenas, M.B, Sawyer, A.H, Revelli, R. and Ridolfi, L. "Small-Scale Permeability Heterogeneity Has Negligible Effects on Nutrient Cycling in Streambeds." Geophysical Research Letters, 2013. doi:10.1002/grl.50224. [2] Zhou, Y., Ritzi, R. W., Soltanian, M. R. and Dominic, D. F. "The Influence of Streambed Heterogeneity on Hyporheic Flow in Gravelly Rivers." Groundwater, 2013. doi:10.1111/gwat.12048.

The double-soft limit in cosmological correlation functions and graviton exchange effects

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

Alinea, Allan L.; Kubota, Takahiro; Misumi, Nobuhiko, E-mail: alinea@het.phys.sci.osaka-u.ac.jp, E-mail: kubota@celas.osaka-u.ac.jp, E-mail: misumi.nobu@gmail.com

The graviton exchange effect on cosmological correlation functions is examined by employing the double-soft limit technique. A new relation among correlation functions that contain the effects due to graviton exchange diagrams in addition to those due to scalar-exchange and scalar-contact-interaction, is derived by using the background field method and independently by the method of Ward identities associated with dilatation symmetry. We compare these three terms, putting small values for the slow-roll parameters and (1− n {sub s} ) ≈ 0.042, where n {sub s} is the scalar spectral index. It is argued that the graviton exchange effects are more dominantmore » than the other two and could be observed in the trispectrum in the double-soft limit. Our observation strengthens the previous work by Seery, Sloth and Vernizzi, in which it has been argued that the graviton exchange dominates in the counter-collinear limit for single field slow-roll inflation.« less

Dynamics of radiocesium exchange and interstratification in anhydrous clay interlayers: Bridging the atom and single crystal scales

NASA Astrophysics Data System (ADS)

Lammers, L. N.; Pestana, L. R.; Schaettle, K. B.; Head-Gordon, T.

2016-12-01

High structural charge clay minerals govern the transport and retention of radiocesium in soils and clay-rich geologic repositories. Cation exchange capacities in these phases are typically assumed to be limited to fast-exchanging basal and high-affinity edge sites, while ions in anhydrous interlayers, usually K+, are considered non-exchangeable. However, recent high resolution imaging and spectroscopic studies have demonstrated that Cs ions can in fact exchange with interlayer K without the formation of a hydrated intermediate.1,2 These exchange reactions result in sharp exchange fronts wherein K+ ions are completely replaced by Cs+ at the exchange interface, and the rate of exchange varies from layer to layer, resulting in the formation of interstratified structures (i.e., randomly alternating layers of exchanged and pristine interlayers). Currently, this process cannot be explained by any known exchange mechanism, and consequently, no kinetic expressions are available to account for this phenomenon in models of subsurface radiocesium fate and transport. We present a mesoscale model for direct exchange in anhydrous clay interlayers that is based on the kinetics of single ion migration events. Single atom migration kinetics derived from density functional theory (DFT) calculations are used as inputs to kinetic Monte Carlo (kMC) simulations, which capture the collective dynamics of the exchange process over length- and timescales relevant for implementation in reactive transport models. Potential energy surfaces derived from DFT demonstrate that exchange of Cs+ for K+ in anhydrous interlayers lowers the energy barrier to K ion migration by 145 kJ/mol, leading to a positive feedback mechanism that generates atomically sharp exchange fronts. Our work demonstrates the application of "coarse-graining" techniques to develop models for processes with characteristic length- and timescales not accessible by direct atomistic simulation. 1 Okumura T. et al. (2014) Direct observation of cesium at the interlayer region in phlogopite mica. Microscopy 63(1), 65-72. 2 Fuller A. J. et al. (2015) Caesium incorporation and retention in illite interlayers. Appl. Clay Sci. 108, 128-134.

Exhaust gas purification system for lean burn engine

DOEpatents

Haines, Leland Milburn

2002-02-19

An exhaust gas purification system for a lean burn engine includes a thermal mass unit and a NO.sub.x conversion catalyst unit downstream of the thermal mass unit. The NO.sub.x conversion catalyst unit includes at least one catalyst section. Each catalyst section includes a catalytic layer for converting NO.sub.x coupled to a heat exchanger. The heat exchanger portion of the catalyst section acts to maintain the catalytic layer substantially at a desired temperature and cools the exhaust gas flowing from the catalytic layer into the next catalytic section in the series. In a further aspect of the invention, the exhaust gas purification system includes a dual length exhaust pipe upstream of the NO.sub.x conversion catalyst unit. The dual length exhaust pipe includes a second heat exchanger which functions to maintain the temperature of the exhaust gas flowing into the thermal mass downstream near a desired average temperature.

Evaluating Multispectral Snowpack Reflectivity With Changing Snow Correlation Lengths

NASA Technical Reports Server (NTRS)

Kang, Do Hyuk; Barros, Ana P.; Kim, Edward J.

2016-01-01

This study investigates the sensitivity of multispectral reflectivity to changing snow correlation lengths. Matzler's ice-lamellae radiative transfer model was implemented and tested to evaluate the reflectivity of snow correlation lengths at multiple frequencies from the ultraviolet (UV) to the microwave bands. The model reveals that, in the UV to infrared (IR) frequency range, the reflectivity and correlation length are inversely related, whereas reflectivity increases with snow correlation length in the microwave frequency range. The model further shows that the reflectivity behavior can be mainly attributed to scattering rather than absorption for shallow snowpacks. The largest scattering coefficients and reflectivity occur at very small correlation lengths (approximately 10(exp -5 m) for frequencies higher than the IR band. In the microwave range, the largest scattering coefficients are found at millimeter wavelengths. For validation purposes, the ice-lamella model is coupled with a multilayer snow physics model to characterize the reflectivity response of realistic snow hydrological processes. The evolution of the coupled model simulated reflectivities in both the visible and the microwave bands is consistent with satellite-based reflectivity observations in the same frequencies. The model results are also compared with colocated in situ snow correlation length measurements (Cold Land Processes Field Experiment 2002-2003). The analysis and evaluation of model results indicate that the coupled multifrequency radiative transfer and snow hydrology modeling system can be used as a forward operator in a data-assimilation framework to predict the status of snow physical properties, including snow correlation length.

Finite-size scaling above the upper critical dimension in Ising models with long-range interactions

NASA Astrophysics Data System (ADS)

Flores-Sola, Emilio J.; Berche, Bertrand; Kenna, Ralph; Weigel, Martin

2015-01-01

The correlation length plays a pivotal role in finite-size scaling and hyperscaling at continuous phase transitions. Below the upper critical dimension, where the correlation length is proportional to the system length, both finite-size scaling and hyperscaling take conventional forms. Above the upper critical dimension these forms break down and a new scaling scenario appears. Here we investigate this scaling behaviour by simulating one-dimensional Ising ferromagnets with long-range interactions. We show that the correlation length scales as a non-trivial power of the linear system size and investigate the scaling forms. For interactions of sufficiently long range, the disparity between the correlation length and the system length can be made arbitrarily large, while maintaining the new scaling scenarios. We also investigate the behavior of the correlation function above the upper critical dimension and the modifications imposed by the new scaling scenario onto the associated Fisher relation.

Exchange-Correlation Effects for Noncovalent Interactions in Density Functional Theory.

PubMed

Otero-de-la-Roza, A; DiLabio, Gino A; Johnson, Erin R

2016-07-12

In this article, we develop an understanding of how errors from exchange-correlation functionals affect the modeling of noncovalent interactions in dispersion-corrected density-functional theory. Computed CCSD(T) reference binding energies for a collection of small-molecule clusters are decomposed via a molecular many-body expansion and are used to benchmark density-functional approximations, including the effect of semilocal approximation, exact-exchange admixture, and range separation. Three sources of error are identified. Repulsion error arises from the choice of semilocal functional approximation. This error affects intermolecular repulsions and is present in all n-body exchange-repulsion energies with a sign that alternates with the order n of the interaction. Delocalization error is independent of the choice of semilocal functional but does depend on the exact exchange fraction. Delocalization error misrepresents the induction energies, leading to overbinding in all induction n-body terms, and underestimates the electrostatic contribution to the 2-body energies. Deformation error affects only monomer relaxation (deformation) energies and behaves similarly to bond-dissociation energy errors. Delocalization and deformation errors affect systems with significant intermolecular orbital interactions (e.g., hydrogen- and halogen-bonded systems), whereas repulsion error is ubiquitous. Many-body errors from the underlying exchange-correlation functional greatly exceed in general the magnitude of the many-body dispersion energy term. A functional built to accurately model noncovalent interactions must contain a dispersion correction, semilocal exchange, and correlation components that minimize the repulsion error independently and must also incorporate exact exchange in such a way that delocalization error is absent.

A study of accurate exchange-correlation functionals through adiabatic connection

NASA Astrophysics Data System (ADS)

Singh, Rabeet; Harbola, Manoj K.

2017-10-01

A systematic way of improving exchange-correlation energy functionals of density functional theory has been to make them satisfy more and more exact relations. Starting from the initial generalized gradient approximation (GGA) functionals, this has culminated into the recently proposed SCAN (strongly constrained and appropriately normed) functional that satisfies several known constraints and is appropriately normed. The ultimate test for the functionals developed is the accuracy of energy calculated by employing them. In this paper, we test these exchange-correlation functionals—the GGA hybrid functionals B3LYP and PBE0 and the meta-GGA functional SCAN—from a different perspective. We study how accurately these functionals reproduce the exchange-correlation energy when electron-electron interaction is scaled as αVee with α varying between 0 and 1. Our study reveals interesting comparison between these functionals and the associated difference Tc between the interacting and the non-interacting kinetic energy for the same density.

Air-water oxygen exchange in a large whitewater river

USGS Publications Warehouse

Hall, Robert O.; Kennedy, Theodore A.; Rosi-Marshall, Emma J.

2012-01-01

Air-water gas exchange governs fluxes of gas into and out of aquatic ecosystems. Knowing this flux is necessary to calculate gas budgets (i.e., O2) to estimate whole-ecosystem metabolism and basin-scale carbon budgets. Empirical data on rates of gas exchange for streams, estuaries, and oceans are readily available. However, there are few data from large rivers and no data from whitewater rapids. We measured gas transfer velocity in the Colorado River, Grand Canyon, as decline in O2 saturation deficit, 7 times in a 28-km segment spanning 7 rapids. The O2 saturation deficit exists because of hypolimnetic discharge from Glen Canyon Dam, located 25 km upriver from Lees Ferry. Gas transfer velocity (k600) increased with slope of the immediate reach. k600 was -1 in flat reaches, while k600 for the steepest rapid ranged 3600-7700 cm h-1, an extremely high value of k600. Using the rate of gas exchange per unit length of water surface elevation (Kdrop, m-1), segment-integrated k600 varied between 74 and 101 cm h-1. Using Kdrop we scaled k600 to the remainder of the Colorado River in Grand Canyon. At the scale corresponding to the segment length where 80% of the O2 exchanged with the atmosphere (mean length = 26.1 km), k600 varied 4.5-fold between 56 and 272 cm h-1 with a mean of 113 cm h-1. Gas transfer velocity for the Colorado River was higher than those from other aquatic ecosystems because of large rapids. Our approach of scaling k600 based on Kdrop allows comparing gas transfer velocity across rivers with spatially heterogeneous morphology.

Extension and Application of High-Speed Digital Imaging Analysis Via Spatiotemporal Correlation and Eigenmode Analysis of Vocal Fold Vibration Before and After Polyp Excision.

PubMed

Wang, Jun-Sheng; Olszewski, Emily; Devine, Erin E; Hoffman, Matthew R; Zhang, Yu; Shao, Jun; Jiang, Jack J

2016-08-01

To evaluate the spatiotemporal correlation of vocal fold vibration using eigenmode analysis before and after polyp removal and explore the potential clinical relevance of spatiotemporal analysis of correlation length and entropy as quantitative voice parameters. We hypothesized that increased order in the vibrating signal after surgical intervention would decrease the eigenmode-based entropy and increase correlation length. Prospective case series. Forty subjects (23 males, 17 females) with unilateral (n = 24) or bilateral (n = 16) polyps underwent polyp removal. High-speed videoendoscopy was performed preoperatively and 2 weeks postoperatively. Spatiotemporal analysis was performed to determine entropy, quantification of signal disorder, correlation length, size, and spatially ordered structure of vocal fold vibration in comparison to full spatial consistency. The signal analyzed consists of the vibratory pattern in space and time derived from the high-speed video glottal area contour. Entropy decreased (Z = -3.871, P < .001) and correlation length increased (t = -8.913, P < .001) following polyp excision. The intraclass correlation coefficients (ICC) for correlation length and entropy were 0.84 and 0.93. Correlation length and entropy are sensitive to mass lesions. These parameters could potentially be used to augment subjective visualization after polyp excision when evaluating procedural efficacy. © The Author(s) 2016.

Kinetics of oxygen surface exchange on epitaxial Ruddlesden–Popper phases and correlations to first-principles descriptors

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

Lee, Yueh -Lin; Wang, Xiao Renshaw; Lee, Ho Nyung

2015-12-17

Through alignment of theoretical modeling with experimental measurements of oxygen surface-exchange kinetics on (001)-oriented La 2–xSr xMO 4+δ (M = Co, Ni, Cu) thin films, we demonstrate here the capability of the theoretical bulk O 2p-band centers to correlate with oxygen surface-exchange kinetics of the Ruddlesden–Popper oxide (RP 214) (001)-oriented thin films. In addition, we demonstrate that the bulk O 2p-band centers can also correlate with the experimental activation energies for bulk oxygen transport and oxygen surface exchange of both the RP 214 and the perovskite polycrystalline materials reported in the literature, indicating the effectiveness of the bulk O 2p-bandmore » centers in describing the associated energetics and kinetics. Here, we propose that the opposite slopes of the bulk O 2p-band center correlations between the RP 214 and the perovskite materials are due to the intrinsic mechanistic differences of their oxygen surface-exchange kinetics bulk anionic transport.« less

Long term leaf phenology and leaf exchange strategies of a cerrado savanna community

NASA Astrophysics Data System (ADS)

de Camargo, Maria Gabriela G.; Costa Alberton, Bruna; de Carvalho, Gustavo H.; Magalhães, Paula A. N. R.; Morellato, Leonor Patrícia C.

2017-04-01

Leaf development and senescence cycles are linked to a range of ecosystem processes, affecting seasonal patterns of atmosphere-ecosystem carbon and energy exchanges, resource availability and nutrient cycling. The degree of deciduousness of tropical trees and communities depend on ecosystems characteristics such as amount of biomass, species diversity and the strength and length of the dry season. Besides defining the growing season, deciduousness can also be an indicator of species response to climate changes in the tropics, mainly because severity of dry season can intensify leaf loss. Based on seven-years of phenological observations (2005 to 2011) we describe the long-term patterns of leafing phenology of a Brazilian cerrado savanna, aiming to (i) identify leaf exchange strategies of species, quantifying the degree of deciduousness, and verify whether these strategies vary among years depending on the length and strength of the dry seasons; (ii) define the growing seasons along the years and the main drivers of leaf flushing in the cerrado. We analyzed leafing patterns of 107 species and classified 69 species as deciduous (11 species), semi-deciduous (29) and evergreen (29). Leaf exchange was markedly seasonal, as expected for seasonal tropical savannas. Leaf fall predominated in the dry season, peaking in July, and leaf flushing in the transition between dry to wet seasons, peaking in September. Leafing patterns were similar among years with the growing season starting at the end of dry season, in September, for most species. However, leaf exchange strategies varied among years for most species (65%), except for evergreen strategy, mainly constant over years. Leafing patterns of cerrado species were strongly constrained by rainfall. The length of the dry season and rainfall intensity were likely affecting the individuals' leaf exchange strategies and suggesting a differential resilience of species to changes of rainfall regime, predicted on future global change scenarios.

Microtube strip heat exchanger

NASA Astrophysics Data System (ADS)

Doty, F. D.

1991-10-01

This progress report is for the September-October 1991 quarter. We have demonstrated feasibility of higher specific conductance by a factor of five than any other work in high-temperature gas-to-gas exchangers. These laminar-flow, microtube exchangers exhibit extremely low pressure drop compared to alternative compact designs under similar conditions because of their much shorter flow length and larger total flow area for lower flow velocities. The design appears to be amenable to mass production techniques, but considerable process development remains. The reduction in materials usage and the improved heat exchanger performance promise to be of enormous significance in advanced engine designs and in cryogenics.

[Correlation between gaseous exchange rate, body temperature, and mitochondrial protein content in the liver of mice].

PubMed

Muradian, Kh K; Utko, N O; Mozzhukhina, T H; Pishel', I M; Litoshenko, O Ia; Bezrukov, V V; Fraĭfel'd, V E

2002-01-01

Correlative and regressive relations between the gaseous exchange, thermoregulation and mitochondrial protein content were analyzed by two- and three-dimensional statistics in mice. It has been shown that the pair wise linear methods of analysis did not reveal any significant correlation between the parameters under exploration. However, it became evident at three-dimensional and non-linear plotting for which the coefficients of multivariable correlation reached and even exceeded 0.7-0.8. The calculations based on partial differentiation of the multivariable regression equations allow to conclude that at certain values of VO2, VCO2 and body temperature negative relations between the systems of gaseous exchange and thermoregulation become dominating.

Search for Length Dependent Stable Structures of Polyglutamaine Proteins with Replica Exchange Molecular Dynamic

NASA Astrophysics Data System (ADS)

Kluber, Alexander; Hayre, Robert; Cox, Daniel

2012-02-01

Motivated by the need to find beta-structure aggregation nuclei for the polyQ diseases such as Huntington's, we have undertaken a search for length dependent structure in model polyglutamine proteins. We use the Onufriev-Bashford-Case (OBC) generalized Born implicit solvent GPU based AMBER11 molecular dynamics with the parm96 force field coupled with a replica exchange method to characterize monomeric strands of polyglutamine as a function of chain length and temperature. This force field and solvation method has been shown among other methods to accurately reproduce folded metastability in certain small peptides, and to yield accurately de novo folded structures in a millisecond time-scale protein. Using GPU molecular dynamics we can sample out into the microsecond range. Additionally, explicit solvent runs will be used to verify results from the implicit solvent runs. We will assess order using measures of secondary structure and hydrogen bond content.

Air-gas exchange reevaluated: clinically important results of a computer simulation.

PubMed

Shunmugam, Manoharan; Shunmugam, Sudhakaran; Williamson, Tom H; Laidlaw, D Alistair

2011-10-21

The primary aim of this study was to evaluate the efficiency of air-gas exchange techniques and the factors that influence the final concentration of an intraocular gas tamponade. Parameters were varied to find the optimum method of performing an air-gas exchange in ideal circumstances. A computer model of the eye was designed using 3D software with fluid flow analysis capabilities. Factors such as angular distance between ports, gas infusion gauge, exhaust vent gauge and depth were varied in the model. Flow rate and axial length were also modulated to simulate faster injections and more myopic eyes, respectively. The flush volume of gas required to achieve a 97% intraocular gas fraction concentration were compared. Modulating individual factors did not reveal any clinically significant difference in the angular distance between ports, exhaust vent size, and depth or rate of gas injection. In combination, however, there was a 28% increase in air-gas exchange efficiency comparing the most efficient with the least efficient studied parameters in this model. The gas flush volume required to achieve a 97% gas fill also increased proportionately at a ratio of 5.5 to 6.2 times the volume of the eye. A 35-mL flush is adequate for eyes up to 25 mm in axial length; however, eyes longer than this would require a much greater flush volume, and surgeons should consider using two separate 50-mL gas syringes to ensure optimal gas concentration for eyes greater than 25 mm in axial length.

Wind energy input into the upper ocean over a lengthening open water season

NASA Astrophysics Data System (ADS)

Mahoney, A. R.; Rolph, R.; Walsh, J. E.

2017-12-01

Wind energy input into the ocean has important consequences for upper ocean mixing, heat and gas exchange, and air-sea momentum transfer. In the Arctic, the open water season is increasing and extending further into the fall storm season, allowing for more wind energy input into the water column. The rate at which the delayed freeze-up timing extends into fall storm season is an important metric to evaluate because the expanding overlap between the open water period and storm season could contribute a significant amount of wind energy into the water column in a relatively short period of time. We have shown that time-integrated wind speeds over open water in the Chukchi Sea and southern Beaufort region have increased since 1979 through 2014. An integrated wind energy input value is calculated for each year in this domain over the open water season, as well as for periods over partial concentrations of ice cover. Spatial variation of this integrated wind energy is shown along the Alaskan coastline, which can have implications for different rates of coastal erosion. Spatial correlation between average wind speed over open water and open water season length from 1979-2014 show positive values in the southern Beaufort, but negative values in the northern Chukchi. This suggests possible differences in the role of the ocean on open water season length depending on region. We speculate that the warm Pacific water outflow plays a more dominant role in extending the open water season length in the northern Chukchi when compared to the southern Beaufort, and might help explain why we can show there is a relatively longer open water season length there. The negative and positive correlations in wind speeds over open water and open water season length might also be explained by oceanic changes tending to operate on longer timescales than the atmosphere. Seasonal timescales of wind events such as regional differences in overlap of the extended open water season due to regional differences in delayed freeze-up into the fall storm season are also investigated. In addition, we have shown that the increased integrated wind energy input over open water values are more a result of the increased open water season length, rather than the increase in wind speeds over open water.

A small and light weight heat exchanger for on-board helium refrigerator

NASA Technical Reports Server (NTRS)

Koizumi, T.; Takahashi, M.; Uchida, T.; Kanazawa, Y.; Suzuki, M.

1983-01-01

A small and light weight heat exchanger used for small helium refrigerator has been developed by Sumitomo Heavy Industries, Ltd. This heat exchanger is a laminated metal heat exchanger which consists of perforated aluminum metal plates and glassfiber reinforced plastic separators. The size is from 100 mm to 28 mm in diameter and about 300 mm in length. The weight is from 2.5 kg to 0.6 kg. Also it can be used between room temperature and liquid helium temperature. The thermal efficiency obtained has been more than 96%. The heat exchanger has been practically used for on-board helium refrigerator in Japanese National Railways' superconducting magnetic levitated trains.

Relationship between photoreceptor outer segment length and visual acuity in diabetic macular edema.

PubMed

Forooghian, Farzin; Stetson, Paul F; Meyer, Scott A; Chew, Emily Y; Wong, Wai T; Cukras, Catherine; Meyerle, Catherine B; Ferris, Frederick L

2010-01-01

The purpose of this study was to quantify photoreceptor outer segment (PROS) length in 27 consecutive patients (30 eyes) with diabetic macular edema using spectral domain optical coherence tomography and to describe the correlation between PROS length and visual acuity. Three spectral domain-optical coherence tomography scans were performed on all eyes during each session using Cirrus HD-OCT. A prototype algorithm was developed for quantitative assessment of PROS length. Retinal thicknesses and PROS lengths were calculated for 3 parameters: macular grid (6 x 6 mm), central subfield (1 mm), and center foveal point (0.33 mm). Intrasession repeatability was assessed using coefficient of variation and intraclass correlation coefficient. The association between retinal thickness and PROS length with visual acuity was assessed using linear regression and Pearson correlation analyses. The main outcome measures include intrasession repeatability of macular parameters and correlation of these parameters with visual acuity. Mean retinal thickness and PROS length were 298 mum to 381 microm and 30 microm to 32 mum, respectively, for macular parameters assessed in this study. Coefficient of variation values were 0.75% to 4.13% for retinal thickness and 1.97% to 14.01% for PROS length. Intraclass correlation coefficient values were 0.96 to 0.99 and 0.73 to 0.98 for retinal thickness and PROS length, respectively. Slopes from linear regression analyses assessing the association of retinal thickness and visual acuity were not significantly different from 0 (P > 0.20), whereas the slopes of PROS length and visual acuity were significantly different from 0 (P < 0.0005). Correlation coefficients for macular thickness and visual acuity ranged from 0.13 to 0.22, whereas coefficients for PROS length and visual acuity ranged from -0.61 to -0.81. Photoreceptor outer segment length can be quantitatively assessed using Cirrus HD-OCT. Although the intrasession repeatability of PROS measurements was less than that of macular thickness measurements, the stronger correlation of PROS length with visual acuity suggests that the PROS measures may be more directly related to visual function. Photoreceptor outer segment length may be a useful physiologic outcome measure, both clinically and as a direct assessment of treatment effects.

Computational study of AuSi{sub n} (n=1-9) nanoalloy clusters invoking DFT based descriptors

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

Ranjan, Prabhat; Kumar, Ajay; Chakraborty, Tanmoy, E-mail: tanmoy.chakraborty@jaipur.manipal.edu, E-mail: tanmoychem@gmail.com

2016-04-13

Nanoalloy clusters formed between Au and Si are topics of great interest today from both scientific and technological point of view. Due to its remarkable catalytic, electronic, mechanical and magnetic properties Au-Si nanoalloy clusters have extensive applications in the field of microelectronics, catalysis, biomedicine, and jewelry industry. Density Functional Theory (DFT) is a new paradigm of quantum mechanics, which is very much popular to study the electronic properties of materials. Conceptual DFT based descriptors have been invoked to correlate the experimental properties of nanoalloy clusters. In this venture, we have systematically investigated AuSi{sub n} (n=1-9) nanoalloy clusters in the theoreticalmore » frame of the B3LYP exchange correlation. The experimental properties of AuSi{sub n} (n=1-9) nanoalloy clusters are correlated in terms of DFT based descriptors viz. HOMO-LUMO gap, Electronegativity (χ), Global Hardness (η), Global Softness (S) and Electrophilicity Index (ω). The calculated HOMO-LUMO gap exhibits interesting odd-even alteration behaviour, indicating that even numbered clusters possess higher stability as compare to their neighbour odd numbered clusters. This study also reflects a very well agreement between experimental bond length and computed data.« less

Dynamic Communicability Predicts Infectiousness

NASA Astrophysics Data System (ADS)

Mantzaris, Alexander V.; Higham, Desmond J.

Using real, time-dependent social interaction data, we look at correlations between some recently proposed dynamic centrality measures and summaries from large-scale epidemic simulations. The evolving network arises from email exchanges. The centrality measures, which are relatively inexpensive to compute, assign rankings to individual nodes based on their ability to broadcast information over the dynamic topology. We compare these with node rankings based on infectiousness that arise when a full stochastic SI simulation is performed over the dynamic network. More precisely, we look at the proportion of the network that a node is able to infect over a fixed time period, and the length of time that it takes for a node to infect half the network. We find that the dynamic centrality measures are an excellent, and inexpensive, proxy for the full simulation-based measures.

Two-Magnon Scattering in Spin-Orbital Mott Insulator Ba2IrO4

NASA Astrophysics Data System (ADS)

Tsuda, Shunsuke; Okabe, Hirotaka; Isobe, Masaaki; Uji, Shinya

2016-02-01

A spin-orbit induced Mott insulator Ba2IrO4 with the pseudo-spin Jeff = 1/2, showing an antiferromagnetic order (TN = 240 K), has been investigated by Raman spectroscopy. A broad peak with the B1g symmetry is found in a wide temperature region up to 400 K, which is ascribed to the two-magnon scattering. From the peak position and width, the exchange coupling and the antiferromagnetic correlation length are estimated to be 590 cm-1 and 45 Å at 90 K, respectively. The results are compared with the antiferromagnet La2CuO4 with the spin S = 1/2. We conclude that there is no significant difference in the short wavelength spin-excitation between the S = 1/2 and Jeff = 1/2 systems.

Invited Paper - Density functional theory: coverage of dynamic and non-dynamic electron correlation effects

NASA Astrophysics Data System (ADS)

Cremer, Dieter

The electron correlation effects covered by density functional theory (DFT) can be assessed qualitatively by comparing DFT densities ρ(r) with suitable reference densities obtained with wavefunction theory (WFT) methods that cover typical electron correlation effects. The analysis of difference densities ρ(DFT)-ρ(WFT) reveals that LDA and GGA exchange (X) functionals mimic non-dynamic correlation effects in an unspecified way. It is shown that these long range correlation effects are caused by the self-interaction error (SIE) of standard X functionals. Self-interaction corrected (SIC) DFT exchange gives, similar to exact exchange, for the bonding region a delocalized exchange hole, and does not cover any correlation effects. Hence, the exchange SIE is responsible for the fact that DFT densities often resemble MP4 or MP2 densities. The correlation functional changes X-only DFT densities in a manner observed when higher order coupling effects between lower order N-electron correlation effects are included. Hybrid functionals lead to changes in the density similar to those caused by SICDFT, which simply reflects the fact that hybrid functionals have been developed to cover part of the SIE and its long range correlation effects in a balanced manner. In the case of spin-unrestricted DFT (UDFT), non-dynamic electron correlation effects enter the calculation both via the X functional and via the wavefunction, which may cause a double-counting of correlation effects. The use of UDFT in the form of permuted orbital and broken-symmetry DFT (PO-UDFT, BS-UDFT) can lead to reasonable descriptions of multireference systems provided certain conditions are fulfilled. More reliable, however, is a combination of DFT and WFT methods, which makes the routine description of multireference systems possible. The development of such methods implies a separation of dynamic and non-dynamic correlation effects. Strategies for accomplishing this goal are discussed in general and tested in practice for CAS (complete active space)-DFT.

Random matrix theory and portfolio optimization in Moroccan stock exchange

NASA Astrophysics Data System (ADS)

El Alaoui, Marwane

2015-09-01

In this work, we use random matrix theory to analyze eigenvalues and see if there is a presence of pertinent information by using Marčenko-Pastur distribution. Thus, we study cross-correlation among stocks of Casablanca Stock Exchange. Moreover, we clean correlation matrix from noisy elements to see if the gap between predicted risk and realized risk would be reduced. We also analyze eigenvectors components distributions and their degree of deviations by computing the inverse participation ratio. This analysis is a way to understand the correlation structure among stocks of Casablanca Stock Exchange portfolio.

Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

DOE PAGES

Tao, Jianmin; Ye, Lin -Hui; Duan, Yuhua

2017-11-20

The primary goal of Kohn–Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao–Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew–Burke–Ernzerhof (PBE), Tao–Perdew–Staroverov–Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree–Fock density yields the exchange and correlation energies in good agreement with the Optimizedmore » Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Lastly, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.« less

Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

NASA Astrophysics Data System (ADS)

Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

2017-12-01

The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

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

Tao, Jianmin; Ye, Lin -Hui; Duan, Yuhua

The primary goal of Kohn–Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao–Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew–Burke–Ernzerhof (PBE), Tao–Perdew–Staroverov–Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree–Fock density yields the exchange and correlation energies in good agreement with the Optimizedmore » Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Lastly, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.« less

Oxygen exchange at gas/oxide interfaces: how the apparent activation energy of the surface exchange coefficient depends on the kinetic regime.

PubMed

Fielitz, Peter; Borchardt, Günter

2016-08-10

In the dedicated literature the oxygen surface exchange coefficient KO and the equilibrium oxygen exchange rate [Fraktur R] are considered to be directly proportional to each other regardless of the experimental circumstances. Recent experimental observations, however, contradict the consequences of this assumption. Most surprising is the finding that the apparent activation energy of KO depends dramatically on the kinetic regime in which it has been determined, i.e. surface exchange controlled vs. mixed or diffusion controlled. This work demonstrates how the diffusion boundary condition at the gas/solid interface inevitably entails a correlation between the oxygen surface exchange coefficient KO and the oxygen self-diffusion coefficient DO in the bulk ("on top" of the correlation between KO and [Fraktur R] for the pure surface exchange regime). The model can thus quantitatively explain the range of apparent activation energies measured in the different regimes: in the surface exchange regime the apparent activation energy only contains the contribution of the equilibrium exchange rate, whereas in the mixed or in the diffusion controlled regime the contribution of the oxygen self-diffusivity has also to be taken into account, which may yield significantly higher apparent activation energies and simultaneously quantifies the correlation KO ∝ DO(1/2) observed for a large number of oxides in the mixed or diffusion controlled regime, respectively.

Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations.

PubMed

Ren, Xinguo; Tkatchenko, Alexandre; Rinke, Patrick; Scheffler, Matthias

2011-04-15

The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice--evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals--leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior can be corrected by adding a "single excitation" contribution, so far not included in the standard RPA scheme. A similar improvement can also be achieved by replacing the non-self-consistent EX total energy by the corresponding self-consistent Hartree-Fock total energy, while retaining the RPA correlation energy evaluated using KS orbitals. Both schemes achieve chemical accuracy for a standard benchmark set of noncovalent intermolecular interactions.

Inflatable penile prosthesis implant length with baseline characteristic correlations: preliminary analysis of the PROPPER study

PubMed Central

Henry, Gerard; Karpman, Edward; Brant, William; Jones, LeRoy; Khera, Mohit; Kohler, Tobias; Christine, Brian; Rhee, Eugene; Kansas, Bryan; Bella, Anthony J.

2017-01-01

Background “Prospective Registry of Outcomes with Penile Prosthesis for Erectile Restoration” (PROPPER) is a large, multi-institutional, prospective clinical study to collect, analyze, and report real-world outcomes for men implanted with penile prosthetic devices. We prospectively correlated co-morbid conditions and demographic data with implanted penile prosthesis size to enable clinicians to better predict implanted penis size following penile implantation. We present many new data points for the first time in the literature and postulate that radical prostatectomy (RP) is negatively correlated with penile corporal length. Methods Patient demographics, medical history, baseline characteristics and surgical details were compiled prospectively. Pearson correlation coefficient was generated for the correlation between demographic, etiology of ED, duration of ED, co-morbid conditions, pre-operative penile length (flaccid and stretched) and length of implanted penile prosthesis. Multivariate analysis was performed to define predictors of implanted prosthesis length. Results From June 2011 to June 2017, 1,135 men underwent primary implantation of penile prosthesis at a total of 11 study sites. Malleable (Spectra), 2-piece Ambicor, and 3-piece AMS 700 CX/LGX were included in the analysis. The most common patient comorbidities were CV disease (26.1%), DM (11.1%), and PD (12.4%). Primary etiology of ED: RP (27.4%), DM (20.3%), CVD (18.0%), PD (10.3%), and Priapism (1.4%), others (22.6%). Mean duration of ED is 6.2¡À4.1 years. Implant length was weakly negatively correlated with White/Caucasian (r=−0.18; P<0.01), history of RP (r=−0.13; P<0.01), PD as comorbidity (r=−0.16; P<0.01), venous leak (r=−0.08; P<0.01), and presence of stress incontinence (r=−0.13; P<0.01). Analyses showed weak positive correlations with Black/AA (r=0.32; P<0.01), CV disease as primary ED etiology (r=0.08; P<0.01) and pre-operative stretched penile length (r=0.18; P<0.01). There is a moderate correlation with pre-operative flaccid penile length (r=0.30; P<0.01). Conclusions Implanted penile prosthesis length is negatively correlated with some ethnic groups, prostatectomy, and incontinence. Positive correlates include CV disease, preoperative stretched penile length, and flaccid penile length. PMID:29354506

Youth Baseball Pitching Stride Length: Normal Values and Correlation With Field Testing

PubMed Central

Fry, Karl E.; Pipkin, Andrew; Wittman, Kelcie; Hetzel, Scott; Sherry, Marc

2016-01-01

Background: Pitching biomechanical analysis has been recommended as an important component of performance, injury prevention, and rehabilitation. Normal values for youth pitching stride length have not been established, leading to application of normative values found among professional pitchers to youth pitchers. Hypotheses: The average youth pitching stride length will be significantly less than that of college and professional pitchers. There will be a positive correlation between stride length, lower extremity power, balance, and pitching experience. Study Design: Prospective cohort study. Level of Evidence: Level 3. Methods: Ninety-two youth baseball pitchers (aged 9-14 years) met the inclusion/exclusion criteria and completed the study. Stride length was recorded using a Dartfish video system over 3 maximal effort pitches. Both intra- and interrater reliability was calculated for the assessment of stride length. Double-leg vertical jump, single-leg stance time, leg length, weight, age, and pitching experience were also recorded. Results: Mean (SD) stride length was 66.0% (7.1%) of height. Stride length was correlated (P < 0.01) with vertical jump (0.38), pitching experience (0.36), and single-leg balance (0.28), with excellent intra- and interrater reliability (0.985 or higher). No significant correlations between stride length and body weight, leg length, or age existed. Conclusions: There was a significant difference between youth pitching stride length and the current published norms for older and more elite throwers. There was a positive correlation between stride length and lower extremity power, pitching experience, and single-leg balance. Clinical Relevance: Two-dimensional analysis of stride length allows for the assessment of pitching biomechanics in a practical manner. These values can be used for return to pitching parameters after an injury and designing injury prevention and performance programs. PMID:27864504

Youth Baseball Pitching Stride Length: Normal Values and Correlation With Field Testing.

PubMed

Fry, Karl E; Pipkin, Andrew; Wittman, Kelcie; Hetzel, Scott; Sherry, Marc

Pitching biomechanical analysis has been recommended as an important component of performance, injury prevention, and rehabilitation. Normal values for youth pitching stride length have not been established, leading to application of normative values found among professional pitchers to youth pitchers. The average youth pitching stride length will be significantly less than that of college and professional pitchers. There will be a positive correlation between stride length, lower extremity power, balance, and pitching experience. Prospective cohort study. Level 3. Ninety-two youth baseball pitchers (aged 9-14 years) met the inclusion/exclusion criteria and completed the study. Stride length was recorded using a Dartfish video system over 3 maximal effort pitches. Both intra- and interrater reliability was calculated for the assessment of stride length. Double-leg vertical jump, single-leg stance time, leg length, weight, age, and pitching experience were also recorded. Mean (SD) stride length was 66.0% (7.1%) of height. Stride length was correlated ( P < 0.01) with vertical jump (0.38), pitching experience (0.36), and single-leg balance (0.28), with excellent intra- and interrater reliability (0.985 or higher). No significant correlations between stride length and body weight, leg length, or age existed. There was a significant difference between youth pitching stride length and the current published norms for older and more elite throwers. There was a positive correlation between stride length and lower extremity power, pitching experience, and single-leg balance. Two-dimensional analysis of stride length allows for the assessment of pitching biomechanics in a practical manner. These values can be used for return to pitching parameters after an injury and designing injury prevention and performance programs.

SAW correlator spread spectrum receiver

DOEpatents

Brocato, Robert W

2014-04-01

A surface acoustic wave (SAW) correlator spread-spectrum (SS) receiver is disclosed which utilizes a first demodulation stage with a chip length n and a second demodulation stage with a chip length m to decode a transmitted SS signal having a code length l=n.times.m which can be very long (e.g. up to 2000 chips or more). The first demodulation stage utilizes a pair of SAW correlators which demodulate the SS signal to generate an appropriate code sequence at an intermediate frequency which can then be fed into the second demodulation stage which can be formed from another SAW correlator, or by a digital correlator. A compound SAW correlator comprising two input transducers and a single output transducer is also disclosed which can be used to form the SAW correlator SS receiver, or for use in processing long code length signals.

Prediction of anthropometric measurements from tooth length--A Dravidian study.

PubMed

Sunitha, J; Ananthalakshmi, R; Sathiya, Jeeva J; Nadeem, Jeddy; Dhanarathnam, Shanmugam

2015-12-01

Anthropometric measurement is essential for identification of both victims and suspects. Often, this data is not readily available in a crime scene situation. The availability of one data set should help in predicting the other. This study was hypothesised on the basis of a correlation and geometry between the tooth length and various body measurements. To correlate face, palm, foot and stature measurements with tooth length. To derive a regression formula to estimate the various measurements from tooth length. The present study was conducted on Dravidian dental students in the age group 18 - 25 with a sample size of 372. All of the dental and physical parameters were measured using standard anthropometric equipments and techniques. The data was analysed using SPSS software and the methods used for statistical analysis were linear regression analysis and Pearson correlation. The parameters (incisor height (IH), face height (FH), palm length (PL), foot length (FL) and stature (S) showed nil to mild correlation (R = 0.2 ≤ 0.4) except for palm length (PL) and foot length (FL). (R>0.6). It is concluded that odontometric data is not a reliable source for estimating the face height (FH), palm length (PL), foot length (FL) and stature (S).

A new method to predict anatomical outcome after idiopathic macular hole surgery.

PubMed

Liu, Peipei; Sun, Yaoyao; Dong, Chongya; Song, Dan; Jiang, Yanrong; Liang, Jianhong; Yin, Hong; Li, Xiaoxin; Zhao, Mingwei

2016-04-01

To investigate whether a new macular hole closure index (MHCI) could predict anatomic outcome of macular hole surgery. A vitrectomy with internal limiting membrane peeling, air-fluid exchange, and gas tamponade were performed on all patients. The postoperative anatomic status of the macular hole was defined by spectral-domain OCT. MHCI was calculated as (M+N)/BASE based on the preoperative OCT status. M and N were the curve lengths of the detached photoreceptor arms, and BASE was the length of the retinal pigment epithelial layer (RPE layer) detaching from the photoreceptors. Postoperative anatomical outcomes were divided into three grades: A (bridge-like closure), B (good closure), and C (poor closure or no closure). Correlation analysis was performed between anatomical outcomes and MHCI. Receiver operating characteristic (ROC) curves were derived for MHCI, indicating good model discrimination. ROC curves were also assessed by the area under the curve, and cut-offs were calculated. Other predictive parameters reported previously, which included the MH minimum, the MH height, the macular hole index (MHI), the diameter hole index (DHI), and the tractional hole index (THI) had been compared as well. MHCI correlated significantly with postoperative anatomical outcomes (r = 0.543, p = 0.000), but other predictive parameters did not. The areas under the curves indicated that MHCI could be used as an effective predictor of anatomical outcome. Cut-off values of 0.7 and 1.0 were obtained for MHCI from ROC curve analysis. MHCI demonstrated a better predictive effect than other parameters, both in the correlation analysis and ROC analysis. MHCI could be an easily measured and accurate predictive index for postoperative anatomical outcomes.

Sella size and jaw bases - Is there a correlation???

PubMed

Neha; Mogra, Subraya; Shetty, Vorvady Surendra; Shetty, Siddarth

2016-01-01

Sella turcica is an important cephalometric structure and attempts have been made in the past to correlate its dimensions to the malocclusion. However, no study has so far compared the size of sella to the jaw bases that determine the type of malocclusion. The present study was undertaken to find out any such correlation if it exists. Lateral cephalograms of 110 adults consisting of 40 Class I, 40 Class II, and 30 Class III patients were assessed for the measurement of sella length, width, height, and area. The maxillary length, mandibular ramus height, and body length were also measured. The sella dimensions were compared among three malocclusion types by one-way ANOVA. Pearson correlation was calculated between the jaw size and sella dimensions. Furthermore, the ratio of jaw base lengths and sella area were calculated. Mean sella length, width and area were found to be greatest in Class III, followed by Class I and least in Class II though the results were not statistically significant. 3 out of 4 measured dimensions of sella, correlated significantly with mandibular ramus and body length each. However, only one dimension of sella showed significant correlation with maxilla. The mandibular ramus and body length show a nearly constant ratio to sella area (0.83-0.85, 0.64-0.65, respectively) in all the three malocclusions. Thus, mandible has a definite and better correlation to the size of sella turcica.

A multiscale model of placental oxygen exchange: The effect of villous tree structure on exchange efficiency.

PubMed

Lin, Mabelle; Mauroy, Benjamin; James, Joanna L; Tawhai, Merryn H; Clark, Alys R

2016-11-07

The placenta is critical to fetal health during pregnancy as it supplies oxygen and nutrients to maintain life. It has a complex structure, and alterations to this structure across spatial scales are associated with several pregnancy complications, including intrauterine growth restriction (IUGR). The relationship between placental structure and its efficiency as an oxygen exchanger is not well understood in normal or pathological pregnancies. Here we present a computational framework that predicts oxygen transport in the placenta which accounts for blood and oxygen transport in the space around a placental functional unit (the villous tree). The model includes the well-defined branching structure of the largest villous tree branches, as well as a smoothed representation of the small terminal villi that comprise the placenta's gas exchange interfaces. The model demonstrates that oxygen exchange is sensitive to villous tree geometry, including the villous branch length and volume, which are seen to change in IUGR. This is because, to be an efficient exchanger, the architecture of the villous tree must provide a balance between maximising the surface area available for exchange, and the opposing condition of allowing sufficient maternal blood flow to penetrate into the space surrounding the tree. The model also predicts an optimum oxygen exchange when the branch angle is 24 °, as villous branches and TBs are spread out sufficiently to channel maternal blood flow deep into the placental tissue for oxygen exchange without being shunted directly into the DVs. Without concurrent change in the branch length and angles, the model predicts that the number of branching generations has a small influence on oxygen exchange. The modelling framework is presented in 2D for simplicity but is extendible to 3D or to incorporate the high-resolution imaging data that is currently evolving to better quantify placental structure. Copyright © 2016 Elsevier Ltd. All rights reserved.

Reversing flow development in a separating turbulent boundary layer

NASA Astrophysics Data System (ADS)

Santos, Leonardo; Lang, Amy; Wahidi, Redha; Bonacci, Andrew

2016-11-01

Fast swimming sharks have micro-structures on their skin consisting of bristling scales. These scales are hypothesized to bristle in response to backflow generated from the separated turbulent boundary layer (TBL) in regions of adverse pressure gradient (APG) on the shark body. Vortices are trapped in the cavities between the scales, which induce momentum exchange between the higher momentum fluid in the outer flow and that in the separated region. This momentum exchange causes reattachment of the separated TBL, causing the scales to return to the unbristled location, and the cycle continues. The rows of scales have widths that are comparable to the spanwise length scale of the intermittent backflow patches that appear in the region of incipient detachment of TBLs. In this experimental investigation, correlations between the shark scale's width and the spanwise size of the low backflow streaks are examined, as well as details of the incipient detachment region. The experiments are conducted in a water tunnel facility and the flow field is measured using PIV. Turbulent boundary layers are subjected to an APG via a rotating cylinder. Separated TBLs are investigated on a flat plate. The authors would like to greatfully acknowledge the Army Research Office for funding this project.

MN15-L: A New Local Exchange-Correlation Functional for Kohn-Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids.

PubMed

Yu, Haoyu S; He, Xiao; Truhlar, Donald G

2016-03-08

Kohn-Sham density functional theory is widely used for applications of electronic structure theory in chemistry, materials science, and condensed-matter physics, but the accuracy depends on the quality of the exchange-correlation functional. Here, we present a new local exchange-correlation functional called MN15-L that predicts accurate results for a broad range of molecular and solid-state properties including main-group bond energies, transition metal bond energies, reaction barrier heights, noncovalent interactions, atomic excitation energies, ionization potentials, electron affinities, total atomic energies, hydrocarbon thermochemistry, and lattice constants of solids. The MN15-L functional has the same mathematical form as a previous meta-nonseparable gradient approximation exchange-correlation functional, MN12-L, but it is improved because we optimized it against a larger database, designated 2015A, and included smoothness restraints; the optimization has a much better representation of transition metals. The mean unsigned error on 422 chemical energies is 2.32 kcal/mol, which is the best among all tested functionals, with or without nonlocal exchange. The MN15-L functional also provides good results for test sets that are outside the training set. A key issue is that the functional is local (no nonlocal exchange or nonlocal correlation), which makes it relatively economical for treating large and complex systems and solids. Another key advantage is that medium-range correlation energy is built in so that one does not need to add damped dispersion by molecular mechanics in order to predict accurate noncovalent binding energies. We believe that the MN15-L functional should be useful for a wide variety of applications in chemistry, physics, materials science, and molecular biology.

Density fluctuation correlation measurements in ASDEX Upgrade using poloidal and radial correlation reflectometry

NASA Astrophysics Data System (ADS)

Prisiazhniuk, D.; Conway, G. D.; Krämer-Flecken, A.; Stroth, U.; the ASDEX Upgrade Team

2018-07-01

The poloidal correlation reflectometry diagnostic operated in ordinary mode with additional radial correlation channel is applied in this paper to investigate the correlation of the turbulent density fluctuations. The perpendicular and radial correlation lengths, l ⊥ and l r , the perpendicular velocity v⊥ and the dissipation (mutation) time τ d are measured simultaneously from the outer core to edge in the L-mode plasmas of ASDEX Upgrade. It is shown that in the outer core region (0.6 < ρ pol < 0.9) the measured correlation lengths scale with the drift wave length, l ⊥ ≈ 5ρ s and l r ≈ 10ρ s , while the dissipation time is inversely correlated with the velocity τ d ≈ 40/v ⊥(τ d is in μs and v ⊥ in km s–1). In the pedestal region (0.925 < ρ pol < 0.98), where the E × B shear flows are present, a loss of measured correlation is observed which can be explained by a combination of small propagation velocity and an additional reduction of τ d . In the E r well region (ρ pol ≈ 0.99), the measured perpendicular correlation length increases {l}\\perp ≈ 13{ρ }s and the radial correlation length decreases l r ≈ 4ρ s compared to the outer core values. The correlation measurements are interpreted in the frame of the linear regime of reflectometry (applied only to ρ pol < 0.9). Using the Born approximation we show that the finite wavenumber sensitivity of the reflectometer increases the measured l ⊥and l r , but does not affect the measured τ d . By the including diagnostic correction the real correlation lengths l ⊥ ≈ l r ≈ 3ρ s are estimated.

Sex-for-Crack exchanges: associations with risky sexual and drug use niches in an urban Canadian city

PubMed Central

2013-01-01

Background While crack cocaine has been associated with elevated sexual risks and transmission of HIV/STIs, particularly in the context of street-based sex work, few empirical studies have examined correlates of direct sex-for-crack exchanges. This study longitudinally examined the correlates of sex-for-crack exchanges and associated effects on sexual risk outcomes among street-based female sex workers (SW) who use drugs in Vancouver, Canada. Methods Data were drawn from a prospective cohort of street-based SWs (2006–2008), restricted to those who smoke crack cocaine. Multivariable generalized estimating equations (GEE) were employed to examine the correlates of exchanging sex for crack. A confounding model using GEE quasi-Poisson regression modeled the independent effect of exchanging sex for crack on number of clients/week. Results Of 206 SWs, 101 (49%) reported sex-for-crack exchanges over 18 months of follow-up. In multivariable GEE analyses, sharing a crack pipe with a client (aOR = 1.98; 95%CI: 1.27-3.08) and smoking crack in a group of strangers (e.g., in an alley or crackhouse) (aOR = 1.70; 95% CI: 1.13-2.58) were independently correlated with sex-for-crack exchanges. In our confounding model, exchanging sex for crack (aIRR = 1.34; 95% CI: 1.07-1.69) remained significantly associated with servicing a greater number (>10) of clients/week. Conclusions These findings reveal elevated sexual- and drug- risk patterns among those who exchange sex for crack. The physical and social environment featured prominently in our results as a driver of sex-for-crack exchanges, highlighting the need for gender-sensitive multilevel approaches to harm reduction, STI and HIV prevention that address SWs’ environment, individual level factors, and the interplay between them. PMID:24238367

Depolymerization dynamics of individual filaments of bacterial cytoskeletal protein FtsZ

PubMed Central

Mateos-Gil, Pablo; Paez, Alfonso; Hörger, Ines; Rivas, Germán; Vicente, Miguel; Tarazona, Pedro; Vélez, Marisela

2012-01-01

We report observation and analysis of the depolymerization filaments of the bacterial cytoskeletal protein FtsZ (filament temperature-sensitive Z) formed on a mica surface. At low concentration, proteins adsorbed on the surface polymerize forming curved filaments that close into rings that remain stable for some time before opening irreversibly and fully depolymerizing. The distribution of ring lifetimes (T) as a function of length (N), shows that the rate of ring aperture correlates with filament length. If this ring lifetime is expressed as a bond survival time, (Tb ≡ NT), this correlation is abolished, indicating that these rupture events occur randomly and independently at each monomer interface. After rings open irreversibly, depolymerization of the remaining filaments is fast, but can be slowed down and followed using a nonhydrolyzing GTP analogue. The histogram of depolymerization velocities of individual filaments has an asymmetric distribution that can be fit with a computer model that assumes two rupture rates, a slow one similar to the one observed for ring aperture, affecting monomers in the central part of the filaments, and a faster one affecting monomers closer to the open ends. From the quantitative analysis, we conclude that the depolymerization rate is affected both by nucleotide hydrolysis rate and by its exchange along the filament, that all monomer interfaces are equally competent for hydrolysis, although depolymerization is faster at the open ends than in central filament regions, and that all monomer–monomer interactions, regardless of the nucleotide present, can adopt a curved configuration. PMID:22566654

Quantum dust magnetosonic waves with spin and exchange correlation effects

NASA Astrophysics Data System (ADS)

Maroof, R.; Mushtaq, A.; Qamar, A.

2016-01-01

Dust magnetosonic waves are studied in degenerate dusty plasmas with spin and exchange correlation effects. Using the fluid equations of magnetoplasma with quantum corrections due to the Bohm potential, temperature degeneracy, spin magnetization energy, and exchange correlation, a generalized dispersion relation is derived. Spin effects are incorporated via spin force and macroscopic spin magnetization current. The exchange-correlation potentials are used, based on the adiabatic local-density approximation, and can be described as a function of the electron density. For three different values of angle, the dispersion relation is reduced to three different modes under the low frequency magnetohydrodynamic assumptions. It is found that the effects of quantum corrections in the presence of dust concentration significantly modify the dispersive properties of these modes. The results are useful for understanding numerous collective phenomena in quantum plasmas, such as those in compact astrophysical objects (e.g., the cores of white dwarf stars and giant planets) and in plasma-assisted nanotechnology (e.g., quantum diodes, quantum free-electron lasers, etc.).

Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory.

PubMed

Eich, F G; Hellgren, Maria

2014-12-14

We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state and exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.

Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory

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

Eich, F. G., E-mail: eichf@missouri.edu; Hellgren, Maria

2014-12-14

We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state andmore » exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.« less

Desert bird associations with broad-scale boundary length: Applications in avian conservation

USGS Publications Warehouse

Gutzwiller, K.J.; Barrow, W.C.

2008-01-01

1. Current understanding regarding the effects of boundaries on bird communities has originated largely from studies of forest-non-forest boundaries in mesic systems. To assess whether broad-scale boundary length can affect bird community structure in deserts, and to identify patterns and predictors of species' associations useful in avian conservation, we studied relations between birds and boundary-length variables in Chihuahuan Desert landscapes. Operationally, a boundary was the border between two adjoining land covers, and broad-scale boundary length was the total length of such borders in a large area. 2. Within 2-km radius areas, we measured six boundary-length variables. We analysed bird-boundary relations for 26 species, tested for assemblage-level patterns in species' associations with boundary-length variables, and assessed whether body size, dispersal ability and cowbird-host status were correlates of these associations. 3. The abundances or occurrences of a significant majority of species were associated with boundary-length variables, and similar numbers of species were related positively and negatively to boundary-length variables. 4. Disproportionately small numbers of species were correlated with total boundary length, land-cover boundary length and shrubland-grassland boundary length (variables responsible for large proportions of boundary length). Disproportionately large numbers of species were correlated with roadside boundary length and riparian vegetation-grassland boundary length (variables responsible for small proportions of boundary length). Roadside boundary length was associated (positively and negatively) with the most species. 5. Species' associations with boundary-length variables were not correlated with body size, dispersal ability or cowbird-host status. 6. Synthesis and applications. For the species we studied, conservationists can use the regressions we report as working models to anticipate influences of boundary-length changes on bird abundance and occurrence, and to assess avifaunal composition for areas under consideration for protection. Boundary-length variables associated with a disproportionate or large number of species can be used as foci for landscape management. Assessing the underlying causes of bird-boundary relations may improve the prediction accuracy of associated models. We therefore advocate local- and broad-scale manipulative experiments involving the boundary types with which species were correlated, as indicated by the regressions. ?? 2008 The Authors.

Large-scale parent–child comparison confirms a strong paternal influence on telomere length

PubMed Central

Nordfjäll, Katarina; Svenson, Ulrika; Norrback, Karl-Fredrik; Adolfsson, Rolf; Roos, Göran

2010-01-01

Telomere length is documented to have a hereditary component, and both paternal and X-linked inheritance have been proposed. We investigated blood cell telomere length in 962 individuals with an age range between 0 and 102 years. Telomere length correlations were analyzed between parent–child pairs in different age groups and between grandparent–grandchild pairs. A highly significant correlation between the father's and the child's telomere length was observed (r=0.454, P<0.001), independent of the sex of the offspring (father–son: r=0.465, P<0.001; father–daughter: r=0.484, P<0.001). For mothers, the correlations were weaker (mother–child: r=0.148, P=0.098; mother–son: r=0.080, P=0.561; mother–daughter: r=0.297, P=0.013). A positive telomere length correlation was also observed for grandparent–grandchild pairs (r=0.272, P=0.013). Our findings indicate that fathers contribute significantly stronger to the telomere length of the offspring compared with mothers (P=0.012), but we cannot exclude a maternal influence on the daughter's telomeres. Interestingly, the father–child correlations diminished with increasing age (P=0.022), suggesting that nonheritable factors have an impact on telomere length dynamics during life. PMID:19826452

30 CFR 206.52 - How do I calculate royalty value for oil that I or my affiliate sell(s) or exchange(s) under an...

Code of Federal Regulations, 2010 CFR

2010-07-01

... Resources MINERALS MANAGEMENT SERVICE, DEPARTMENT OF THE INTERIOR MINERALS REVENUE MANAGEMENT PRODUCT....56 and 206.57. If the arm's-length sales contract does not reflect the total consideration actually... total consideration accruing to the seller. Use this section to value oil that: (1) You sell under an...

Constraint on the second functional derivative of the exchange-correlation energy

NASA Astrophysics Data System (ADS)

Joubert, D. P.

2012-09-01

Using the density functional adiabatic connection approach for an N-electron system it is shown that ? γ is the coupling constant that scales the electron-electron interaction strength. For the non-interacting Kohn-Sham Hamiltonian γ = 0 and for the fully interacting system γ = 1. ? is the Hartree plus exchange-correlation energy while f 0(r) and fγ(r) are the Fukui functions of the non-interacting and interacting systems, respectively. This identity can serve to test the internal self-consistency or quality of approximate functionals. The quality of some popular approximate exchange and correlation functionals are tested for a simple model system.

Optimization of a hybrid exchange-correlation functional for silicon carbides

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

Oda, Takuji; Zhang, Yanwen; Weber, William J

2013-01-01

A hybrid exchange-correlation functional is optimized in order to accurately describe the nature of silicon carbides (SiC) in the framework of ab-initio calculations based on density functional theory (DFT), especially with an aim toward future applications in defect studies. It is shown that the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional with the screening parameter of 0.15 -1 outperforms conventional exchange-correlation functionals and other popular hybrid functionals regarding description of band structures in SiC. High transferability is proven through assessment over various SiC polytypes, silicon and diamond. Excellent performance is also confirmed for other fundamental material properties including elastic constants and phonon frequency.

Shear Alfvén Wave with Quantum Exchange-Correlation Effects in Plasmas

NASA Astrophysics Data System (ADS)

Mir, Zahid; Jamil, M.; Rasheed, A.; Asif, M.

2017-09-01

The dust shear Alfvén wave is studied in three species dusty quantum plasmas. The quantum effects are incorporated through the Fermi degenerate pressure, tunneling potential, and in particular the exchange-correlation potential. The significance of exchange-correlation potential is pointed out by a graphical description of the dispersion relation, which shows that the exchange potential magnifies the phase speed. The low-frequency shear Alfvén wave is studied while considering many variables. The shear Alfvén wave gains higher phase speed at the range of small angles for the upper end of the wave vector spectrum. The increasing dust charge and the external magnetic field reflect the increasing tendency of phase speed. This study may explain many natural mechanisms associated with long wavelength radiations given in the summary.

Entrance-length dendritic plate heat exchangers

DOE PAGES

Bejan, A.; Alalaimi, M.; Sabau, A. S.; ...

2017-07-17

We explore the idea that the highest heat transfer rate between two fluids in a given volume is achieved when plate channel lengths are given by the thermal entrance length, i.e., when the thermal boundary layers meet at the exit of each channel. The overall design can be thought of an elemental construct of a dendritic heat exchanger, which consists of two tree-shaped streams arranged in cross flow. Every channel is as long as the thermal entrance length of the developing flow that resides in that channel. The results indicate that the overall design will change with the total volumemore » and total number of channels. We found that the lengths of the surfaces swept in cross flow would have to decrease sizably as number of channels increases, while exhibiting mild decreases as total volume increases. The aspect ratio of each surface swept by fluid in cross flow should be approximately square, independent of total number of channels and volume. We also found that the minimum pumping power decreases sensibly as the total number of channels and the volume increase. FurtherThe maximized heat transfer rate per unit volume increases sharply as the total volume decreases, in agreement with the natural evolution toward miniaturization in technology.« less

Entrance-length dendritic plate heat exchangers

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

Bejan, A.; Alalaimi, M.; Sabau, A. S.

We explore the idea that the highest heat transfer rate between two fluids in a given volume is achieved when plate channel lengths are given by the thermal entrance length, i.e., when the thermal boundary layers meet at the exit of each channel. The overall design can be thought of an elemental construct of a dendritic heat exchanger, which consists of two tree-shaped streams arranged in cross flow. Every channel is as long as the thermal entrance length of the developing flow that resides in that channel. The results indicate that the overall design will change with the total volumemore » and total number of channels. We found that the lengths of the surfaces swept in cross flow would have to decrease sizably as number of channels increases, while exhibiting mild decreases as total volume increases. The aspect ratio of each surface swept by fluid in cross flow should be approximately square, independent of total number of channels and volume. We also found that the minimum pumping power decreases sensibly as the total number of channels and the volume increase. FurtherThe maximized heat transfer rate per unit volume increases sharply as the total volume decreases, in agreement with the natural evolution toward miniaturization in technology.« less

Finite-T correlations and free exchange-correlation energy of quasi-one-dimensional electron gas

NASA Astrophysics Data System (ADS)

Garg, Vinayak; Sharma, Akariti; Moudgil, R. K.

2018-02-01

We have studied the effect of temperature on static density-density correlations and plasmon excitation spectrum of quasi-one-dimensional electron gas (Q1DEG) using the random phase approximation (RPA). Numerical results for static structure factor, pair-correlation function, static density susceptibility, free exchange-correlation energy and plasmon dispersion are presented over a wide range of temperature and electron density. As an interesting result, we find that the short-range correlations exhibit a non-monotonic dependence on temperature T, initially growing stronger (i.e. the pair-correlation function at small inter-electron spacing assuming relatively smaller values) with increasing T and then weakening above a critical T. The cross-over temperature is found to increase with increasing coupling among electrons. Also, the q = 2kF peak in the static density susceptibility χ(q,ω = 0,T) at T = 0 K smears out with rising T. The free exchange-correlation energy and plasmon dispersion show a significant variation with T, and the trend is qualitatively the same as in higher dimensions.

Mean bond-length variations in crystals for ions bonded to oxygen

PubMed Central

2017-01-01

Variations in mean bond length are examined in oxide and oxysalt crystals for 55 cation configurations bonded to O2−. Stepwise multiple regression analysis shows that mean bond length is correlated to bond-length distortion in 42 ion configurations at the 95% confidence level, with a mean coefficient of determination (〈R 2〉) of 0.35. Previously published correlations between mean bond length and mean coordination number of the bonded anions are found not to be of general applicability to inorganic oxide and oxysalt structures. For two of 11 ions tested for the 95% confidence level, mean bond lengths predicted using a fixed radius for O2− are significantly more accurate as those predicted using an O2− radius dependent on coordination number, and are statistically identical otherwise. As a result, the currently accepted ionic radii for O2− in different coordinations are not justified by experimental data. Previously reported correlation between mean bond length and the mean electronegativity of the cations bonded to the oxygen atoms of the coordination polyhedron is shown to be statistically insignificant; similar results are obtained with regard to ionization energy. It is shown that a priori bond lengths calculated for many ion configurations in a single structure-type leads to a high correlation between a priori and observed mean bond lengths, but a priori bond lengths calculated for a single ion configuration in many different structure-types leads to negligible correlation between a priori and observed mean bond lengths. This indicates that structure type has a major effect on mean bond length, the magnitude of which goes beyond that of the other variables analyzed here.

Correlates of exchange sex among a population-based sample of low-income women who have heterosexual sex in Baltimore.

PubMed

Sherman, Susan G; Hast, Marisa; Park, Ju Nyeong; Decker, Michele R; Flynn, Colin; German, Danielle

2018-03-08

Sex exchange is associated with HIV and other morbidities yet has received little research, surveillance, and programmatic attention in the U.S. This study identified correlates of exchange sex and among low-income women in Baltimore, Maryland. Participants were recruited into the National HIV Behavioral Surveillance (NHBS) system in 2013 using respondent driven sampling (RDS) and completed a survey and HIV testing. The analytic sample (n = 253) consisted of women aged ≥18 years who had recent (past year) heterosexual sex. Multivariable logistic regression identified correlates of recent exchange sex. Independently associated with recent exchange sex were history of injection drug use (adjusted odds ratio (AOR) = 3.4, 95% CI: 1.1-10.3), recent prescription painkiller use (AOR = 3.7, 95% CI: 1.4-9.9), recent crack/cocaine use (AOR = 6.6, 95% CI: 2.1-20.9), recent arrest (AOR = 4.1, 95% CI: 1.2-14.8), and recent consistent condom use (AOR 1.1; 95% CI: 1.0-1.3). Women who exchanged sex exhibited heightened social and structural vulnerability and substance use. These data demonstrate the need for further research examining the context of exchange sex among low-income women and synergies between substance use and HIV risk.

Quantum discord length is enhanced while entanglement length is not by introducing disorder in a spin chain.

PubMed

Sadhukhan, Debasis; Roy, Sudipto Singha; Rakshit, Debraj; Prabhu, R; Sen De, Aditi; Sen, Ujjwal

2016-01-01

Classical correlation functions of ground states typically decay exponentially and polynomially, respectively, for gapped and gapless short-range quantum spin systems. In such systems, entanglement decays exponentially even at the quantum critical points. However, quantum discord, an information-theoretic quantum correlation measure, survives long lattice distances. We investigate the effects of quenched disorder on quantum correlation lengths of quenched averaged entanglement and quantum discord, in the anisotropic XY and XYZ spin glass and random field chains. We find that there is virtually neither reduction nor enhancement in entanglement length while quantum discord length increases significantly with the introduction of the quenched disorder.

Lower airway dimensions in pediatric patients-A computed tomography study.

PubMed

Szelloe, Patricia; Weiss, Markus; Schraner, Thomas; Dave, Mital H

2017-10-01

The aim of this study was to obtain lower airway dimensions in children by means of computed tomography (CT). Chest CT scans from 195 pediatric patients (118 boys/77 girls) aged 0.04-15.99 years were analyzed. Tracheal and bronchial lengths, anterior-posterior and lateral diameters, as well as cross-sectional area were assessed at the following levels: mid trachea, right proximal and distal bronchus, proximal bronchus intermedius, and left proximal and distal bronchus. Mediastinal angles of tracheal bifurcation were measured. Data were analyzed by means of linear and polynomial regression plots. The strongest correlations were found between tracheal and bronchial diameters and age as well as between tracheal and bronchial lengths and body length. All measured airway parameters correlated poorly to body weight. Bronchial angles revealed no association with patient's age, body length, or weight. This comprehensive anatomical database of lower airway dimensions demonstrates that tracheal and bronchial diameters correlate better to age, and that tracheal and bronchial length correlate better to body length. All measured airway parameters correlated poorly to body weight. © 2017 John Wiley & Sons Ltd.

Analysis of the heat transfer in double and triple concentric tube heat exchangers

NASA Astrophysics Data System (ADS)

Rădulescu, S.; Negoiţă, L. I.; Onuţu, I.

2016-08-01

The tubular heat exchangers (shell and tube heat exchangers and concentric tube heat exchangers) represent an important category of equipment in the petroleum refineries and are used for heating, pre-heating, cooling, condensation and evaporation purposes. The paper presents results of analysis of the heat transfer to cool a petroleum product in two types of concentric tube heat exchangers: double and triple concentric tube heat exchangers. The cooling agent is water. The triple concentric tube heat exchanger is a modified constructive version of double concentric tube heat exchanger by adding an intermediate tube. This intermediate tube improves the heat transfer by increasing the heat area per unit length. The analysis of the heat transfer is made using experimental data obtained during the tests in a double and triple concentric tube heat exchanger. The flow rates of fluids, inlet and outlet temperatures of water and petroleum product are used in determining the performance of both heat exchangers. Principally, for both apparatus are calculated the overall heat transfer coefficients and the heat exchange surfaces. The presented results shows that triple concentric tube heat exchangers provide better heat transfer efficiencies compared to the double concentric tube heat exchangers.

Ue Project "cheap GSHPs": the Geoexchange Fieldlab

NASA Astrophysics Data System (ADS)

Galgaro, Antonio; Cultrera, Matteo; Dalla Santa, Giorgia; Bertermann, David; Muller, Johannes; De Carli, Michele; Emmi, Giuseppe; Zarrella, Angelo; Bernardi, Adriana; Di Tuccio, Maria; Vivarelli, Arianna; Pockelé, Luc; Mezzasalma, Giulia; Psyk, Mario; Righini, Davide; Bernini, Michele

2017-04-01

The CHEAP - GSHPs Horizon 2020 project (No. 657982) focuses on the development of more efficient and safe shallow geothermal systems and the reduction of time consuming and installation costs. One of its most important objectives is the development of the design of new coaxial steel GSHEs and of newly designed helical heat basket type GSHE by means of innovative installation methodologies and drilling machines. For this purpose, in Molinella test site (Bologna, Italy) several types of borehole heat exchangers have been built. The Molinella test site is the open-air laboratory where several types of ground heat exchangers, such as helical heat basket and double-U and coaxial probes, can be directly compared by means of GRT tests, cores thermal measurement, and optical fibers measurements. Moreover, in this test site, new drilling machines and techniques are being tested. Given a geological setting and thermal load, the heat exchange capacity of a ground heat exchanger depends on the used materials and probe dimensions (length, diameter and thickness). In Molinella, in an area of 300m2, 7 different probes are installed: 4 coaxial probes of different materials and different length (96 and 50m) and diameters of internal and external tubes, 2 heat baskets (15m length, different diameter and different pitch) and a traditional double-U (50 m length). The monitoring equipment is constituted by a piezometer 25m long, a monitoring point instrumented with a hybrid fibre optical cable 100m long, and a standard GRT device. The local stratigraphy is known from a 100m core sample, made on purpose. The lithological sequence is typical of a quaternary floodplain deposition environment, rich in silt and silty clay deposits, alternated with sandy layers. For all the main recognized layers, the thermal properties (conductivity and capacity) have been directly measured on the collected core samples on site in order to maintain their natural water content. The thermal exchange capacities of the tested GSHEs are directly detected both by comparing the GRT test results and by means of numerical analysis based on different modelling approaches. The Molinella test site is particularly remarkable for the possibility to directly compare the energetic efficiency of the tested GSHEs. The GRT results can be compared with the mathematical models outputs and with the thermal measurements directly performed on the sediments core samples. The coupling of traditional GRT and optical fibre temperature recording system allows sharing the data in order to obtain the thermal contribution of the different underground layers interested by the heat exchange processes. The Molinella test site therefore represents a very extraordinary possibility to improve the knowledge of thermal exchange processes in shallow geothermal systems.

Forecast in foreign exchange markets

NASA Astrophysics Data System (ADS)

Baviera, R.; Pasquini, M.; Serva, M.; Vergni, D.; Vulpiani, A.

2001-04-01

We perform a statistical study of weak efficiency in Deutschemark/US dollar exchange rates using high frequency data. The presence of correlations in the returns sequence implies the possibility of a statistical forecast of market behavior. We show the existence of correlations and how information theory can be relevant in this context.

Currency co-movement and network correlation structure of foreign exchange market

NASA Astrophysics Data System (ADS)

Mai, Yong; Chen, Huan; Zou, Jun-Zhong; Li, Sai-Ping

2018-02-01

We study the correlations of exchange rate volatility in the global foreign exchange(FX) market based on complex network graphs. Correlation matrices (CM) and the theoretical information flow method (Infomap) are employed to analyze the modular structure of the global foreign exchange network. The analysis demonstrates that there exist currency modules in the network, which is consistent with the geographical nature of currencies. The European and the East Asian currency modules in the FX network are most significant. We introduce a measure of the impact of individual currency based on its partial correlations with other currencies. We further incorporate an impact elimination method to filter out the impact of core nodes and construct subnetworks after the removal of these core nodes. The result reveals that (i) the US Dollar has prominent global influence on the FX market while the Euro has great impact on European currencies; (ii) the East Asian currency module is more strongly correlated than the European currency module. The strong correlation is a result of the strong co-movement of currencies in the region. The co-movement of currencies is further used to study the formation of international monetary bloc and the result is in good agreement with the consideration based on international trade.

Semiclassical theory for liquidlike behavior of the frustrated magnet Ca10Cr7O28

NASA Astrophysics Data System (ADS)

Biswas, Sounak; Damle, Kedar

2018-03-01

We identify the low energy effective Hamiltonian that is expected to describe the low temperature properties of the frustrated magnet Ca10Cr7O28 . Motivated by the fact that this effective Hamiltonian has S =3 /2 effective moments as its degrees of freedom, we use semiclassical spin-wave theory to study the T =0 physics of this effective model and argue that singular spin-wave fluctuations destabilize the spiral order favored by the exchange couplings of this effective Hamiltonian. We also use a combination of classical Monte-Carlo simulations and molecular dynamics, as well as analytical approximations, to study the physics at low, nonzero temperatures. The results of these nonzero temperature calculations capture the liquidlike structure factors observed in the temperature range accessed by recent experiments. Additionally, at still lower temperatures, they predict that a transition to nematic order in the bond energies reflects itself in the spin channel in the form of a crossover to a regime with large but finite correlation length for spiral spin correlations and a corresponding slowing down of spin dynamics.

A comparison of correlation-length estimation methods for the objective analysis of surface pollutants at Environment and Climate Change Canada.

PubMed

Ménard, Richard; Deshaies-Jacques, Martin; Gasset, Nicolas

2016-09-01

An objective analysis is one of the main components of data assimilation. By combining observations with the output of a predictive model we combine the best features of each source of information: the complete spatial and temporal coverage provided by models, with a close representation of the truth provided by observations. The process of combining observations with a model output is called an analysis. To produce an analysis requires the knowledge of observation and model errors, as well as its spatial correlation. This paper is devoted to the development of methods of estimation of these error variances and the characteristic length-scale of the model error correlation for its operational use in the Canadian objective analysis system. We first argue in favor of using compact support correlation functions, and then introduce three estimation methods: the Hollingsworth-Lönnberg (HL) method in local and global form, the maximum likelihood method (ML), and the [Formula: see text] diagnostic method. We perform one-dimensional (1D) simulation studies where the error variance and true correlation length are known, and perform an estimation of both error variances and correlation length where both are non-uniform. We show that a local version of the HL method can capture accurately the error variances and correlation length at each observation site, provided that spatial variability is not too strong. However, the operational objective analysis requires only a single and globally valid correlation length. We examine whether any statistics of the local HL correlation lengths could be a useful estimate, or whether other global estimation methods such as by the global HL, ML, or [Formula: see text] should be used. We found in both 1D simulation and using real data that the ML method is able to capture physically significant aspects of the correlation length, while most other estimates give unphysical and larger length-scale values. This paper describes a proposed improvement of the objective analysis of surface pollutants at Environment and Climate Change Canada (formerly known as Environment Canada). Objective analyses are essentially surface maps of air pollutants that are obtained by combining observations with an air quality model output, and are thought to provide a complete and more accurate representation of the air quality. The highlight of this study is an analysis of methods to estimate the model (or background) error correlation length-scale. The error statistics are an important and critical component to the analysis scheme.

Cross-sample entropy of foreign exchange time series

NASA Astrophysics Data System (ADS)

Liu, Li-Zhi; Qian, Xi-Yuan; Lu, Heng-Yao

2010-11-01

The correlation of foreign exchange rates in currency markets is investigated based on the empirical data of DKK/USD, NOK/USD, CAD/USD, JPY/USD, KRW/USD, SGD/USD, THB/USD and TWD/USD for a period from 1995 to 2002. Cross-SampEn (cross-sample entropy) method is used to compare the returns of every two exchange rate time series to assess their degree of asynchrony. The calculation method of confidence interval of SampEn is extended and applied to cross-SampEn. The cross-SampEn and its confidence interval for every two of the exchange rate time series in periods 1995-1998 (before the Asian currency crisis) and 1999-2002 (after the Asian currency crisis) are calculated. The results show that the cross-SampEn of every two of these exchange rates becomes higher after the Asian currency crisis, indicating a higher asynchrony between the exchange rates. Especially for Singapore, Thailand and Taiwan, the cross-SampEn values after the Asian currency crisis are significantly higher than those before the Asian currency crisis. Comparison with the correlation coefficient shows that cross-SampEn is superior to describe the correlation between time series.

Electron correlation and the self-interaction error of density functional theory

NASA Astrophysics Data System (ADS)

Polo, Victor; Kraka, Elfi; Cremer, Dieter

The self-interaction error (SIE) of commonly used DFT functionals has been systematically investigated by comparing the electron density distribution ρ( r ) generated by self-interaction corrected DFT (SIC-DFT) with a series of reference densities obtained by DFT or wavefunction theory (WFT) methods that cover typical electron correlation effects. Although the SIE of GGA functionals is considerably smaller than that of LDA functionals, it has significant consequences for the coverage of electron correlation effects at the DFT level of theory. The exchange SIE mimics long range (non-dynamic) pair correlation effects, and is responsible for the fact that the electron density of DFT exchange-only calculations resembles often that of MP4, MP2 or even CCSD(T) calculations. Changes in the electron density caused by SICDFT exchange are comparable with those that are associated with HF exchange. Correlation functionals contract the density towards the bond and the valence region, thus taking negative charge out of the van der Waals region where these effects are exaggerated by the influence of the SIE of the correlation functional. Hence, SIC-DFT leads in total to a relatively strong redistribution of negative charge from van der Waals, non-bonding, and valence regions of heavy atoms to the bond regions. These changes, although much stronger, resemble those obtained when comparing the densities of hybrid functionals such as B3LYP with the corresponding GGA functional BLYP. Hence, the balanced mixing of local and non-local exchange and correlation effects as it is achieved by hybrid functionals mimics SIC-DFT and can be considered as an economic way to include some SIC into standard DFT. However, the investigation shows also that the SIC-DFT description of molecules is unreliable because the standard functionals used were optimized for DFT including the SIE.

Investigation of Readout RF Pulse Impact on the Chemical Exchange Saturation Transfer Spectrum

PubMed Central

Huang, Sheng-Min; Jan, Meei-Ling; Liang, Hsin-Chin; Chang, Chia-Hao; Wu, Yi-Chun; Tsai, Shang-Yueh; Wang, Fu-Nien

2015-01-01

Chemical exchange saturation transfer magnetic resonance imaging (CEST-MRI) is capable of both microenvironment and molecular imaging. The optimization of scanning parameters is important since the CEST effect is sensitive to factors such as saturation power and field homogeneity. The aim of this study was to determine if the CEST effect would be altered by changing the length of readout RF pulses. Both theoretical computer simulation and phantom experiments were performed to examine the influence of readout RF pulses. Our results showed that the length of readout RF pulses has unremarkable impact on the Z-spectrum and CEST effect in both computer simulation and phantom experiment. Moreover, we demonstrated that multiple refocusing RF pulses used in rapid acquisition with relaxation enhancement (RARE) sequence induced no obvious saturation transfer contrast. Therefore, readout RF pulse has negligible effect on CEST Z-spectrum and the optimization of readout RF pulse length can be disregarded in CEST imaging protocol. PMID:26455576

Different behaviour-body length correlations in two populations of juvenile three-spined stickleback (Gasterosteus aculeatus).

PubMed

De Winter, Gunnar; Martins, Henrique Ramalho; Trovo, Rafael Arnoni; Chapman, Ben B

2016-01-01

Behavioural variation among individuals has received a lot of attention by behavioural ecologists in the past few years. Its causes and consequences are becoming vast areas of research. The origin and maintenance of individual variation in behaviour within and among populations is affected by many facets of the biotic and abiotic environment. Here, two populations of lab-reared juvenile three-spined sticklebacks (Gasterosteus aculeatus) are tested for three behaviours (boldness, exploration, and sociability). Given the identical rearing conditions, the only difference between these populations is the parental habitat. In both populations, correlations between behaviour and body length are found. Interestingly, these differ between the populations. In one population body length was negatively correlated with exploratory behaviour, while in the other one body length correlated negatively with sociability. Considering the identical environment these juvenile fish were exposed to, these findings suggest a potential (epi)genetic foundation for these correlations and shows that, in three-spined sticklebacks, the proximate basis for correlations between body length and behaviour appears quite malleable. Copyright © 2015 Elsevier B.V. All rights reserved.

Multicomponent density functional theory embedding formulation.

PubMed

Culpitt, Tanner; Brorsen, Kurt R; Pak, Michael V; Hammes-Schiffer, Sharon

2016-07-28

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF(-) molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

Multicomponent density functional theory embedding formulation

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

Culpitt, Tanner; Brorsen, Kurt R.; Pak, Michael V.

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density ismore » separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF{sup −} molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.« less

An anthropometric study to evaluate the correlation between the occlusal vertical dimension and length of the thumb.

PubMed

Basnet, Bishal Babu; Parajuli, Prakash Kumar; Singh, Raj Kumar; Suwal, Pramita; Shrestha, Pragya; Baral, Dharanidhar

2015-01-01

Establishment of proper occlusal vertical dimension (OVD) is one of the important tasks for successful prosthodontic therapy. An ideal method for determining OVD in terms of cost, time, and instrument requirements has been sought in prosthodontics by various investigators. However, no such single method has been formulated. In the current anthropometric study, the relationship of the length of the thumb to the OVD was tested in two ethnic groups of Nepal, Aryans, and Mongoloids. The result of this study can be useful in determining proper OVD in edentulous patients. The primary aim of the present study was to evaluate the correlation between the length of the thumb and OVD in Aryan and Mongoloid ethnic groups. The secondary aim was to compare the correlation between OVD and other anatomic measurements (eye-ear distance and pupil-to-rima oris distance) in these ethnicities. The OVD, thumb length, eye-ear distance and distance between pupil of eye and rima oris were measured in a total of 500 adult dentulous volunteers. The correlation between OVD and thumb length as well as other anatomic measurements was checked with Pearson's product moment correlation coefficient. Linear regression analysis was performed to determine the relationship of OVD to the length of the thumb. The thumb length was significantly (P≤0.05) correlated with strong and positive values (Pearson's coefficient =0.874 in the whole population, 0.826 in Aryans, and 0.944 in Mongoloids). Regression analysis showed that thumb length was significantly related to OVD in both ethnic groups. Within the limitations of the present study, the result implies that thumb length can be used as an adjunct for establishing OVD in the edentulous patients.

Correlation between Visible Length of the Iris and the Length of the Maxillary Central Incisor Using Digital Image Analysis- A Pilot Study.

PubMed

Rohini; Hemalatha; Chander, Gopi Naveen; Anitha, Kuttae Viswanathan

2017-02-01

Complete denture therapy is one such modality where science and art goes hand in hand. Selection of artificial teeth for completely edentulous patients is not easy in the absence of pre extraction records, because till date concrete guidelines do not exist. The purpose of this study was to determine if a correlation existed between the visible length of the iris and the length of the maxillary central incisor to potentially provide a guide for teeth selection. A total of 20 Indian dental students consented to participate in the pilot study. Standardized digital images of the face revealing the eyes and component of teeth on smiling was captured using a digital camera. The digital measurements of the visible iris length (medial aperture height, tangential to iris) and the length of the maxillary central incisor from the zenith to the incisal edge were analysed using Adobe Photoshop creative cloud software. The data was statistically evaluated and results were tabulated. Karl Pearson's Coefficient of Correlation was utilized to detect if any association existed between the two variables. The mean value of length of central incisor was 10.39 mm and the mean value of the visible length of iris was found to be 12.9 mm. A Pearson correlation analysis revealed an r-value <0.3 indicating minimal association between the two variables with a p-value >0.01 (.322). On inference, the correlation between the visible iris length and that of maxillary central incisor were unable to produce a strong positive statistical association. However, an association factor between the two has been obtained. Deduction of 2.5 mm from the dimension of visible iris length will help in attaining the length of artificial maxillary central incisor tooth.

Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory.

PubMed

Vikramaditya, Talapunur; Lin, Shiang-Tai

2017-06-05

Accurate determination of ionization potentials (IPs), electron affinities (EAs), fundamental gaps (FGs), and HOMO, LUMO energy levels of organic molecules play an important role in modeling and predicting the efficiencies of organic photovoltaics, OLEDs etc. In this work, we investigate the effects of Hartree Fock (HF) Exchange, correlation energy, and long range corrections in predicting IP and EA in Hybrid Functionals. We observe increase in percentage of HF exchange results in increase of IPs and decrease in EAs. Contrary to the general expectations inclusion of both HF exchange and correlation energy (from the second order perturbation theory MP2) leads to poor prediction. Range separated Hybrid Functionals are found to be more reliable among various DFT Functionals investigated. DFT Functionals predict accurate IPs whereas post HF methods predict accurate EAs. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.

PubMed

Tao, Jianmin; Mo, Yuxiang

2016-08-12

Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals.

Exchange and correlation energies in silicene illuminated by circularly polarized light

NASA Astrophysics Data System (ADS)

Iurov, Andrii; Gumbs, Godfrey; Huang, Danhong

2017-05-01

Both the exchange and correlation energies due to Coulomb and spin-orbit interactions in a monolayer silicene with a buckled honeycomb lattice are calculated. We use Lindhard formalism for the polarizability. Many-body effects in such Dirac-like materials are studied with an emphasis on the influence of on-site potential difference ? between two sublattices. Our calculations have shown that the presence of an energy bandgap ? leads to a reduced exchange energy, which has some potential applications, such as, tunability of entanglement of electrons for quantum information devices. Since silicene acquires two energy gaps associated with up- and down-pseudospin, we can adjust its electronic properties in a wider range by varying these two bandgaps as compared to graphene. Another way to tune silicene electronic properties is through impurity doping. Our numerical results demonstrate the dependence of exchange and correlation energies on the energy bandgaps, doping and temperature under circularly polarized light.

Resonant charge exchange for H-H+ in Debye plasmas

NASA Astrophysics Data System (ADS)

Laricchiuta, Annarita; Colonna, Gianpiero; Capitelli, Mario; Kosarim, Alexander; Smirnov, Boris M.

2017-11-01

The dynamics of resonant charge exchange in proton-hydrogen collisions embedded in plasma is investigated in the framework of the asymptotic approach, modified to account for the effect of Debye-Hückel screening in particle interactions. The cross sections exhibit a marked dependence on the Debye length in regimes of severe plasma confinement. Processes involving excited states H( n)-H+ are also discussed.

Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation

DOE PAGES

Smith, J. C.; Pribram-Jones, A.; Burke, K.

2016-06-14

Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard dimer, we calculate the exact many-body energies and the exact Mermin-Kohn-Sham functionals for this system and extract the exact XC free energy. For moderate temperatures and weak correlation, we find this approximation to be excellent. Here we extract various exact free-energy correlation components and the exact adiabatic connection formula.

Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation

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

Smith, J. C.; Pribram-Jones, A.; Burke, K.

Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard dimer, we calculate the exact many-body energies and the exact Mermin-Kohn-Sham functionals for this system and extract the exact XC free energy. For moderate temperatures and weak correlation, we find this approximation to be excellent. Here we extract various exact free-energy correlation components and the exact adiabatic connection formula.

mBEEF-vdW: Robust fitting of error estimation density functionals

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

Lundgaard, Keld T.; Wellendorff, Jess; Voss, Johannes

Here, we propose a general-purpose semilocal/nonlocal exchange-correlation functional approximation, named mBEEF-vdW. The exchange is a meta generalized gradient approximation, and the correlation is a semilocal and nonlocal mixture, with the Rutgers-Chalmers approximation for van der Waals (vdW) forces. The functional is fitted within the Bayesian error estimation functional (BEEF) framework. We improve the previously used fitting procedures by introducing a robust MM-estimator based loss function, reducing the sensitivity to outliers in the datasets. To more reliably determine the optimal model complexity, we furthermore introduce a generalization of the bootstrap 0.632 estimator with hierarchical bootstrap sampling and geometric mean estimator overmore » the training datasets. Using this estimator, we show that the robust loss function leads to a 10% improvement in the estimated prediction error over the previously used least-squares loss function. The mBEEF-vdW functional is benchmarked against popular density functional approximations over a wide range of datasets relevant for heterogeneous catalysis, including datasets that were not used for its training. Overall, we find that mBEEF-vdW has a higher general accuracy than competing popular functionals, and it is one of the best performing functionals on chemisorption systems, surface energies, lattice constants, and dispersion. We also show the potential-energy curve of graphene on the nickel(111) surface, where mBEEF-vdW matches the experimental binding length. mBEEF-vdW is currently available in gpaw and other density functional theory codes through Libxc, version 3.0.0.« less

mBEEF-vdW: Robust fitting of error estimation density functionals

DOE PAGES

Lundgaard, Keld T.; Wellendorff, Jess; Voss, Johannes; ...

2016-06-15

Here, we propose a general-purpose semilocal/nonlocal exchange-correlation functional approximation, named mBEEF-vdW. The exchange is a meta generalized gradient approximation, and the correlation is a semilocal and nonlocal mixture, with the Rutgers-Chalmers approximation for van der Waals (vdW) forces. The functional is fitted within the Bayesian error estimation functional (BEEF) framework. We improve the previously used fitting procedures by introducing a robust MM-estimator based loss function, reducing the sensitivity to outliers in the datasets. To more reliably determine the optimal model complexity, we furthermore introduce a generalization of the bootstrap 0.632 estimator with hierarchical bootstrap sampling and geometric mean estimator overmore » the training datasets. Using this estimator, we show that the robust loss function leads to a 10% improvement in the estimated prediction error over the previously used least-squares loss function. The mBEEF-vdW functional is benchmarked against popular density functional approximations over a wide range of datasets relevant for heterogeneous catalysis, including datasets that were not used for its training. Overall, we find that mBEEF-vdW has a higher general accuracy than competing popular functionals, and it is one of the best performing functionals on chemisorption systems, surface energies, lattice constants, and dispersion. We also show the potential-energy curve of graphene on the nickel(111) surface, where mBEEF-vdW matches the experimental binding length. mBEEF-vdW is currently available in gpaw and other density functional theory codes through Libxc, version 3.0.0.« less

Sequential /sup 1/H NMR assignments and secondary structure of hen egg white lysozyme in solution

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

Redfield, C.; Dobson, C.M.

Assignments of /sup 1/H NMR resonances of 121 of the 129 residues of hen egg white lysozyme have been obtained by sequence-specific methods. Spin systems were identified with phase-sensitive two-dimensional (2-D) correlated spectroscopy and single and double relayed coherence transfer spectroscopy. For key types of amino acid residues, particularly alanine, threonine, valine, and glycine, complete spin systems were identified. For other residues a less complete definition of the spin system was found to be adequate for the purpose of sequential assignment. Sequence-specific assignments were achieved by phase-sensitive 2-D nuclear Overhauser enhancement spectroscopy (NOESY). Exploitation of the wide range of hydrogenmore » exchange rates found in lysozyme was a useful approach to overcoming the problem of spectral overlap. The sequential assignment was built up from 21 peptide segments ranging in length from 2 to 13 residues. The NOESY spectra were also used to provide information about the secondary structure of the protein in solution. Three helical regions and two regions of ..beta..-sheet were identified from the NOESY data; these regions are identical with those found in the X-ray structure of hen lysozyme. Slowly exchanging amides are generally correlated with hydrogen bonding identified in the X-ray structure; a number of exceptions to this general trend were, however, found. The results presented in this paper indicate that highly detailed information can be obtained from 2-D NMR spectra of a protein that is significantly larger than those studies previously.« less

Oscillatory wake potential with exchange-correlation in plasmas

NASA Astrophysics Data System (ADS)

Khan, Arroj A.; Zeba, I.; Jamil, M.; Asif, M.

2017-12-01

The oscillatory wake potential of a moving test charge is studied in quantum dusty plasmas. The plasma system consisting of electrons, ions and negatively charged dust species is embedded in an ambient magnetic field. The modified equation of dispersion is derived using a Quantum Hydrodynamic Model for magnetized plasmas. The quantum effects are inculcated through Fermi degenerate pressure, the tunneling effect and exchange-correlation effects. The study of oscillatory wake is important to know the existence of silence zones in space and astrophysical objects as well as for crystal formation. The graphical description of the potential depicts the significance of the exchange and correlation effects arising through spin and other variables on the wake potential.

High-performance liquid chromatography purification of homogenous-length RNA produced by trans cleavage with a hammerhead ribozyme.

PubMed Central

Shields, T P; Mollova, E; Ste Marie, L; Hansen, M R; Pardi, A

1999-01-01

An improved method is presented for the preparation of milligram quantities of homogenous-length RNAs suitable for nuclear magnetic resonance or X-ray crystallographic structural studies. Heterogeneous-length RNA transcripts are processed with a hammerhead ribozyme to yield homogenous-length products that are then readily purified by anion exchange high-performance liquid chromatography. This procedure eliminates the need for denaturing polyacrylamide gel electrophoresis, which is the most laborious step in the standard procedure for large-scale production of RNA by in vitro transcription. The hammerhead processing of the heterogeneous-length RNA transcripts also substantially improves the overall yield and purity of the desired RNA product. PMID:10496226

Selection during crop diversification involves correlated evolution of the circadian clock and ecophysiological traits in Brassica rapa.

PubMed

Yarkhunova, Yulia; Edwards, Christine E; Ewers, Brent E; Baker, Robert L; Aston, Timothy Llewellyn; McClung, C Robertson; Lou, Ping; Weinig, Cynthia

2016-04-01

Crop selection often leads to dramatic morphological diversification, in which allocation to the harvestable component increases. Shifts in allocation are predicted to impact (as well as rely on) physiological traits; yet, little is known about the evolution of gas exchange and related anatomical features during crop diversification. In Brassica rapa, we tested for physiological differentiation among three crop morphotypes (leaf, turnip, and oilseed) and for correlated evolution of circadian, gas exchange, and phenological traits. We also examined internal and surficial leaf anatomical features and biochemical limits to photosynthesis. Crop types differed in gas exchange; oilseed varieties had higher net carbon assimilation and stomatal conductance relative to vegetable types. Phylogenetically independent contrasts indicated correlated evolution between circadian traits and both gas exchange and biomass accumulation; shifts to shorter circadian period (closer to 24 h) between phylogenetic nodes are associated with higher stomatal conductance, lower photosynthetic rate (when CO2 supply is factored out), and lower biomass accumulation. Crop type differences in gas exchange are also associated with stomatal density, epidermal thickness, numbers of palisade layers, and biochemical limits to photosynthesis. Brassica crop diversification involves correlated evolution of circadian and physiological traits, which is potentially relevant to understanding mechanistic targets for crop improvement. © 2015 The Authors. New Phytologist © 2015 New Phytologist Trust.

Relationship between hamstring length and gluteus maximus strength with and without normalization.

PubMed

Lee, Dong-Kyu; Oh, Jae-Seop

2018-01-01

[Purpose] This study assessed the relationship between hamstring length and gluteus maximus (GM) strength with and without normalization by body weight and height. [Subjects and Methods] In total, 34 healthy male subjects volunteered for this study. To measure GM strength, subjects performed maximal hip joint extension with the knee joints flexed to 90° in the prone position. GM strength was normalized for body weight and height. [Results] GM strength with normalization was positively correlated with hamstring length, whereas GM strength without normalization was negatively correlated with hamstring length. [Conclusion] The normalization of GM strength by body weight and height has the potential to lead to more appropriate conclusions and interpretations about its correlation with hamstring length. Hamstring length may be related to GM strength.

Linking scales in sea ice mechanics

PubMed Central

Weiss, Jérôme; Dansereau, Véronique

2017-01-01

Mechanics plays a key role in the evolution of the sea ice cover through its control on drift, on momentum and thermal energy exchanges between the polar oceans and the atmosphere along cracks and faults, and on ice thickness distribution through opening and ridging processes. At the local scale, a significant variability of the mechanical strength is associated with the microstructural heterogeneity of saline ice, however characterized by a small correlation length, below the ice thickness scale. Conversely, the sea ice mechanical fields (velocity, strain and stress) are characterized by long-ranged (more than 1000 km) and long-lasting (approx. few months) correlations. The associated space and time scaling laws are the signature of the brittle character of sea ice mechanics, with deformation resulting from a multi-scale accumulation of episodic fracturing and faulting events. To translate the short-range-correlated disorder on strength into long-range-correlated mechanical fields, several key ingredients are identified: long-ranged elastic interactions, slow driving conditions, a slow viscous-like relaxation of elastic stresses and a restoring/healing mechanism. These ingredients constrained the development of a new continuum mechanics modelling framework for the sea ice cover, called Maxwell–elasto-brittle. Idealized simulations without advection demonstrate that this rheological framework reproduces the main characteristics of sea ice mechanics, including anisotropy, spatial localization and intermittency, as well as the associated scaling laws. This article is part of the themed issue ‘Microdynamics of ice’. PMID:28025300

Linking scales in sea ice mechanics

NASA Astrophysics Data System (ADS)

Weiss, Jérôme; Dansereau, Véronique

2017-02-01

Mechanics plays a key role in the evolution of the sea ice cover through its control on drift, on momentum and thermal energy exchanges between the polar oceans and the atmosphere along cracks and faults, and on ice thickness distribution through opening and ridging processes. At the local scale, a significant variability of the mechanical strength is associated with the microstructural heterogeneity of saline ice, however characterized by a small correlation length, below the ice thickness scale. Conversely, the sea ice mechanical fields (velocity, strain and stress) are characterized by long-ranged (more than 1000 km) and long-lasting (approx. few months) correlations. The associated space and time scaling laws are the signature of the brittle character of sea ice mechanics, with deformation resulting from a multi-scale accumulation of episodic fracturing and faulting events. To translate the short-range-correlated disorder on strength into long-range-correlated mechanical fields, several key ingredients are identified: long-ranged elastic interactions, slow driving conditions, a slow viscous-like relaxation of elastic stresses and a restoring/healing mechanism. These ingredients constrained the development of a new continuum mechanics modelling framework for the sea ice cover, called Maxwell-elasto-brittle. Idealized simulations without advection demonstrate that this rheological framework reproduces the main characteristics of sea ice mechanics, including anisotropy, spatial localization and intermittency, as well as the associated scaling laws. This article is part of the themed issue 'Microdynamics of ice'.

Systematic correlation of environmental exposure and physiological and self-reported behaviour factors with leukocyte telomere length.

PubMed

Patel, Chirag J; Manrai, Arjun K; Corona, Erik; Kohane, Isaac S

2017-02-01

It is hypothesized that environmental exposures and behaviour influence telomere length, an indicator of cellular ageing. We systematically associated 461 indicators of environmental exposures, physiology and self-reported behaviour with telomere length in data from the US National Health and Nutrition Examination Survey (NHANES) in 1999-2002. Further, we tested whether factors identified in the NHANES participants are also correlated with gene expression of telomere length modifying genes. We correlated 461 environmental exposures, behaviours and clinical variables with telomere length, using survey-weighted linear regression, adjusting for sex, age, age squared, race/ethnicity, poverty level, education and born outside the USA, and estimated the false discovery rate to adjust for multiple hypotheses. We conducted a secondary analysis to investigate the correlation between identified environmental variables and gene expression levels of telomere-associated genes in publicly available gene expression samples. After correlating 461 variables with telomere length, we found 22 variables significantly associated with telomere length after adjustment for multiple hypotheses. Of these varaibales, 14 were associated with longer telomeres, including biomarkers of polychlorinated biphenyls([PCBs; 0.1 to 0.2 standard deviation (SD) increase for 1 SD increase in PCB level, P  < 0.002] and a form of vitamin A, retinyl stearate. Eight variables associated with shorter telomeres, including biomarkers of cadmium, C-reactive protein and lack of physical activity. We could not conclude that PCBs are correlated with gene expression of telomere-associated genes. Both environmental exposures and chronic disease-related risk factors may play a role in telomere length. Our secondary analysis found no evidence of association between PCBs/smoking and gene expression of telomere-associated genes. All correlations between exposures, behaviours and clinical factors and changes in telomere length will require further investigation regarding biological influence of exposure. © The Author 2016. Published by Oxford University Press on behalf of the International Epidemiological Association

Correlation between Gini index and mobility in a stochastic kinetic model of economic exchange

NASA Astrophysics Data System (ADS)

Bertotti, Maria Letizia; Chattopadhyay, Amit K.; Modanese, Giovanni

Starting from a class of stochastically driven kinetic models of economic exchange, here we present results highlighting the correlation of the Gini inequality index with the social mobility rate, close to dynamical equilibrium. Except for the "canonical-additive case", our numerical results consistently indicate negative values of the correlation coefficient, in agreement with empirical evidence. This confirms that growing inequality is not conducive to social mobility which then requires an "external source" to sustain its dynamics. On the other hand, the sign of the correlation between inequality and total income in the canonical ensemble depends on the way wealth enters or leaves the system. At a technical level, the approach involves a generalization of a stochastic dynamical system formulation, that further paves the way for a probabilistic formulation of perturbed economic exchange models.

Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and Delocalization.

PubMed

Phillips, Jordan J; Peralta, Juan E

2012-09-11

Semilocal functionals generally yield poor magnetic exchange couplings for transition-metal complexes, typically overpredicting in magnitude the experimental values. Here we show that semilocal functionals evaluated nonself-consistently on densities from hybrid functionals can yield magnetic exchange couplings that are greatly improved with respect to their self-consistent semilocal values. Furthermore, when semilocal functionals are evaluated nonself-consistently on densities from a "half-and-half" hybrid, their errors with respect to experimental values can actually be lower than those from self-consistent calculations with standard hybrid functionals such as PBEh or TPSSh. This illustrates that despite their notoriously poor performance for exchange couplings, for many systems semilocal functionals are capable of delivering accurate relative energies for magnetic states provided that their electron delocalization error is corrected. However, while self-consistent calculations with hybrids uniformly improve results for all complexes, evaluating nonself-consistently with semilocal functionals does not give a balanced improvement for both ferro- and antiferromagnetically coupled complexes, indicating that there is more at play with the overestimation problem than simply the delocalization error. Additionally, we show that for some systems the conventional wisdom of choice of exchange functional mattering more than correlation does not hold. This combined with results from the nonself-consistent calculations provide insight on clarifying the relative roles of exchange, correlation, and delocalization in calculating magnetic exchange coupling parameters in Kohn-Sham Density Functional Theory.

Semilocal density functional obeying a strongly tightened bound for exchange

PubMed Central

Sun, Jianwei; Perdew, John P.; Ruzsinszky, Adrienn

2015-01-01

Because of its useful accuracy and efficiency, density functional theory (DFT) is one of the most widely used electronic structure theories in physics, materials science, and chemistry. Only the exchange-correlation energy is unknown, and needs to be approximated in practice. Exact constraints provide useful information about this functional. The local spin-density approximation (LSDA) was the first constraint-based density functional. The Lieb–Oxford lower bound on the exchange-correlation energy for any density is another constraint that plays an important role in the development of generalized gradient approximations (GGAs) and meta-GGAs. Recently, a strongly and optimally tightened lower bound on the exchange energy was proved for one- and two-electron densities, and conjectured for all densities. In this article, we present a realistic “meta-GGA made very simple” (MGGA-MVS) for exchange that respects this optimal bound, which no previous beyond-LSDA approximation satisfies. This constraint might have been expected to worsen predicted thermochemical properties, but in fact they are improved over those of the Perdew–Burke–Ernzerhof GGA, which has nearly the same correlation part. MVS exchange is however radically different from that of other GGAs and meta-GGAs. Its exchange enhancement factor has a very strong dependence upon the orbital kinetic energy density, which permits accurate energies even with the drastically tightened bound. When this nonempirical MVS meta-GGA is hybridized with 25% of exact exchange, the resulting global hybrid gives excellent predictions for atomization energies, reaction barriers, and weak interactions of molecules. PMID:25561554

Semilocal density functional obeying a strongly tightened bound for exchange.

PubMed

Sun, Jianwei; Perdew, John P; Ruzsinszky, Adrienn

2015-01-20

Because of its useful accuracy and efficiency, density functional theory (DFT) is one of the most widely used electronic structure theories in physics, materials science, and chemistry. Only the exchange-correlation energy is unknown, and needs to be approximated in practice. Exact constraints provide useful information about this functional. The local spin-density approximation (LSDA) was the first constraint-based density functional. The Lieb-Oxford lower bound on the exchange-correlation energy for any density is another constraint that plays an important role in the development of generalized gradient approximations (GGAs) and meta-GGAs. Recently, a strongly and optimally tightened lower bound on the exchange energy was proved for one- and two-electron densities, and conjectured for all densities. In this article, we present a realistic "meta-GGA made very simple" (MGGA-MVS) for exchange that respects this optimal bound, which no previous beyond-LSDA approximation satisfies. This constraint might have been expected to worsen predicted thermochemical properties, but in fact they are improved over those of the Perdew-Burke-Ernzerhof GGA, which has nearly the same correlation part. MVS exchange is however radically different from that of other GGAs and meta-GGAs. Its exchange enhancement factor has a very strong dependence upon the orbital kinetic energy density, which permits accurate energies even with the drastically tightened bound. When this nonempirical MVS meta-GGA is hybridized with 25% of exact exchange, the resulting global hybrid gives excellent predictions for atomization energies, reaction barriers, and weak interactions of molecules.

Mineralogic correlates of fibrosis in chrysotile miners and millers

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

Churg, A.; Wright, J.L.; DePaoli, L.

1989-04-01

To determine which mineral parameters relate to the degree of interstitial fibrosis (asbestosis) in the lungs of chrysotile miners and millers, we graded fibrosis histologically and correlated fibrosis grades with fiber concentration and mean size, surface area, and mass, and with total sample fiber length, surface area, and mass in 21 cases. A positive correlation of fibrosis grade with tremolite concentration and a lesser correlation with chrysotile concentration was found for whole lungs, specific sites within lungs, and, for tremolite, single microscopic fields. No correlations were found for measures of chrysotile fiber size, surface area, or mass, but tremolite meanmore » fiber length, aspect ratio, and surface area were, surprisingly, negatively correlated with fibrosis grade. Measures based on total rather than on mean case or site parameters failed to show correlations with fibrosis. We conclude that: (1) degree of pulmonary fibrosis reflects fiber concentration at both a bulk and a microscopic level; (2) mean fiber length and parameters related to mean fiber length also correlate with fibrosis grade, but, contrary to predictions from animal studies, this correlation is negative, suggesting that short fibers may be more important in the genesis of pulmonary fibrosis than is commonly believed; (3) there is no evidence that parameters such as total fiber length, surface area, or mass provide predictors of degree of fibrosis.« less

Extent of Fock-exchange mixing for a hybrid van der Waals density functional?

NASA Astrophysics Data System (ADS)

Jiao, Yang; Schröder, Elsebeth; Hyldgaard, Per

2018-05-01

The vdW-DF-cx0 exchange-correlation hybrid design [K. Berland et al., J. Chem. Phys. 146, 234106 (2017)] has a truly nonlocal correlation component and aims to facilitate concurrent descriptions of both covalent and non-covalent molecular interactions. The vdW-DF-cx0 design mixes a fixed ratio, a, of the Fock exchange into the consistent-exchange van der Waals density functional, vdW-DF-cx [K. Berland and P. Hyldgaard, Phys. Rev. B 89, 035412 (2014)]. The mixing value a is sometimes taken as a semi-empirical parameter in hybrid formulations. Here, instead, we assert a plausible optimum average a value for the vdW-DF-cx0 design from a formal analysis; A new, independent determination of the mixing a is necessary since the Becke fit [A. D. Becke, J. Chem. Phys. 98, 5648 (1993)], yielding a' = 0.2, is restricted to semilocal correlation and does not reflect non-covalent interactions. To proceed, we adapt the so-called two-legged hybrid construction [K. Burke et al., Chem. Phys. Lett. 265, 115 (1997)] to a starting point in the vdW-DF-cx functional. For our approach, termed vdW-DF-tlh, we estimate the properties of the adiabatic-connection specification of the exact exchange-correlation functional, by combining calculations of the Fock exchange and of the coupling-constant variation in vdW-DF-cx. We find that such vdW-DF-tlh hybrid constructions yield accurate characterizations of molecular interactions (even if they lack self-consistency). The accuracy motivates trust in the vdW-DF-tlh determination of system-specific values of the Fock-exchange mixing. We find that an average value a' = 0.2 best characterizes the vdW-DF-tlh description of covalent and non-covalent interactions, although there exists some scatter. This finding suggests that the original Becke value, a' = 0.2, also represents an optimal average Fock-exchange mixing for the new, truly nonlocal-correlation hybrids. To enable self-consistent calculations, we furthermore define and test a zero-parameter hybrid functional vdW-DF-cx0p (having fixed mixing a' = 0.2) and document that this truly nonlocal correlation hybrid works for general molecular interactions (at reference and at relaxed geometries). It is encouraging that the vdW-DF-cx0p functional remains useful also for descriptions of some extended systems.

Performance optimization of a miniature Joule-Thomson cryocooler using numerical model

NASA Astrophysics Data System (ADS)

Ardhapurkar, P. M.; Atrey, M. D.

2014-09-01

The performance of a miniature Joule-Thomson cryocooler depends on the effectiveness of the heat exchanger. The heat exchanger used in such cryocooler is Hampson-type recuperative heat exchanger. The design of the efficient heat exchanger is crucial for the optimum performance of the cryocooler. In the present work, the heat exchanger is numerically simulated for the steady state conditions and the results are validated against the experimental data available from the literature. The area correction factor is identified for the calculation of effective heat transfer area which takes into account the effect of helical geometry. In order to get an optimum performance of the cryocoolers, operating parameters like mass flow rate, pressure and design parameters like heat exchanger length, helical diameter of coil, fin dimensions, fin density have to be identified. The present work systematically addresses this aspect of design for miniature J-T cryocooler.

On the exchange-hole model of London dispersion forces

NASA Astrophysics Data System (ADS)

Ángyán, János G.

2007-07-01

First-principles derivation is given for the heuristic exchange-hole model of London dispersion forces by Becke and Johnson [J. Chem. Phys. 122, 154104 (2005)]. A one-term approximation is used for the dynamic charge density response function, and it is shown that a central nonempirical ingredient of the approximate nonexpanded dispersion energy is the charge density autocorrelation function, a two-particle property, related to the exchange-correlation hole. In the framework of a dipolar approximation of the Coulomb interaction around the molecular origin, one obtains the so-called Salem-Tang-Karplus approximation to the C6 dispersion coefficient. Alternatively, by expanding the Coulomb interaction around the center of charge (centroid) of the exchange-correlation hole associated with each point in the molecular volume, a multicenter expansion is obtained around the centroids of electron localization domains, always in terms of the exchange-correlation hole. In order to get a formula analogous to that of Becke and Johnson, which involves the exchange-hole only, further assumptions are needed, related to the difficulties of obtaining the expectation value of a two-electron operator from a single determinant. Thus a connection could be established between the conventional fluctuating charge density model of London dispersion forces and the notion of the "exchange-hole dipole moment" shedding some light on the true nature of the approximations implicit in the Becke-Johnson model.

Can insertion length for a double-lumen endobronchial tube be predicted?

PubMed

Dyer, R A; Heijke, S A; Russell, W J; Bloch, M B; James, M F

2000-12-01

It has been suggested that the appropriate length of insertion for double-lumen tubes can be estimated by external measurement. This study examined the accuracy of external measurement in estimating the actual length of insertion required in 130 patients. It also examined the relationship between the length inserted and the patient's height in 126 patients and their weight in 125 patients. Although there was a fair correlation between the measured external length and the final inserted length (r = 0.61), the 95% confidence intervals of slope and intercept allowed a large variation and the prediction was too wide to be clinically useful. Height was reasonably well correlated with the final length (r = 0.51) but an equally wide 95% confidence interval rendered it of little clinical value. There was no correlation between weight and final tube length. It is concluded that external measurement alone is not adequate to predict a clinically acceptable position of the double-lumen tube.

Selection on bristle length has the ability to drive the evolution of male abdominal appendages in the sepsid fly Themira biloba.

PubMed

Herath, B; Dochtermann, N A; Johnson, J I; Leonard, Z; Bowsher, J H

2015-12-01

Many exaggerated and novel traits are strongly influenced by sexual selection. Although sexual selection is a powerful evolutionary force, underlying genetic interactions can constrain evolutionary outcomes. The relative strength of selection vs. constraint has been a matter of debate for the evolution of male abdominal appendages in sepsid flies. These abdominal appendages are involved in courtship and mating, but their function has not been directly tested. We performed mate choice experiments to determine whether sexual selection acts on abdominal appendages in the sepsid Themira biloba. We tested whether appendage bristle length influenced successful insemination by surgically trimming the bristles. Females paired with males that had shortened bristles laid only unfertilized eggs, indicating that long bristles are necessary for successful insemination. We also tested whether the evolution of bristle length was constrained by phenotypic correlations with other traits. Analyses of phenotypic covariation indicated that bristle length was highly correlated with other abdominal appendage traits, but was not correlated with abdominal sternite size. Thus, abdominal appendages are not exaggerated traits like many sexual ornaments, but vary independently from body size. At the same time, strong correlations between bristle length and appendage length suggest that selection on bristle length is likely to result in a correlated increase in appendage length. Bristle length is under sexual selection in T. biloba and has the potential to evolve independently from abdomen size. © 2015 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2015 European Society For Evolutionary Biology.

Theoretical and Experimental Study of Thermoacoustic Engines

DTIC Science & Technology

1991-12-31

possible. In particulbr, we have considered use of extruded ceramic monolithic catalyst supports (for example, the ceramic used in some automobile...approximation. Heat exchangers retaken r be of negligible thickness and thus not to affect near-standing wave phasing. The TAB (or snack ) of length d is assumed...Heat exchangers were parallel plates of copper and the TAE is a monolithic catalyst support extruded ceramic. 13 15 The two-microphone-technique

Turbulence and wave breaking effects on air-water gas exchange

PubMed

Boettcher; Fineberg; Lathrop

2000-08-28

We present an experimental characterization of the effects of turbulence and breaking gravity waves on air-water gas exchange in standing waves. We identify two regimes that govern aeration rates: turbulent transport when no wave breaking occurs and bubble dominated transport when wave breaking occurs. In both regimes, we correlate the qualitative changes in the aeration rate with corresponding changes in the wave dynamics. In the latter regime, the strongly enhanced aeration rate is correlated with measured acoustic emissions, indicating that bubble creation and dynamics dominate air-water exchange.

Radial flow heat exchanger

DOEpatents

Valenzuela, Javier

2001-01-01

A radial flow heat exchanger (20) having a plurality of first passages (24) for transporting a first fluid (25) and a plurality of second passages (26) for transporting a second fluid (27). The first and second passages are arranged in stacked, alternating relationship, are separated from one another by relatively thin plates (30) and (32), and surround a central axis (22). The thickness of the first and second passages are selected so that the first and second fluids, respectively, are transported with laminar flow through the passages. To enhance thermal energy transfer between first and second passages, the latter are arranged so each first passage is in thermal communication with an associated second passage along substantially its entire length, and vice versa with respect to the second passages. The heat exchangers may be stacked to achieve a modular heat exchange assembly (300). Certain heat exchangers in the assembly may be designed slightly differently than other heat exchangers to address changes in fluid properties during transport through the heat exchanger, so as to enhance overall thermal effectiveness of the assembly.

Heat exchanger for reactor core and the like

DOEpatents

Kaufman, Jay S.; Kissinger, John A.

1986-01-01

A compact bayonet tube type heat exchanger which finds particular application as an auxiliary heat exchanger for transfer of heat from a reactor gas coolant to a secondary fluid medium. The heat exchanger is supported within a vertical cavity in a reactor vessel intersected by a reactor coolant passage at its upper end and having a reactor coolant return duct spaced below the inlet passage. The heat exchanger includes a plurality of relatively short length bayonet type heat exchange tube assemblies adapted to pass a secondary fluid medium therethrough and supported by primary and secondary tube sheets which are releasibly supported in a manner to facilitate removal and inspection of the bayonet tube assemblies from an access area below the heat exchanger. Inner and outer shrouds extend circumferentially of the tube assemblies and cause the reactor coolant to flow downwardly internally of the shrouds over the tube bundle and exit through the lower end of the inner shroud for passage to the return duct in the reactor vessel.

Viscosity induced non-uniform flow in laminar flow heat exchangers

NASA Astrophysics Data System (ADS)

Putnam, G. R.; Rohsenow, W. M.

1985-05-01

Laminar flow heat exchangers which cool oil in noninterconnected parallel passages can experience nonuniform flows and a reduction in the effective heat exchanger coefficient in a range of Reynolds number which varies with tube length and diameter, tube wall temperature and fluid inlet temperature. The method of predicting the reduction in effective heat transfer coefficient and the range of Reynolds number over which these instabilities exist is presented for a particular oil, Mobil aviation oil 120. Included, also, is the prediction of the effect of radial viscosity variation on the constant property magnitudes of friction and heat transfer coefficient.

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

Hammond, Glenn Edward; Yang, Xiaofan; Song, Xuehang

The groundwater-surface water interaction zone (GSIZ) plays an important role in riverine and watershed ecosystems as the exchange of waters of variable composition and temperature (hydrologic exchange flows) stimulate microbial activity and associated biogeochemical reactions. Variable temporal and spatial scales of hydrologic exchange flows, heterogeneity of the subsurface environment, and complexity of biogeochemical reaction networks in the GSIZ present challenges to incorporation of fundamental process representations and model parameterization across a range of spatial scales (e.g. from pore-scale to field scale). This paper presents a novel hybrid multiscale simulation approach that couples hydrologic-biogeochemical (HBGC) processes between two distinct length scalesmore » of interest.« less

The Correlation between Angle Kappa and Ocular Biometry in Koreans

PubMed Central

Choi, Se Rang

2013-01-01

Purpose To investigate normative angle kappa data and to examine whether correlations exist between angle kappa and ocular biometric measurements (e.g., refractive error, axial length) and demographic features in Koreans. Methods Data from 436 eyes (213 males and 223 females) were analyzed in this study. The angle kappa was measured using Orbscan II. We used ocular biometric measurements, including refractive spherical equivalent, interpupillary distance and axial length, to investigate the correlations between angle kappa and ocular biometry. The IOL Master ver. 5.02 was used to obtain axial length. Results The mean patient age was 57.5 ± 12.0 years in males and 59.4 ± 12.4 years in females (p = 0.11). Angle kappa averaged 4.70 ± 2.70 degrees in men and 4.89 ± 2.14 degrees in women (p = 0.48). Axial length and spherical equivalent were correlated with angle kappa (r = -0.342 and r = 0.197, respectively). The correlation between axial length and spherical equivalent had a negative correlation (r = -0.540, p < 0.001). Conclusions Angle kappa increased with spherical equivalent and age. Thus, careful manipulation should be considered in older and hyperopic patients when planning refractive or strabismus surgery. PMID:24311927

[Ultrasonographic evaluation of the uterine cervix length remaining after LOOP-excision].

PubMed

Robert, A-L; Nicolas, F; Lavoué, V; Henno, S; Mesbah, H; Porée, P; Levêque, J

2014-04-01

To assess whether there is a correlation between the length of a conization specimen and the length of the cervix measured by vaginal ultrasonography after the operation Prospective observational study including patients less than 45 years with measurement of cervical length before and the day of the conization, and measuring the histological length of the specimen. Among the 40 patients enrolled, the average ultrasound measurements before conization was 26.9 mm (± 4.9 mm) against 18.1mm (± 4.4mm) after conization with a mean difference of 8.8mm (± 2.4mm) (difference statistically significant P<.0001). The extent of histological specimen was 9 mm (± 2.2mm) on average. A correlation between ultrasound and histological measurements with a correlation coefficient R=0.85 was found statistically significant (P<0.0001). Moreover, the rate of cervix length remove by loop-excision in our series is 33% (± 8.5%). A good correlation between the measurements of the specimen and the cervical ultrasound length before and after conization was found, as a significant reduction in cervical length after conization. The precise length of the specimen should be known in case of pregnancy and the prevention of prematurity due to conization rests on selected indications and efficient surgical technique. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

Unit and internal chain profiles of maca amylopectin.

PubMed

Zhang, Ling; Li, Guantian; Yao, Weirong; Zhu, Fan

2018-03-01

Unit chain length distributions of amylopectin and its φ, β-limit dextrins, which reflect amylopectin internal structure from three maca starches, were determined by high-performance anion-exchange chromatography with pulsed amperometric detection after debranching, and the samples were compared with maize starch. The amylopectins exhibited average chain lengths ranging from 16.72 to 17.16, with ranges of total internal chain length, external chain length, and internal chain length of the maca amylopectins at 12.49 to 13.68, 11.24 to 11.89, and 4.27 to 4.48. The average chain length, external chain length, internal chain length, and total internal chain length were comparable in three maca amylopectins. Amylopectins of the three maca genotypes studied here presented no significant differences in their unit chain length profiles, but did show significant differences in their internal chain profiles. Additional genetic variations between different maca genotypes need to be studied to provide unit- and internal chain profiles of maca amylopectin. Copyright © 2017. Published by Elsevier Ltd.

Phase and vortex correlations in superconducting Josephson-junction arrays at irrational magnetic frustration.

PubMed

Granato, Enzo

2008-07-11

Phase coherence and vortex order in a Josephson-junction array at irrational frustration are studied by extensive Monte Carlo simulations using the parallel-tempering method. A scaling analysis of the correlation length of phase variables in the full equilibrated system shows that the critical temperature vanishes with a power-law divergent correlation length and critical exponent nuph, in agreement with recent results from resistivity scaling analysis. A similar scaling analysis for vortex variables reveals a different critical exponent nuv, suggesting that there are two distinct correlation lengths associated with a decoupled zero-temperature phase transition.

Size dependence of spin-torque induced magnetic switching in CoFeB-based perpendicular magnetization tunnel junctions (invited)

NASA Astrophysics Data System (ADS)

Sun, J. Z.; Trouilloud, P. L.; Gajek, M. J.; Nowak, J.; Robertazzi, R. P.; Hu, G.; Abraham, D. W.; Gaidis, M. C.; Brown, S. L.; O'Sullivan, E. J.; Gallagher, W. J.; Worledge, D. C.

2012-04-01

CoFeB-based magnetic tunnel junctions with perpendicular magnetic anisotropy are used as a model system for studies of size dependence in spin-torque-induced magnetic switching. For integrated solid-state memory applications, it is important to understand the magnetic and electrical characteristics of these magnetic tunnel junctions as they scale with tunnel junction size. Size-dependent magnetic anisotropy energy, switching voltage, apparent damping, and anisotropy field are systematically compared for devices with different materials and fabrication treatments. Results reveal the presence of sub-volume thermal fluctuation and reversal, with a characteristic length-scale of the order of approximately 40 nm, depending on the strength of the perpendicular magnetic anisotropy and exchange stiffness. To have the best spin-torque switching efficiency and best stability against thermal activation, it is desirable to optimize the perpendicular anisotropy strength with the junction size for intended use. It also is important to ensure strong exchange-stiffness across the magnetic thin film. These combine to give an exchange length that is comparable or larger than the lateral device size for efficient spin-torque switching.

Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

DOE PAGES

Al-Hamdani, Yasmine S.; Alfè, Dario; von Lilienfeld, O. Anatole; ...

2014-10-22

Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we showmore » that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B₃N₃H₆) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy.« less

The photochemical reflectance index provides an optical indicator of spring photosynthetic activation in evergreen conifers.

PubMed

Wong, Christopher Y S; Gamon, John A

2015-04-01

In evergreens, the seasonal down-regulation and reactivation of photosynthesis is largely invisible and difficult to assess with remote sensing. This invisible phenology may be changing as a result of climate change. To better understand the mechanism and timing of these hidden physiological transitions, we explored several assays and optical indicators of spring photosynthetic activation in conifers exposed to a boreal climate. The photochemical reflectance index (PRI), chlorophyll fluorescence, and leaf pigments for evergreen conifer seedlings were monitored over 1 yr of a boreal climate with the addition of gas exchange during the spring. PRI, electron transport rate, pigment levels, light-use efficiency and photosynthesis all exhibited striking seasonal changes, with varying kinetics and strengths of correlation, which were used to evaluate the mechanisms and timing of spring activation. PRI and pigment pools were closely timed with photosynthetic reactivation measured by gas exchange. The PRI provided a clear optical indicator of spring photosynthetic activation that was detectable at leaf and stand scales in conifers. We propose that PRI might provide a useful metric of effective growing season length amenable to remote sensing and could improve remote-sensing-driven models of carbon uptake in evergreen ecosystems. © 2015 The Authors. New Phytologist © 2015 New Phytologist Trust.

A first-principles study of the influence of helium atoms on the optical response of small silver clusters.

PubMed

Pereiro, M; Baldomir, D; Arias, J E

2011-02-28

Optical excitation spectra of Ag(n) and Ag(n)@He(60) (n = 2, 8) clusters are investigated in the framework of the time-dependent density functional theory (TDDFT) within the linear response regime. We have performed the ab initio calculations for two different exact exchange functionals (GGA-exact and LDA-exact). The computed spectra of Ag(n)@He(60) clusters with the GGA-exact functional accounting for exchange-correlation effects are found to be generally in a relatively good agreement with the experiment. A strategy is proposed to obtain the ground-state structures of the Ag(n)@He(60) clusters and in the initial process of the geometry optimization, the He environment is simulated with buckyballs. A redshift of the silver clusters spectra is observed in the He environment with respect to the ones of bare silver clusters. This observation is discussed and explained in terms of a contraction of the Ag-He bonding length and a consequent confinement of the s valence electrons in silver clusters. Likewise, the Mie-Gans predictions combined with our TDDFT calculations also show that the dielectric effect produced by the He matrix is considerably less important in explaining the redshifting observed in the optical spectra of Ag(n)@He(60) clusters.

Small-Angle Neutron Scattering Studies of Magnetic Correlation Lengths in Nanoparticle Assemblies

NASA Astrophysics Data System (ADS)

Majetich, Sara

2009-03-01

Small-angle neutron scattering (SANS) measurements of ordered arrays of surfactant-coated magnetic nanoparticle reveal characteristic length scales associated with interparticle and intraparticle magnetic ordering. The high degree of uniformity in the monodisperse nanoparticle size and spacing leads to a pronounced diffraction peak and allows for a straightforward determination of these length scales [1]. There are notable differences in these length scales depending on the particle moment, which depends on the material (Fe, Co, Fe3O4) and diameter, and also on whether the metal particle core is surrounded by an oxide shell. For 8.5 nm particles containing an Fe core and thick Fe3O4 shell, evidence of a spin flop phase is seen in the magnetite shell when a field is applied , but not when the shell thickness is ˜0.5 nm [2]. 8.0 nm particles with an e-Co core and 0.75 nm CoO shell show no exchange bias effects while similar particles with a 2 nm thick shell so significant training effects below 90 K. Polarized SANS studied of 7 nm Fe3O4 nanoparticle assemblies show the ability to resolve the magnetization components in 3D. [4pt] [1] M. Sachan, C. Bonnoit, S. A. Majetich, Y. Ijiri, P. O. Mensah-Bonsu, J. A. Borchers, and J. J. Rhyne, Appl. Phys. Lett. 92, 152503 (2008). [0pt] [2] Yumi Ijiri, Christopher V. Kelly, Julie A. Borchers, James J. Rhyne, Dorothy F. Farrell, Sara A. Majetich, Appl. Phys. Lett. 86, 243102-243104 (2005). [0pt] [3] K. L. Krycka, R. Booth, J. A. Borchers, W. C. Chen, C. Conlon, T. Gentile, C. Hogg, Y. Ijiri, M. Laver, B. B. Maranville, S. A. Majetich, J. Rhyne, and S. M. Watson, Physica B (submitted).

An alternative way to track the hot money in turbulent times

NASA Astrophysics Data System (ADS)

Sensoy, Ahmet

2015-02-01

During recent years, networks have proven to be an efficient way to characterize and investigate a wide range of complex financial systems. In this study, we first obtain the dynamic conditional correlations between filtered exchange rates (against US dollar) of several countries and introduce a time-varying threshold correlation level to define dynamic strong correlations between these exchange rates. Then, using evolving networks obtained from strong correlations, we propose an alternative approach to track the hot money in turbulent times. The approach is demonstrated for the time period including the financial turmoil of 2008. Other applications are also discussed.

Individual Basepair Stability of DNA and RNA Studied by NMR-Detected Solvent Exchange

PubMed Central

Steinert, Hannah S.; Rinnenthal, Jörg; Schwalbe, Harald

2012-01-01

In this study, we have optimized NMR methodology to determine the thermodynamic parameters of basepair opening in DNA and RNA duplexes by characterizing the temperature dependence of imino proton exchange rates of individual basepairs. Contributions of the nuclear Overhauser effect to exchange rates measured with inversion recovery experiments are quantified, and the influence of intrinsic and external catalysis exchange mechanisms on the imino proton exchange rates is analyzed. Basepairs in DNA and RNA have an approximately equal stability, and the enthalpy and entropy values of their basepair dissociation are correlated linearly. Furthermore, the compensation temperature, Tc, which is derived from the slope of the correlation, coincides with the melting temperature, and duplex unfolding occurs at that temperature where all basepairs are equally thermodynamically stable. The impact of protium-deuterium exchange of the imino hydrogen on the free energy of RNA basepair opening is investigated, and it is found that two A·U basepairs show distinct fractionation factors. PMID:22713572

Long-range corrected density functional through the density matrix expansion based semilocal exchange hole.

PubMed

Patra, Bikash; Jana, Subrata; Samal, Prasanjit

2018-03-28

The exchange hole, which is one of the principal constituents of the density functional formalism, can be used to design accurate range-separated hybrid functionals in association with appropriate correlation. In this regard, the exchange hole derived from the density matrix expansion has gained attention due to its fulfillment of some of the desired exact constraints. Thus, the new long-range corrected density functional proposed here combines the meta generalized gradient approximation level exchange functional designed from the density matrix expansion based exchange hole coupled with the ab initio Hartree-Fock exchange through the range separation of the Coulomb interaction operator using the standard error function technique. Then, in association with the Lee-Yang-Parr correlation functional, the assessment and benchmarking of the above newly constructed range-separated functional with various well-known test sets shows its reasonable performance for a broad range of molecular properties, such as thermochemistry, non-covalent interaction and barrier heights of the chemical reactions.

Individual, network, and neighborhood correlates of exchange sex among female non-injection drug users in Baltimore, MD (2005–2007)

PubMed Central

Rudolph, Abby E; Linton, Sabriya; Dyer, Typhanye Penniman; Latkin, Carl

2012-01-01

The “HIV risk environment” has been characterized as a dynamic interplay between structural and network factors. However, most HIV prevention research has not examined the independent and combined impact of network and structural factors. We aimed to identify individual, network, and neighborhood correlates of exchange sex (≥1 exchange sex partner, past 90 days) among female non-injection drug users (NIDUs). We used baseline data from 417 NIDUs enrolled in a randomized HIV prevention trial in Baltimore (2005–2007). Surveys ascertained demographic variables, drug/sex risk behaviors, neighborhood perceptions, and social/sexual network characteristics. Correlates of exchange sex were identified with descriptive statistics and log-binomial regression. Our findings suggest that sex and drug relationships among female NIDUs are interlinked and may be difficult to modify without altering social norms. Strengthening ties that provide social support but not drug support and reducing ties that provide both drug and social support may facilitate reductions in individual-level HIV-risk behaviors. PMID:22983502

Numerical investigation of transient behaviour of the recuperative heat exchanger in a MR J-T cryocooler using different heat transfer correlations

NASA Astrophysics Data System (ADS)

Damle, R. M.; Ardhapurkar, P. M.; Atrey, M. D.

2016-12-01

In J-T cryocoolers operating with mixed refrigerants (nitrogen-hydrocarbons), the recuperative heat exchange takes place under two-phase conditions. Simultaneous boiling of the low pressure stream and condensation of the high pressure stream results in higher heat transfer coefficients. The mixture composition, operating conditions and the heat exchanger design are crucial for obtaining the required cryogenic temperature. In this work, a one-dimensional transient algorithm is developed for the simulation of the two-phase heat transfer in the recuperative heat exchanger of a mixed refrigerant J-T cryocooler. Modified correlation is used for flow boiling of the high pressure fluid while different condensation correlations are employed with and without the correction for the low pressure fluid. Simulations are carried out for different mixture compositions and numerical predictions are compared with the experimental data. The overall heat transfer is predicted reasonably well and the qualitative trends of the temperature profiles are also captured by the developed numerical model.

Estimating time-varying conditional correlations between stock and foreign exchange markets

NASA Astrophysics Data System (ADS)

Tastan, Hüseyin

2006-02-01

This study explores the dynamic interaction between stock market returns and changes in nominal exchange rates. Many financial variables are known to exhibit fat tails and autoregressive variance structure. It is well-known that unconditional covariance and correlation coefficients also vary significantly over time and multivariate generalized autoregressive model (MGARCH) is able to capture the time-varying variance-covariance matrix for stock market returns and changes in exchange rates. The model is applied to daily Euro-Dollar exchange rates and two stock market indexes from the US economy: Dow-Jones Industrial Average Index and S&P500 Index. The news impact surfaces are also drawn based on the model estimates to see the effects of idiosyncratic shocks in respective markets.

Consequence Assessment Methods for Incidents Involving Releases From Liquefied Natural Gas Carriers

DTIC Science & Technology

2004-05-13

the downwind direction. The Thomas (1965) correlation is used to calculate flame length . Flame tilt is estimated using an empirical correlation from...follows: From TNO (1997) • Thomas (1963) correlation for flame length • For an experimental LNG pool fire of 16.8-m diameter, a mass burning flux of...m, flame length ranged from 50 to 78 m, and tilt angle from 27 to 35 degrees From Rew (1996) • Work included a review of recent developments in

[Characteristics of mercury exchange flux between soil and atmosphere under the snow retention and snow melting control].

PubMed

Zhang, Gang; Wang, Ning; Ai, Jian-Chao; Zhang, Lei; Yang, Jing; Liu, Zi-Qi

2013-02-01

Jiapigou gold mine, located in the upper Songhua River, was once the largest mine in China due to gold output, where gold extraction with algamation was widely applied to extract gold resulting in severe mercury pollution to ambient environmental medium. In order to study the characteristics of mercury exchange flux between soil (snow) and atmosphere under the snow retention and snow melting control, sampling sites were selected in equal distances along the slope which is situated in the typical hill-valley terrain unit. Mercury exchange flux between soil (snow) and atmosphere was determined with the method of dynamic flux chamber and in all sampling sites the atmosphere concentration from 0 to 150 cm near to the earth in the vertical direction was measured. Furthermore, the impact factors including synchronous meteorology, the surface characteristics under the snow retention and snow melting control and the mercury concentration in vertical direction were also investigated. The results are as follows: During the period of snow retention and melting the air mercury tends to gather towards valley bottom along the slope and an obvious deposit tendency process was found from air to the earth's surface under the control of thermal inversion due to the underlying surface of cold source (snow surface). However, during the period of snow melting, mercury exchange flux between the soil and atmosphere on the surface of the earth with the snow being melted demonstrates alternative deposit and release processes. As for the earth with snow covered, the deposit level of mercury exchange flux between soil and atmosphere is lower than that during the period of snow retention. The relationship between mercury exchange flux and impact factors shows that in snow retention there is a remarkable negative linear correlation between mercury exchange flux and air mercury concentration as well as between the former and the air temperature. In addition, in snow melting mercury exchange flux is remarkably negatively linearly correlated to air mercury concentration and positively linearly correlated to air temperature. Furthermore, there is a general positive linear correlation between mercury exchange flux and soil temperature on the surface of earth after snow melting.

International data transfer for space very long baseline interferometry

NASA Technical Reports Server (NTRS)

Wiercigroch, Alexandria B.

1994-01-01

Space very long baseline interferometry (SVLBI) experiments using a TDRSS satellite have successfully demonstrated the capability of using spacecraft to extend the effective baseline length of VLBI observations beyond the diameter of the Earth, thereby improving the resolution for imaging of active galactic nuclei at centimeter wavelengths. As a result, two spacecraft dedicated to SVLBI, VSOP (Japan) and RadioAstron (Russia), are scheduled to be launched into high Earth orbit in 1996 and 1997. The success of these missions depends on the cooperation of the international community in providing support from ground tracking stations, ground radio telescopes, and correlation facilities. The timely exchange and monitoring of data among the participants requires a well-designed and automated international data transfer system. In this paper, we will discuss the design requirements, data types and flows, and the operational responsibilities associated with the SVLBI data transfer system.

On the correlation between bond-length change and vibrational frequency shift in halogen-bonded complexes

NASA Astrophysics Data System (ADS)

Wang, Weizhou; Zhang, Yu; Ji, Baoming; Tian, Anmin

2011-06-01

The C-Hal (Hal = Cl, Br, or I) bond-length change and the corresponding vibrational frequency shift of the C-Hal stretch upon the C-Hal ⋯Y (Y is the electron donor) halogen bond formation have been determined by using density functional theory computations. Plots of the C-Hal bond-length change versus the corresponding vibrational frequency shift of the C-Hal stretch all give straight lines. The coefficients of determination range from 0.94366 to 0.99219, showing that the correlation between the C-Hal bond-length change and the corresponding frequency shift is very good in the halogen-bonded complexes. The possible effects of vibrational coupling, computational method, and anharmonicity on the bond-length change-frequency shift correlation are discussed in detail.

Apparent violation of the sum rule for exchange-correlation charges by generalized gradient approximations.

PubMed

Kohut, Sviataslau V; Staroverov, Viktor N

2013-10-28

The exchange-correlation potential of Kohn-Sham density-functional theory, vXC(r), can be thought of as an electrostatic potential produced by the static charge distribution qXC(r) = -(1∕4π)∇(2)vXC(r). The total exchange-correlation charge, QXC = ∫qXC(r) dr, determines the rate of the asymptotic decay of vXC(r). If QXC ≠ 0, the potential falls off as QXC∕r; if QXC = 0, the decay is faster than coulombic. According to this rule, exchange-correlation potentials derived from standard generalized gradient approximations (GGAs) should have QXC = 0, but accurate numerical calculations give QXC ≠ 0. We resolve this paradox by showing that the charge density qXC(r) associated with every GGA consists of two types of contributions: a continuous distribution and point charges arising from the singularities of vXC(r) at each nucleus. Numerical integration of qXC(r) accounts for the continuous charge but misses the point charges. When the point-charge contributions are included, one obtains the correct QXC value. These findings provide an important caveat for attempts to devise asymptotically correct Kohn-Sham potentials by modeling the distribution qXC(r).

Assessing the Chemical Accuracy of Protein Structures via Peptide Acidity

PubMed Central

Anderson, Janet S.; Hernández, Griselda; LeMaster, David M.

2012-01-01

Although the protein native state is a Boltzmann conformational ensemble, practical applications often require a representative model from the most populated region of that distribution. The acidity of the backbone amides, as reflected in hydrogen exchange rates, is exquisitely sensitive to the surrounding charge and dielectric volume distribution. For each of four proteins, three independently determined X-ray structures of differing crystallographic resolution were used to predict exchange for the static solvent-exposed amide hydrogens. The average correlation coefficients range from 0.74 for ubiquitin to 0.93 for Pyrococcus furiosus rubredoxin, reflecting the larger range of experimental exchange rates exhibited by the latter protein. The exchange prediction errors modestly correlate with the crystallographic resolution. MODELLER 9v6-derived homology models at ~60% sequence identity (36% identity for chymotrypsin inhibitor CI2) yielded correlation coefficients that are ~0.1 smaller than for the cognate X-ray structures. The most recently deposited NOE-based ubiquitin structure and the original NMR structure of CI2 fail to provide statistically significant predictions of hydrogen exchange. However, the more recent RECOORD refinement study of CI2 yielded predictions comparable to the X-ray and homology model-based analyses. PMID:23182463

Hydrogen/deuterium (H/D) exchange of gelatinized starch studied by two-dimensional (2D) near-infrared (NIR) correlation spectroscopy

NASA Astrophysics Data System (ADS)

Shinzawa, Hideyuki; Mizukado, Junji

2018-05-01

Hydrogen/deuterium (H/D) exchange of gelatinized starch was probed by in-situ near-infrared (NIR) monitoring coupled with two-dimensional (2D) correlation spectroscopy. Gelatinized starch undergoes spontaneous H/D exchange in D2O. During the substitution, the exchange rate essentially becomes different depending on solvent accessibility of various parts of the molecule. Thus, by analyzing the change in the NIR feature observed during the substitution, it becomes possible to sort out local structure and dynamics of the system. 2D correlation analysis of the time-dependent NIR spectra reveals the presence of different local structure of the starch, each having different solvent accessibility. For example, during the H/D exchange, the D2O is first absorbed by starch molecules especially around the surface area between the starch and water, where the water molecules are weakly interacted with the starch molecules. This absorption is quickly followed by the development of HDO species. Further absorption of the D2O results in the penetration of the molecules inside the starch and eventually develops the relatively strong interaction between the HDO and starch molecules because of the presence of dominant starch molecules.

Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

NASA Astrophysics Data System (ADS)

Sun, Jianwei; Perdew, John P.; Yang, Zenghui; Peng, Haowei

2016-05-01

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

Method for braze-joining spirally wound tapes to inner walls of heat exchanger tubes

DOEpatents

Garrison, Melton E.

1984-01-01

The present invention is directed to a method of fabricating heat exchanger tubes in which twisted tapes are utilized for promoting turbulence and heat transfer. The method of the present invention provides for the brazing of the tapes to the inner walls of the tubes for enhancing heat transfer between the fluid within the conduit and a fluid medium outside of the conduit by conduction through the tape. The braze joint of the present invention is coextensive with the tape over the entire length thereof within the conduit. The practice of the present invention is achieved by placing a filler wire of brazing metal along the tape at a location removed from the side walls and then heating the conduit and tape sufficiently to effect the displacement of the filler metal by wicking to the contact point between the tape and the conduit wall to form a braze joint coextensive with the length of the tape within the conduit. This arrangement provides maximum heat transfer and assures that the tape is in contact with the conduit over the entire common length thereof.

Method for braze-joining spirally wound tapes to inner walls of heat exchanger tubes

DOEpatents

Garrison, M.E.

1982-09-03

The present invention is directed to a method of fabricating heat exchanger tubes in which twisted tapes are utilized for promoting turbulence and heat transfer. The method of the present invention provides for the brazing of the tapes to the inner walls of the tubes for enhancing heat transfer between the fluid within the conduit and a fluid medium outside of the conduit by conduction through the tape. The braze joint of the present invention is coextensive with the tape over the entire length thereof within the conduit. The practice of the present invention is achieved by placing a filler wire of brazing metal along the tape at a location removed from the side walls and then heating the conduit and tape sufficiently to effect the displacement of the filler metal by wicking to the contact point between the tape and the conduit wall to form a braze joint coextensive with the length of the tape within the conduit. This arrangement provides maximum heat transfer and assures that the tape is in contact with the conduit over the entire common length thereof.

Density functional theory and chromium: Insights from the dimers

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

Würdemann, Rolf; Kristoffersen, Henrik H.; Moseler, Michael

2015-03-28

The binding in small Cr clusters is re-investigated, where the correct description of the dimer in three charge states is used as criterion to assign the most suitable density functional theory approximation. The difficulty in chromium arises from the subtle interplay between energy gain from hybridization and energetic cost due to exchange between s and d based molecular orbitals. Variations in published bond lengths and binding energies are shown to arise from insufficient numerical representation of electron density and Kohn-Sham wave-functions. The best functional performance is found for gradient corrected (GGA) functionals and meta-GGAs, where we find severe differences betweenmore » functionals from the same family due to the importance of exchange. Only the “best fit” from Bayesian error estimation is able to predict the correct energetics for all three charge states unambiguously. With this knowledge, we predict small bond-lengths to be exclusively present in Cr{sub 2} and Cr{sub 2}{sup −}. Already for the dimer cation, solely long bond-lengths appear, similar to what is found in the trimer and in chromium bulk.« less

Effects of weakly coupled and dense quantum plasmas environments on charge exchange and ionization processes in Na+ + Rb(5s) atom collisions

NASA Astrophysics Data System (ADS)

Pandey, Mukesh Kumar; Lin, Yen-Chang; Ho, Yew Kam

2017-02-01

The effects of weakly coupled or classical and dense quantum plasmas environment on charge exchange and ionization processes in Na+ + Rb(5s) atom collision at keV energy range have been investigated using classical trajectory Monte Carlo (CTMC) method. The interaction of three charged particles are described by the Debye-Hückel screen potential for weakly coupled plasma, whereas exponential cosine-screened Coulomb potential have been used for dense quantum plasma environment and the effects of both conditions on the cross sections are compared. It is found that screening effects on cross sections in high Debye length condition is quite small in both plasma environments. However, enhanced screening effects on cross sections are observed in dense quantum plasmas for low Debye length condition, which becomes more effective while decreasing the Debye length. Also, we have found that our calculated results for plasma-free case are comparable with the available theoretical results. These results are analyzed in light of available theoretical data with the choice of model potentials.

Source-Free Exchange-Correlation Magnetic Fields in Density Functional Theory.

PubMed

Sharma, S; Gross, E K U; Sanna, A; Dewhurst, J K

2018-03-13

Spin-dependent exchange-correlation energy functionals in use today depend on the charge density and the magnetization density: E xc [ρ, m]. However, it is also correct to define the functional in terms of the curl of m for physical external fields: E xc [ρ,∇ × m]. The exchange-correlation magnetic field, B xc , then becomes source-free. We study this variation of the theory by uniquely removing the source term from local and generalized gradient approximations to the functional. By doing so, the total Kohn-Sham moments are improved for a wide range of materials for both functionals. Significantly, the moments for the pnictides are now in good agreement with experiment. This source-free method is simple to implement in all existing density functional theory codes.

Exact exchange-correlation potentials of singlet two-electron systems

NASA Astrophysics Data System (ADS)

Ryabinkin, Ilya G.; Ospadov, Egor; Staroverov, Viktor N.

2017-10-01

We suggest a non-iterative analytic method for constructing the exchange-correlation potential, v XC ( r ) , of any singlet ground-state two-electron system. The method is based on a convenient formula for v XC ( r ) in terms of quantities determined only by the system's electronic wave function, exact or approximate, and is essentially different from the Kohn-Sham inversion technique. When applied to Gaussian-basis-set wave functions, the method yields finite-basis-set approximations to the corresponding basis-set-limit v XC ( r ) , whereas the Kohn-Sham inversion produces physically inappropriate (oscillatory and divergent) potentials. The effectiveness of the procedure is demonstrated by computing accurate exchange-correlation potentials of several two-electron systems (helium isoelectronic series, H2, H3 + ) using common ab initio methods and Gaussian basis sets.

Exact exchange and Wilson-Levy correlation: a pragmatic device for studying complex weakly-bonded systems.

PubMed

Walsh, T R

2005-02-07

The Wilson-Levy (WL) correlation functional is used together with Hartree-Fock (HF) theory to evaluate interaction energies at intermediate separations (i.e. around equilibrium separation) for several weakly-bonded systems. The HF+WL approach reproduces binding trends for all complexes studied: selected rare-gas dimers, isomers of the methane dimer, benzene dimer and naphthalene dimer, and base-pair stacking structures for pyrimidine, cytosine, uracil and guanine dimers. These HF+WL data are contrasted against results obtained from some popular functionals (including B3LYP and PBE), as well as two newly-developed functionals, X3LYP and xPBE. The utility of HF+WL, with reference to exact-exchange (EXX) density-functional theory, is discussed in terms of a suggested EXXWL exchange-correlation functional.

Accuracy of electron densities obtained via Koopmans-compliant hybrid functionals

NASA Astrophysics Data System (ADS)

Elmaslmane, A. R.; Wetherell, J.; Hodgson, M. J. P.; McKenna, K. P.; Godby, R. W.

2018-04-01

We evaluate the accuracy of electron densities and quasiparticle energy gaps given by hybrid functionals by directly comparing these to the exact quantities obtained from solving the many-electron Schrödinger equation. We determine the admixture of Hartree-Fock exchange to approximate exchange-correlation in our hybrid functional via one of several physically justified constraints, including the generalized Koopmans' theorem. We find that hybrid functionals yield strikingly accurate electron densities and gaps in both exchange-dominated and correlated systems. We also discuss the role of the screened Fock operator in the success of hybrid functionals.

The relationship of birth weight, gestational age, and postmenstrual age with ocular biometry parameters in premature infants.

PubMed

Ozdemir, Ozdemir; Tunay, Zuhal Ozen; Acar, Damla Erginturk; Erol, Muhammet Kazım; Sener, Ender; Acar, Ugur

2015-01-01

To analyze ocular biometry parameters and evaluate their relationship with gestational age, birth weight, and postmenstrual age in prematurely born infants. The right eyes of 361 premature infants born before the 36th gestational week were evaluated. Birth weight, gestational week, and gender were recorded. An A-scan Biometer was used for obtaining axial measurements, including anterior chamber depth, lens thickness, vitreous length, and total axial length. Gestational age and birth weight values ranged from 23 to 36 weeks and from 560 to 2,670 g, respectively. The mean gestational age and birth weight were 30.8 ± 2.8 weeks and 1,497.9 ± 483.6 g, respectively. During the first examination (4-5 weeks of postnatal age), birth weight and gestational age of the infants correlated significantly and positively with lens thickness, vitreous length, and axial length (r>0.5, p<0.001), but not with anterior chamber depth (r<0.5). Increased vitreous and axial lengths correlated significantly with increasing postmenstrual age of the infants (r=0.669, p<0.001; r=0.845, p<0.001, respectively). Lens thickness, vitreous length, and axial length, but not anterior chamber depth, were significantly correlated with birth weight and gestational age. All four parameters increased with increasing postmenstrual age, with higher correlations for vitreous and axial lengths than for anterior chamber depth and lens thickness. It was concluded that axial elongation resulted primarily from increasing posterior chamber length.

Correlation between morphometry of the suprascapular notch and anthropometric measurements of the scapula.

PubMed

Polguj, M; Jędrzejewski, K S; Podgórski, M; Topol, M

2011-05-01

The concept of the study was to find the correlation between the morphometry of the suprascapular notch and basic anthropometric measurements of the human scapula. The measurements of the human scapulae included: morphological length and width, maximal width and length projection of scapular spine, length of acromion, and maximal length of the coracoid process. The glenoid cavity was measured in two perpendicular directions to evaluate its width and length. The width-length scapular and glenoid cavity indexes were calculated for every bone. In addition to standard anthropometric measurements two other measurements were defined and evaluated for every suprascapular notch: maximal depth (MD) and superior transverse diameter (STD). The superior transverse suprascapular ligament was completely ossified in 7% of cases. Ten (11.6%) scapulae had a discrete notch. In the studied material, in 21 (24.4%) scapulae the MD was longer than the STD. Two (2.3%) scapulae had equal maximal depth and superior transverse diameter. In 47 (57.7%) scapulae the superior transverse diameter was longer than the maximal depth. There was no statistically significant difference between anthropometric measurements in the group with higher MD and the group with higher STD. The maximal depth of the suprascapular notch negatively correlated with the scapular width-length index. The maximal depth of the scapular notch correlated with the morphological length of the scapulae.

Study of heat exchange in cooling systems of heat-stressed structures

NASA Astrophysics Data System (ADS)

Vikulin, A. V.; Yaroslavtsev, N. L.; Zemlyanaya, V. A.

2017-01-01

Increasing working parameters of the cycle of gas-turbine engines, complicating design of gas-turbine plants, as well as growing aerodynamic, thermal, static, and dynamic loads, necessitate the development of promising cooling systems for heat-stressed structures. This work is devoted to an experimental study of heat exchange in ducts equipped with systems of inclined and cross walls (fins). It has been found that an increase in the Reynolds number Re from 3000 to 20000 leads to a decrease in the heat exchange, which is characterized by the relative Nusselt number overline{Nu}, by 19-30% at the angle of inclination of the walls φ = 0, 40°, 50°, and 90° if the length of the walls x w is comparable to the spacing b s and by 12-15% at φ = 30° and 90° if x w ≫ b s. If cross walls are used in cooling ducts, the length of the walls x w plays the governing role; an increase in this characteristic from 1.22 × 10-3 to 3.14 × 10-3 m leads to an increase in the intensity of heat exchange by 30-40% and to a decrease in the capacity of the entire system of the walls. It has been shown that, on surfaces with wavy fins, the intensity of heat exchange is closest to that determined in the models under study. For example, values of the Colborne criterion StPr2/3 for ducts equipped with wavy fins and for the models under study differ only slightly (by 2-20% depending on the value of the angle φ). However, the difference for surfaces with short plate fins and ducts equipped with inclined walls is high (30-40%). This is due to the design features of these surfaces and to the severe effect of the inlet portion on heat exchange, since the surfaces are characterized by a higher ratio of the duct length to the hydraulic diameter L/d h at small fin thicknesses ((0.1-0.15) × 10-3 m). The experimental results can be used in developing designs of nozzle and rotor blades of high-temperature gas turbines in gas-turbine engines and plants.

Universal and idiosyncratic characteristic lengths in bacterial genomes

NASA Astrophysics Data System (ADS)

Junier, Ivan; Frémont, Paul; Rivoire, Olivier

2018-05-01

In condensed matter physics, simplified descriptions are obtained by coarse-graining the features of a system at a certain characteristic length, defined as the typical length beyond which some properties are no longer correlated. From a physics standpoint, in vitro DNA has thus a characteristic length of 300 base pairs (bp), the Kuhn length of the molecule beyond which correlations in its orientations are typically lost. From a biology standpoint, in vivo DNA has a characteristic length of 1000 bp, the typical length of genes. Since bacteria live in very different physico-chemical conditions and since their genomes lack translational invariance, whether larger, universal characteristic lengths exist is a non-trivial question. Here, we examine this problem by leveraging the large number of fully sequenced genomes available in public databases. By analyzing GC content correlations and the evolutionary conservation of gene contexts (synteny) in hundreds of bacterial chromosomes, we conclude that a fundamental characteristic length around 10–20 kb can be defined. This characteristic length reflects elementary structures involved in the coordination of gene expression, which are present all along the genome of nearly all bacteria. Technically, reaching this conclusion required us to implement methods that are insensitive to the presence of large idiosyncratic genomic features, which may co-exist along these fundamental universal structures.

mBEEF-vdW: Robust fitting of error estimation density functionals

NASA Astrophysics Data System (ADS)

Lundgaard, Keld T.; Wellendorff, Jess; Voss, Johannes; Jacobsen, Karsten W.; Bligaard, Thomas

2016-06-01

We propose a general-purpose semilocal/nonlocal exchange-correlation functional approximation, named mBEEF-vdW. The exchange is a meta generalized gradient approximation, and the correlation is a semilocal and nonlocal mixture, with the Rutgers-Chalmers approximation for van der Waals (vdW) forces. The functional is fitted within the Bayesian error estimation functional (BEEF) framework [J. Wellendorff et al., Phys. Rev. B 85, 235149 (2012), 10.1103/PhysRevB.85.235149; J. Wellendorff et al., J. Chem. Phys. 140, 144107 (2014), 10.1063/1.4870397]. We improve the previously used fitting procedures by introducing a robust MM-estimator based loss function, reducing the sensitivity to outliers in the datasets. To more reliably determine the optimal model complexity, we furthermore introduce a generalization of the bootstrap 0.632 estimator with hierarchical bootstrap sampling and geometric mean estimator over the training datasets. Using this estimator, we show that the robust loss function leads to a 10 % improvement in the estimated prediction error over the previously used least-squares loss function. The mBEEF-vdW functional is benchmarked against popular density functional approximations over a wide range of datasets relevant for heterogeneous catalysis, including datasets that were not used for its training. Overall, we find that mBEEF-vdW has a higher general accuracy than competing popular functionals, and it is one of the best performing functionals on chemisorption systems, surface energies, lattice constants, and dispersion. We also show the potential-energy curve of graphene on the nickel(111) surface, where mBEEF-vdW matches the experimental binding length. mBEEF-vdW is currently available in gpaw and other density functional theory codes through Libxc, version 3.0.0.

Correlation Lengths for Estimating the Large-Scale Carbon and Heat Content of the Southern Ocean

NASA Astrophysics Data System (ADS)

Mazloff, M. R.; Cornuelle, B. D.; Gille, S. T.; Verdy, A.

2018-02-01

The spatial correlation scales of oceanic dissolved inorganic carbon, heat content, and carbon and heat exchanges with the atmosphere are estimated from a realistic numerical simulation of the Southern Ocean. Biases in the model are assessed by comparing the simulated sea surface height and temperature scales to those derived from optimally interpolated satellite measurements. While these products do not resolve all ocean scales, they are representative of the climate scale variability we aim to estimate. Results show that constraining the carbon and heat inventory between 35°S and 70°S on time-scales longer than 90 days requires approximately 100 optimally spaced measurement platforms: approximately one platform every 20° longitude by 6° latitude. Carbon flux has slightly longer zonal scales, and requires a coverage of approximately 30° by 6°. Heat flux has much longer scales, and thus a platform distribution of approximately 90° by 10° would be sufficient. Fluxes, however, have significant subseasonal variability. For all fields, and especially fluxes, sustained measurements in time are required to prevent aliasing of the eddy signals into the longer climate scale signals. Our results imply a minimum of 100 biogeochemical-Argo floats are required to monitor the Southern Ocean carbon and heat content and air-sea exchanges on time-scales longer than 90 days. However, an estimate of formal mapping error using the current Argo array implies that in practice even an array of 600 floats (a nominal float density of about 1 every 7° longitude by 3° latitude) will result in nonnegligible uncertainty in estimating climate signals.

A Benes-like theorem for the shuffle-exchange graph

NASA Technical Reports Server (NTRS)

Schwabe, Eric J.

1992-01-01

One of the first theorems on permutation routing, proved by V. E. Beness (1965), shows that given a set of source-destination pairs in an N-node butterfly network with at most a constant number of sources or destinations in each column of the butterfly, there exists a set of paths of lengths O(log N) connecting each pair such that the total congestion is constant. An analogous theorem yielding constant-congestion paths for off-line routing in the shuffle-exchange graph is proved here. The necklaces of the shuffle-exchange graph play the same structural role as the columns of the butterfly in Beness' theorem.

Correlation of soft palate length with velum obstruction and severity of obstructive sleep apnea syndrome.

PubMed

Lim, Ju-Shin; Lee, Jae Woo; Han, Chun; Kwon, Jang-Woo

2018-06-01

Our aim in this study was to analyze whether soft palate length and velum obstruction during sleep are correlated and to determine the effects of related parameters on obstructive sleep apnea syndrome (OSAS) severity. We used computed tomography to measure soft palate length and drug-induced sleep endoscopy (DISE) to evaluate velum obstruction severity. Patients also underwent polysomnography (PSG) for evaluation of OSAS severity. A retrospective cohort of 67 patients with OSAS treated between May 1st, 2013 and July 31st, 2016 was analyzed. Each patient underwent DISE, PSG, and computed tomography. Using DISE, velum obstruction was categorized by the VOTE classification method. Using computed tomography, soft palate length was measured as the length of the posterior nasal spine to the uvula. Correlations of velum obstruction in DISE and PSG parameters (obstructive apnea, hypopnea, apnea hypopnea index (AHI), respiratory effort related arousal (RERA), respiratory disturbance index (RDI), baseline SaO 2 , and minimum SaO 2 ) with soft palate length were also analyzed. Among the 67 patients, the average PNS-U length was 39.90±4.19mm. Length was significantly different by age but not by other demographic characteristics such as sex, past history, or BMI. DISE revealed a statistically significant difference of velum obstruction degree; the cutoff value for PNS-U was 39.47mm. The PSG results, obstructive apnea, AHI, RDI, baseline SaO 2 , and minimum SaO 2 were correlated with PNS-U length, while other results such as hypopnea and RERA showed no correlation. Analysis of soft palate length showed that increased PNS-U length was associated with higher rates of obstructive apnea, AHI, and RDI as assessed by PSG. In contrast, lower baseline SaO 2 and minimum SaO 2 values were seen by PSG; more severe velum obstruction was seen by DISE. We propose that when a soft palate is suspected in OSAS, computed tomography measurement of soft palate length is a valid method for estimating the degree of velum obstruction and the severity of OSAS. Copyright © 2017 Elsevier B.V. All rights reserved.

Effective homogeneity of the exchange-correlation and non-interacting kinetic energy functionals under density scaling.

PubMed

Borgoo, Alex; Teale, Andrew M; Tozer, David J

2012-01-21

Correlated electron densities, experimental ionisation potentials, and experimental electron affinities are used to investigate the homogeneity of the exchange-correlation and non-interacting kinetic energy functionals of Kohn-Sham density functional theory under density scaling. Results are presented for atoms and small molecules, paying attention to the influence of the integer discontinuity and the choice of the electron affinity. For the exchange-correlation functional, effective homogeneities are highly system-dependent on either side of the integer discontinuity. By contrast, the average homogeneity-associated with the potential that averages over the discontinuity-is generally close to 4/3 when the discontinuity is computed using positive affinities for systems that do bind an excess electron and negative affinities for those that do not. The proximity to 4/3 becomes increasingly pronounced with increasing atomic number. Evaluating the discontinuity using a zero affinity in systems that do not bind an excess electron instead leads to effective homogeneities on the electron abundant side that are close to 4/3. For the non-interacting kinetic energy functional, the effective homogeneities are less system-dependent and the effect of the integer discontinuity is less pronounced. Average values are uniformly below 5/3. The study provides information that may aid the development of improved exchange-correlation and non-interacting kinetic energy functionals. © 2012 American Institute of Physics

Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem

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

Pribram-Jones, Aurora; Grabowski, Paul E.; Burke, Kieron

We present that the van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of TDDFT, and fluctuation dissipation theorem for DFT. Finally, this produces a natural method for generating new thermal exchange-correlation approximations.

Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem

DOE PAGES

Pribram-Jones, Aurora; Grabowski, Paul E.; Burke, Kieron

2016-06-08

We present that the van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of TDDFT, and fluctuation dissipation theorem for DFT. Finally, this produces a natural method for generating new thermal exchange-correlation approximations.

Cubic law with aperture-length correlation: implications for network scale fluid flow

NASA Astrophysics Data System (ADS)

Klimczak, Christian; Schultz, Richard A.; Parashar, Rishi; Reeves, Donald M.

2010-06-01

Previous studies have computed and modeled fluid flow through fractured rock with the parallel plate approach where the volumetric flow per unit width normal to the direction of flow is proportional to the cubed aperture between the plates, referred to as the traditional cubic law. When combined with the square root relationship of displacement to length scaling of opening-mode fractures, total flow rates through natural opening-mode fractures are found to be proportional to apertures to the fifth power. This new relationship was explored by examining a suite of flow simulations through fracture networks using the discrete fracture network model (DFN). Flow was modeled through fracture networks with the same spatial distribution of fractures for both correlated and uncorrelated fracture length-to-aperture relationships. Results indicate that flow rates are significantly higher for correlated DFNs. Furthermore, the length-to-aperture relations lead to power-law distributions of network hydraulic conductivity which greatly influence equivalent permeability tensor values. These results confirm the importance of the correlated square root relationship of displacement to length scaling for total flow through natural opening-mode fractures and, hence, emphasize the role of these correlations for flow modeling.

Geostatistics and the representative elementary volume of gamma ray tomography attenuation in rocks cores

USGS Publications Warehouse

Vogel, J.R.; Brown, G.O.

2003-01-01

Semivariograms of samples of Culebra Dolomite have been determined at two different resolutions for gamma ray computed tomography images. By fitting models to semivariograms, small-scale and large-scale correlation lengths are determined for four samples. Different semivariogram parameters were found for adjacent cores at both resolutions. Relative elementary volume (REV) concepts are related to the stationarity of the sample. A scale disparity factor is defined and is used to determine sample size required for ergodic stationarity with a specified correlation length. This allows for comparison of geostatistical measures and representative elementary volumes. The modifiable areal unit problem is also addressed and used to determine resolution effects on correlation lengths. By changing resolution, a range of correlation lengths can be determined for the same sample. Comparison of voxel volume to the best-fit model correlation length of a single sample at different resolutions reveals a linear scaling effect. Using this relationship, the range of the point value semivariogram is determined. This is the range approached as the voxel size goes to zero. Finally, these results are compared to the regularization theory of point variables for borehole cores and are found to be a better fit for predicting the volume-averaged range.

Correlation analysis of the Korean stock market: Revisited to consider the influence of foreign exchange rate

NASA Astrophysics Data System (ADS)

Jo, Sang Kyun; Kim, Min Jae; Lim, Kyuseong; Kim, Soo Yong

2018-02-01

We investigated the effect of foreign exchange rate in a correlation analysis of the Korean stock market using both random matrix theory and minimum spanning tree. We collected data sets which were divided into two types of stock price, the original stock price in Korean Won and the price converted into US dollars at contemporary foreign exchange rates. Comparing the random matrix theory based on the two different prices, a few particular sectors exhibited substantial differences while other sectors changed little. The particular sectors were closely related to economic circumstances and the influence of foreign financial markets during that period. The method introduced in this paper offers a way to pinpoint the effect of exchange rate on an emerging stock market.

Linking scales in sea ice mechanics.

PubMed

Weiss, Jérôme; Dansereau, Véronique

2017-02-13

Mechanics plays a key role in the evolution of the sea ice cover through its control on drift, on momentum and thermal energy exchanges between the polar oceans and the atmosphere along cracks and faults, and on ice thickness distribution through opening and ridging processes. At the local scale, a significant variability of the mechanical strength is associated with the microstructural heterogeneity of saline ice, however characterized by a small correlation length, below the ice thickness scale. Conversely, the sea ice mechanical fields (velocity, strain and stress) are characterized by long-ranged (more than 1000 km) and long-lasting (approx. few months) correlations. The associated space and time scaling laws are the signature of the brittle character of sea ice mechanics, with deformation resulting from a multi-scale accumulation of episodic fracturing and faulting events. To translate the short-range-correlated disorder on strength into long-range-correlated mechanical fields, several key ingredients are identified: long-ranged elastic interactions, slow driving conditions, a slow viscous-like relaxation of elastic stresses and a restoring/healing mechanism. These ingredients constrained the development of a new continuum mechanics modelling framework for the sea ice cover, called Maxwell-elasto-brittle. Idealized simulations without advection demonstrate that this rheological framework reproduces the main characteristics of sea ice mechanics, including anisotropy, spatial localization and intermittency, as well as the associated scaling laws.This article is part of the themed issue 'Microdynamics of ice'. © 2016 The Author(s).

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.

SODIUM-WATER HEAT EXCHANGER

DOEpatents

Simmons, W.R.; Koch, L.J.

1962-04-17

A heat exchanger comprising a tank for hot liquid and a plurality of concentric, double tubes for cool liquid extending vertically through the tank is described. These tubes are bonded throughout most of their length but have an unbonded portion at both ends. The inner tubes extend between headers located above and below the tanmk and the outer tubes are welded into tube sheets forming the top and bottom of the tank at locations in the unbonded portions of the tubes. (AEC)

Chromosomal intrachanges induced by swift iron ions

NASA Astrophysics Data System (ADS)

Horstmann, M.; Durante, M.; Johannes, C.; Obe, G.

We measured the induction of aberrations in human chromosome 5 by iron ions using the novel technique of multicolor banding in situ hybridization (mBAND). Human lymphocytes isolated from whole blood were exposed in vitro to 500 MeV/n (LET=200 keV/μ m, doses 1 or 4 Gy) 56Fe nuclei at the HIMAC accelerator in Chiba (Japan). Chromosomes were prematurely condensed by calyculin A after 48 h in culture, and slides were painted by mBAND (MetaSystems). We found a frequency of 0.11 and 0.57 residual breakpoints per chromosome 5 after 1 Gy and 4 Gy Fe-ions, respectively. The distribution per unit length were similar in the p- and q-arm of chromosome 5, and >50% of the observed fragments measured <30% of the whole chromosome length. Only small fragments (<40% of the chromosome size) were involved in intra-chromosomal exchanges (interstitial deletions or inversions), whereas fragments up to 75% of the whole chromosome 5 were found in inter-chromosomal exchanges. We measured more inter-changes than intra-changes, and more intra-arm than inter-arm exchanges at both doses. No significant differences in the ratios of these aberrations were detected with respect to X-rays. On the other hand, Fe-ions induced a significantly higher fraction of complex-type exchanges when compared to sparsely ionizing radiation. Work supported by DLR, BMBF, INTAS and NIRS-HIMAC.

Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas

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

Baldsiefen, Tim; Cangi, Attila; Eich, F. G.

Here, we derive an intrinsically temperature-dependent approximation to the correlation grand potential for many-electron systems in thermodynamical equilibrium in the context of finite-temperature reduced-density-matrix-functional theory (FT-RDMFT). We demonstrate its accuracy by calculating the magnetic phase diagram of the homogeneous electron gas. We compare it to known limits from highly accurate quantum Monte Carlo calculations as well as to phase diagrams obtained within existing exchange-correlation approximations from density functional theory and zero-temperature RDMFT.

Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas

DOE PAGES

Baldsiefen, Tim; Cangi, Attila; Eich, F. G.; ...

2017-12-18

Here, we derive an intrinsically temperature-dependent approximation to the correlation grand potential for many-electron systems in thermodynamical equilibrium in the context of finite-temperature reduced-density-matrix-functional theory (FT-RDMFT). We demonstrate its accuracy by calculating the magnetic phase diagram of the homogeneous electron gas. We compare it to known limits from highly accurate quantum Monte Carlo calculations as well as to phase diagrams obtained within existing exchange-correlation approximations from density functional theory and zero-temperature RDMFT.

Entropic stabilization of a deubiquitinase provides conformational plasticity and slow unfolding kinetics beneficial for functioning on the proteasome

PubMed Central

Lee, Yun-Tzai Cloud; Chang, Chia-Yun; Chen, Szu-Yu; Pan, Yun-Ru; Ho, Meng-Ru; Hsu, Shang-Te Danny

2017-01-01

Human ubiquitin C-terminal hydrolyase UCH-L5 is a topologically knotted deubiquitinase that is activated upon binding to the proteasome subunit Rpn13. The length of its intrinsically disordered cross-over loop is essential for substrate recognition. Here, we showed that the catalytic domain of UCH-L5 exhibits higher equilibrium folding stability with an unfolding rate on the scale of 10−8 s−1, over four orders of magnitudes slower than its paralogs, namely UCH-L1 and -L3, which have shorter cross-over loops. NMR relaxation dynamics analysis confirmed the intrinsic disorder of the cross-over loop. Hydrogen deuterium exchange analysis further revealed a positive correlation between the length of the cross-over loop and the degree of local fluctuations, despite UCH-L5 being thermodynamically and kinetically more stable than the shorter UCHs. Considering the role of UCH-L5 in removing K48-linked ubiquitin to prevent proteasomal degradation of ubiquitinated substrates, our findings offered mechanistic insights into the evolution of UCH-L5. Compared to its paralogs, it is entropically stabilized to withstand mechanical unfolding by the proteasome while maintaining structural plasticity. It can therefore accommodate a broad range of substrate geometries at the cost of unfavourable entropic loss. PMID:28338014

Fluid-particle characteristics in fully-developed cluster-induced turbulence

NASA Astrophysics Data System (ADS)

Capecelatro, Jesse; Desjardins, Olivier; Fox, Rodney

2014-11-01

In this study, we present a theoretical framework for collisional fluid-particle turbulence. To identify the key mechanisms responsible for energy exchange between the two phases, an Eulerian-Lagrangian strategy is used to simulate fully-developed cluster-inudced turbulence (CIT) under a range of Reynolds numbers, where fluctuations in particle concentration generate and sustain the carrier-phase turbulence. Using a novel filtering approach, a length-scale separation between the correlated particle velocity and uncorrelated granular temperature (GT) is achieved. This separation allows us to extract the instantaneous Eulerian volume fraction, velocity and GT fields from the Lagrangian data. Direct comparisons can thus be made with the relevant terms that appear in the multiphase turbulence model. It is shown that the granular pressure is highly anisotropic, and thus additional transport equations (as opposed to a single equation for GT) are necessary in formulating a predictive multiphase turbulence model. In addition to reporting the relevant contributions to the Reynolds stresses of each phase, two-point statistics, integral length/timescales, averages conditioned on the local volume fraction, and PDFs of the key multiphase statistics are presented and discussed. The research reported in this paper is partially supported by the HPC equipment purchased through U.S. National Science Foundation MRI Grant Number CNS 1229081 and CRI Grant Number 1205413.

Experimental and analytical study of thermal acoustic oscillations. [in the transfer and storage of cryogens

NASA Technical Reports Server (NTRS)

Spradley, L. W.; Dean, W. G.; Karu, Z. S.

1976-01-01

The thermal acoustic oscillations (TAO) data base was expanded by running a large number of tubes over a wide range of parameters known to affect the TAO phenomenon. These parameters include tube length, wall thickness, diameter, material, insertion length and length-to-diameter ratio. Emphasis was placed on getting good boiloff data. A large quantity of data was obtained, reduced, correlated and analyzed and is presented. Also presented are comparisons with previous types of correlations. These comparisons show that the boiloff data did not correlate with intensity. The data did correlate in the form used by Rott, that is boiloff versus TAO pressure squared times frequency to the one-half power. However, this latter correlation required a different set of correlation constants, slope and intercept, for each tube tested.

A Study of Co-Relation between the Length of English Low Vowels and Diphthongs by Korean Exchange Students

ERIC Educational Resources Information Center

Park, Heesuk

2010-01-01

This paper aims at comparing the five English diphthongs, /ei/, /ou/, /au/, /ai/, /[inverted c]i/, in the aspect of length, to find out a common feature in /au/, ai/, /[inverted c]i/ and /ei/, and /ou/ and to see if there is any evidence between English low vowels and diphthongs. This study is a following research of Park (2009), and I analyzed…

The use of tibial tuberosity-trochlear groove indices based on joint size in lower limb evaluation.

PubMed

Ferlic, Peter Wilhelm; Runer, Armin; Dirisamer, Florian; Balcarek, Peter; Giesinger, Johannes; Biedermann, Rainer; Liebensteiner, Michael Christian

2018-05-01

The correlation between tibial tuberosity-trochlear groove distance (TT-TG) and joint size, taking into account several different parameters of knee joint size as well as lower limb dimensions, is evaluated in order to assess whether TT-TG indices should be used in instead of absolute TT-TG values. This study comprised a retrospective analysis of knee CT scans, including 36 cases with patellofemoral instability (PFI) and 30 controls. Besides TT-TG, five measures of knee joint size were evaluated in axial CT slices: medio-lateral femur width, antero-posterior lateral condylar height, medio-lateral width of the tibia, width of the patella and the proximal-distal joint size (TT-TE). Furthermore, the length of the femur, the tibia and the total leg length were measured in the CT scanogram. Correlation analysis of TT-TG and the other parameters was done by calculating the Spearman correlation coefficient. In the PFI group lateral condylar height (r = 0.370), tibia width (r = 0.406) and patella width (r = 0.366) showed significant moderate correlations (p < 0.03) with TT-TG. Furthermore, we found a significant correlation between TT-TG and tibia length (r = 0.371) and total leg length (r = 381). The control group showed no significant correlation between TT-TG and knee joint size or between TT-TG and measures of lower limb length. Tibial tuberosity-trochlear groove distance correlates with several parameters of knee joint size and leg length in patients with patellofemoral instability. Application of indices determining TT-TG as a ratio of joint size could be helpful in establishing the indication for medial transfer of the tibial tuberosity in patients with PFI. Level III.

Dynamic leg length asymmetry during gait is not a valid method for estimating mild anatomic leg length discrepancy.

PubMed

Leporace, Gustavo; Batista, Luiz Alberto; Serra Cruz, Raphael; Zeitoune, Gabriel; Cavalin, Gabriel Armondi; Metsavaht, Leonardo

2018-03-01

The purpose of this study was to test the validity of dynamic leg length discrepancy (DLLD) during gait as a radiation-free screening method for measuring anatomic leg length discrepancy (ALLD). Thirty-three subjects with mild leg length discrepancy walked along a walkway and the dynamic leg length discrepancy (DLLD) was calculated using a motion analysis system. Pearson correlation and paired Student t -tests were applied to calculate the correlation and compare the differences between DLLD and ALLD (α = 0.05). The results of our study showed DLLD is not a valid method to predict ALLD in subjects with mild limb discrepancy.

Exchangeable lead from prediction models relates to vetiver lead uptake in different soil types.

PubMed

Andra, Syam S; Sarkar, Dibyendu; Saminathan, Sumathi K M; Datta, Rupali

2011-12-01

Prediction models for exchangeable soil lead, published earlier in this journal (Andra et al. 2010a), were developed using a suite of native lead (Pb) paint-contaminated residential soils from two US cities heavily populated with homes constructed prior to Pb ban in paints. In this study, we tested the feasibility and practical applications of these prediction models for developing a phytoremediation design using vetiver grass (Vetiveria zizanioides), a Pb-tolerant plant. The models were used to estimate the exchangeable fraction of Pb available for vetiver uptake in four lead-spiked soil types, both acidic and alkaline, with varying physico-chemical properties and that are different from those used to build the prediction models. Results indicate a strong correlation for predictable exchangeable Pb with the observed fraction and as well with total Pb accumulated by vetiver grass grown in these soils. The correlation coefficient for the predicted vs. observed exchangeable Pb with p < 0.001 was 0.999, 0.996, 0.949, and 0.998 in the Immokalee, Millhopper, Pahokee Muck, and Tobosa soil type, respectively. Similarly, the correlation coefficient for the predicted exchangeable Pb vs. accumulated Pb in vetiver grass with p < 0.001 was 0.948, 0.983, 0.929, and 0.969 for each soil type, respectively. This study suggests that the success of a phytoremediation design could be assessed upfront by predicting the exchangeable Pb fraction in a given soil type based on its properties. This helps in modifying the soil conditions to enhance phytoextraction of Pb from contaminated soils.

Simultaneous acquisition for T2 -T2 Exchange and T1 -T2 correlation NMR experiments

NASA Astrophysics Data System (ADS)

Montrazi, Elton T.; Lucas-Oliveira, Everton; Araujo-Ferreira, Arthur G.; Barsi-Andreeta, Mariane; Bonagamba, Tito J.

2018-04-01

The NMR measurements of longitudinal and transverse relaxation times and its multidimensional correlations provide useful information about molecular dynamics. However, these experiments are very time-consuming, and many researchers proposed faster experiments to reduce this issue. This paper presents a new way to simultaneously perform T2 -T2 Exchange and T1 -T2 correlation experiments by taking the advantage of the storage time and the two steps phase cycling used for running the relaxation exchange experiment. The data corresponding to each step is either summed or subtracted to produce the T2 -T2 and T1 -T2 data, enhancing the information obtained while maintaining the experiment duration. Comparing the results from this technique with traditional NMR experiments it was possible to validate the method.

Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals.

PubMed

Śmiga, Szymon; Fabiano, Eduardo; Laricchia, Savio; Constantin, Lucian A; Della Sala, Fabio

2015-04-21

We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded molecular systems. Meta-GGA functionals depend on the Kohn-Sham kinetic energy density (KED), which is not known as an explicit functional of the density. Therefore, they cannot be directly applied in subsystem DFT calculations. We propose a Laplacian-level approximation to the KED which overcomes this limitation and provides a simple and accurate way to apply meta-GGA exchange-correlation functionals in subsystem DFT calculations. The so obtained density and energy errors, with respect to the corresponding supermolecular calculations, are comparable with conventional approaches, depending almost exclusively on the approximations in the non-additive kinetic embedding term. An embedding energy error decomposition explains the accuracy of our method.

Fetal kidney length as a useful adjunct parameter for better determination of gestational age.

PubMed

Ugur, Mete G; Mustafa, Aynur; Ozcan, Huseyin C; Tepe, Neslihan B; Kurt, Huseyin; Akcil, Emre; Gunduz, Reyhan

2016-05-01

To determine the validity of fetal kidney length and amniotic fluid index (AFI) in labor dating.  This prospective study included 180 pregnant women followed up in the outpatient clinic at the Department of Obstetrics and Gynecology, Gaziantep University, Turkey, between January 2014 and January 2015. The gestational age (GA) was estimated by early fetal ultrasound measures and last menstrual period. Routine fetal biometric parameters, fetal kidney length, and amniotic fluid index were measured. We studied the correlation between fetal kidney length, amniotic fluid index, and gestational age.  The mean gestational age depending on last menstrual period and early ultrasound was 31.98±4.29 (24-39 weeks). The mean kidney length was 35.66±6.61 (19-49 mm). There was a significant correlation between gestational age and fetal kidney length (r=0.947, p=0.001). However, there was a moderate negative correlation between GA and AFI. Adding fetal kidney length to the routine biometrics improved the effectiveness of the model used to estimate GA (R2=0.965 to R2=0.987).  Gestational age can be better predicted by adding fetal kidney length to other routine parameters.

On the saturation of the refractive index structure function. II - Influence of the correlation length on astronomical 'seeing'

NASA Technical Reports Server (NTRS)

Venkatakrishnan, P.

1987-01-01

A physical length scale in the wavefront corresponding to the parameter (r sub 0) characterizing the loss in detail in a long exposure image is identified, and the influence of the correlation scale of turbulence as r sub 0 approaches this scale is shown. Allowing for the effect of 2-point correlations in the fluctuations of the refractive index, Venkatakrishnan and Chatterjee (1987) proposed a modified law for the phase structure function. It is suggested that the departure of the phase structure function from the 5/3 power law for length scales in the wavefront approaching the correlation scale of turbulence may lead to better 'seeing' at longer wavelengths.

Recombination rate predicts inversion size in Diptera.

PubMed Central

Cáceres, M; Barbadilla, A; Ruiz, A

1999-01-01

Most species of the Drosophila genus and other Diptera are polymorphic for paracentric inversions. A common observation is that successful inversions are of intermediate size. We test here the hypothesis that the selected property is the recombination length of inversions, not their physical length. If so, physical length of successful inversions should be negatively correlated with recombination rate across species. This prediction was tested by a comprehensive statistical analysis of inversion size and recombination map length in 12 Diptera species for which appropriate data are available. We found that (1) there is a wide variation in recombination map length among species; (2) physical length of successful inversions varies greatly among species and is inversely correlated with the species recombination map length; and (3) neither the among-species variation in inversion length nor the correlation are observed in unsuccessful inversions. The clear differences between successful and unsuccessful inversions point to natural selection as the most likely explanation for our results. Presumably the selective advantage of an inversion increases with its length, but so does its detrimental effect on fertility due to double crossovers. Our analysis provides the strongest and most extensive evidence in favor of the notion that the adaptive value of inversions stems from their effect on recombination. PMID:10471710

Design and simulation of heat exchangers using Aspen HYSYS, and Aspen exchanger design and rating for paddy drying application

NASA Astrophysics Data System (ADS)

Janaun, J.; Kamin, N. H.; Wong, K. H.; Tham, H. J.; Kong, V. V.; Farajpourlar, M.

2016-06-01

Air heating unit is one of the most important parts in paddy drying to ensure the efficiency of a drying process. In addition, an optimized air heating unit does not only promise a good paddy quality, but also save more for the operating cost. This study determined the suitable and best specifications heating unit to heat air for paddy drying in the LAMB dryer. In this study, Aspen HYSYS v7.3 was used to obtain the minimum flow rate of hot water needed. The resulting data obtained from Aspen HYSYS v7.3 were used in Aspen Exchanger Design and Rating (EDR) to generate heat exchanger design and costs. The designs include shell and tubes and plate heat exchanger. The heat exchanger was designed in order to produce various drying temperatures of 40, 50, 60 and 70°C of air with different flow rate, 300, 2500 and 5000 LPM. The optimum condition for the heat exchanger were found to be plate heat exchanger with 0.6 mm plate thickness, 198.75 mm plate width, 554.8 mm plate length and 11 numbers of plates operating at 5000 LPM air flow rate.

Scaling Exponents in Financial Markets

NASA Astrophysics Data System (ADS)

Kim, Kyungsik; Kim, Cheol-Hyun; Kim, Soo Yong

2007-03-01

We study the dynamical behavior of four exchange rates in foreign exchange markets. A detrended fluctuation analysis (DFA) is applied to detect the long-range correlation embedded in the non-stationary time series. It is for our case found that there exists a persistent long-range correlation in volatilities, which implies the deviation from the efficient market hypothesis. Particularly, the crossover is shown to exist in the scaling behaviors of the volatilities.

Global hybrids from the semiclassical atom theory satisfying the local density linear response.

PubMed

Fabiano, Eduardo; Constantin, Lucian A; Cortona, Pietro; Della Sala, Fabio

2015-01-13

We propose global hybrid approximations of the exchange-correlation (XC) energy functional which reproduce well the modified fourth-order gradient expansion of the exchange energy in the semiclassical limit of many-electron neutral atoms and recover the full local density approximation (LDA) linear response. These XC functionals represent the hybrid versions of the APBE functional [Phys. Rev. Lett. 2011, 106, 186406] yet employing an additional correlation functional which uses the localization concept of the correlation energy density to improve the compatibility with the Hartree-Fock exchange as well as the coupling-constant-resolved XC potential energy. Broad energetic and structural testing, including thermochemistry and geometry, transition metal complexes, noncovalent interactions, gold clusters and small gold-molecule interfaces, as well as an analysis of the hybrid parameters, show that our construction is quite robust. In particular, our testing shows that the resulting hybrid, including 20% of Hartree-Fock exchange and named hAPBE, performs remarkably well for a broad palette of systems and properties, being generally better than popular hybrids (PBE0 and B3LYP). Semiempirical dispersion corrections are also provided.

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

PubMed

Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

2015-08-11

The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

Correlation between pairing initiation sites, recombination nodules and meiotic recombination in Sordaria macrospora.

PubMed

Zickler, D; Moreau, P J; Huynh, A D; Slezec, A M

1992-09-01

The decrease of meiotic exchanges (crossing over and conversion) in two mutants of Sordaria macrospora correlated strongly with a reduction of chiasmata and of both types of "recombination nodules." Serial section reconstruction electron microscopy was used to compare the synapsis pattern of meiotic prophase I in wild type and mutants. First, synapsis occurred but the number of synaptonemal complex initiation sites was reduced in both mutants. Second, this reduction was accompanied by, or resulted in, modifications of the pattern of synapsis. Genetic and synaptonemal complex maps were compared in three regions along one chromosome arm divided into well marked intervals. Reciprocal exchange frequencies and number of recombination nodules correlated in wild type in the three analyzed intervals, but disparity was found between the location of recombination nodules and exchanges in the mutants. Despite the twofold exchange decrease, sections of the genome such as the short arm of chromosome 2 and telomere regions were sheltered from nodule decrease and from pairing modifications. This indicated a certain amount of diversity in the control of these features and suggested that exchange frequency was dependent not only on the amount of effective pairing but also on the localization of the pairing sites, as revealed by the synaptonemal complex progression in the mutants.

Correlation between Pairing Initiation Sites, Recombination Nodules and Meiotic Recombination in Sordaria Macrospora

PubMed Central

Zickler, D.; Moreau, PJF.; Huynh, A. D.; Slezec, A. M.

1992-01-01

The decrease of meiotic exchanges (crossing over and conversion) in two mutants of Sordaria macrospora correlated strongly with a reduction of chiasmata and of both types of ``recombination nodules.'' Serial section reconstruction electron microscopy was used to compare the synapsis pattern of meiotic prophase I in wild type and mutants. First, synapsis occurred but the number of synaptonemal complex initiation sites was reduced in both mutants. Second, this reduction was accompanied by, or resulted in, modifications of the pattern of synapsis. Genetic and synaptonemal complex maps were compared in three regions along one chromosome arm divided into well marked intervals. Reciprocal exchange frequencies and number of recombination nodules correlated in wild type in the three analyzed intervals, but disparity was found between the location of recombination nodules and exchanges in the mutants. Despite the twofold exchange decrease, sections of the genome such as the short arm of chromosome 2 and telomere regions were sheltered from nodule decrease and from pairing modifications. This indicated a certain amount of diversity in the control of these features and suggested that exchange frequency was dependent not only on the amount of effective pairing but also on the localization of the pairing sites, as revealed by the synaptonemal complex progression in the mutants. PMID:1398050

Design of distributed JT (Joule-Thomson) effect heat exchanger for superfluid 2 K cooling device

NASA Astrophysics Data System (ADS)

Jeong, S.; Park, C.; Kim, K.

2018-03-01

Superfluid at 2 K or below is readily obtained from liquid helium at 4.2 K by reducing its vapour pressure. For better cooling performance, however, the cold energy of vaporized helium at 2 K chamber can be effectively utilized in a recuperator which is specially designed in this paper for accomplishing so-called the distributed Joule-Thomson (JT) expansion effect. This paper describes the design methodology of distributed JT effect heat exchanger for 2 K JT cooling device. The newly developed heat exchanger allows continuous significant pressure drop at high-pressure part of the recuperative heat exchanger by using a capillary tube. Being different from conventional recuperative heat exchangers, the efficient JT effect HX must consider the pressure drop effect as well as the heat transfer characteristic. The heat exchanger for the distributed JT effect actively utilizes continuous pressure loss at the hot stream of the heat exchanger by using an OD of 0.64 mm and an ID of 0.4 mm capillary tube. The analysis is performed by dividing the heat exchanger into the multiple sub-units of the heat exchange part and JT valve. For more accurate estimation of the pressure drop of spirally wound capillary tube, preliminary experiments are carried out to investigate the friction factor at high Reynolds number. By using the developed pressure drop correlation and the heat transfer correlation, the specification of the heat exchanger with distributed JT effect for 2 K JT refrigerator is determined.

Thermal Analysis of Hybrid Thermal Control System and Experimental Investigation of Flow Boiling in Micro-channel Heat Exchangers

NASA Astrophysics Data System (ADS)

Lee, Seunghyun

Future manned space endeavors will require a new class of vehicles, capable of conducting different types of missions and enduring varying gravitational and temperature environments. Thermal management will play a vital role in these new vehicles, and is complicated by the need to tackle both low and high heat sink temperatures. The present study assesses the feasibility of hybrid thermal control system by thermodynamic analysis and investigates the heat transfer mechanisms in two large micro-channel heat exchangers in vapor compression mode and two-phase mode. Unlike prior published two-phase micro-channel studies that concern mostly miniature heat sinks, this study addresses transport characteristics of a heat sink containing large length-to-diameter ratio, up to 609.6 to 1,micro-channels. In the thermodynamic analysis, four different operational modes are considered: single-phase, two-phase, basic heat pump and heat pump with liquid-side, suction-side heat exchanger. A thermodynamic trade study is conducted for six different working fluids to assess important performance parameters including mass flow rate of the working fluid, maximum pressure, radiator area, compressor/pump work, and coefficient of performance (COP). R134a is determined to be most suitable based on its ability to provide a balanced compromise between reducing flow rate and maintaining low system pressure, and a moderate coefficient of performance (COP); this fluid is also both nontoxic and nonflammable, and features zero ozone depletion potential (ODP) and low global warming potential (GWP). It is shown how specific mission stages dictate which mode of operation is most suitable, and this information is used to size the radiator for the H-TCS. The experimental flow boiling investigation consists of exploring the steady-state and the transient two-phase heat transfer characteristics of two large micro-channel heat exchangers that serve as evaporators in the vapor compression loop using R134a as refrigerant. Both heat exchangers feature parallel micro-channels with identical 1x1-mm2 cross-sections. The evaporators are connected in series, with the smaller 152.4-mm long heat exchanger situated upstream of the larger 609.6-mm long heat exchanger. In the steady-state characteristics part, it is shown low qualities are associated with slug flow and dominated by nucleate boiling, and high qualities with annular flow and convective boiling. Important transition points between the different heat transfer regimes are identified as (1) intermittent dryout, resulting from vapor blanket formation in liquid slugs and/or partial dryout in the liquid film surrounding elongated bubbles, (2) incipient dryout, resulting from dry patch formation in the annular film, and (3) complete dryout, following which the wall has to rely entirely on the mild cooling provided by droplets deposited from the vapor core. In the transient characteristics part, heat transfer measurement and high speed video are used to investigate variations of heat transfer coefficient with quality for different mass velocities and heat fluxes, as well as transient fluid flow and heat transfer behavior. An important transient phenomenon that influences both fluid flow and heat transfer is a liquid wave composed of remnants of liquid slugs from the slug flow regime. The liquid wave serves to replenish dry wall patches in the slug flow regime and to a lesser extent the annular regime. Unlike small heat sinks employed in the electronics industry, TCS heat sinks are characterized by large length-to-diameter ratio, for which limited information is presently available. The large length-to-diameter ratio of 609.6 is especially instrumental to capturing detailed axial variations of flow pattern and corresponding variations in local heat transfer coefficient. High-speed video analysis of the inlet plenum shows appreciable vapor backflow under certain operating conditions, which is also reflected in periodic oscillations in the measured pressure drop. In fact, the backflow frequency captured by video matches closely the frequency obtained from Fourier analysis of the pressure drop signal. It is shown the periodic oscillations and vapor backflow are responsible for initiating intermittent dryout and appreciable drop in local heat transfer coefficient in the downstream regions of the channels. A parametric study of oscillation frequency shows a dependence on four dimensionless parameters that account for amount of vapor generation, subcooling, and upstream liquid length, in addition to Weber number. A new correlation for oscillation frequency is constructed that captures the frequency variations relative to these individual parameters. (Abstract shortened by ProQuest.).

Nonmetallic electronegativity equalization and point-dipole interaction model including exchange interactions for molecular dipole moments and polarizabilities.

PubMed

Smalø, Hans S; Astrand, Per-Olof; Jensen, Lasse

2009-07-28

The electronegativity equalization model (EEM) has been combined with a point-dipole interaction model to obtain a molecular mechanics model consisting of atomic charges, atomic dipole moments, and two-atom relay tensors to describe molecular dipole moments and molecular dipole-dipole polarizabilities. The EEM has been phrased as an atom-atom charge-transfer model allowing for a modification of the charge-transfer terms to avoid that the polarizability approaches infinity for two particles at infinite distance and for long chains. In the present work, these shortcomings have been resolved by adding an energy term for transporting charges through individual atoms. A Gaussian distribution is adopted for the atomic charge distributions, resulting in a damping of the electrostatic interactions at short distances. Assuming that an interatomic exchange term may be described as the overlap between two electronic charge distributions, the EEM has also been extended by a short-range exchange term. The result is a molecular mechanics model where the difference of charge transfer in insulating and metallic systems is modeled regarding the difference in bond length between different types of system. For example, the model is capable of modeling charge transfer in both alkanes and alkenes with alternating double bonds with the same set of carbon parameters only relying on the difference in bond length between carbon sigma- and pi-bonds. Analytical results have been obtained for the polarizability of a long linear chain. These results show that the model is capable of describing the polarizability scaling both linearly and nonlinearly with the size of the system. Similarly, a linear chain with an end atom with a high electronegativity has been analyzed analytically. The dipole moment of this model system can either be independent of the length or increase linearly with the length of the chain. In addition, the model has been parametrized for alkane and alkene chains with data from density functional theory calculations, where the polarizability behaves differently with the chain length. For the molecular dipole moment, the same two systems have been studied with an aldehyde end group. Both the molecular polarizability and the dipole moment are well described as a function of the chain length for both alkane and alkene chains demonstrating the power of the presented model.

Advanced electric propulsion research, 1991

NASA Technical Reports Server (NTRS)

Monheiser, Jeffery M.

1992-01-01

A simple model for the production of ions that impinge on and sputter erode the accelerator grid of an ion thruster is presented. Charge-exchange and electron-impact ion production processes are considered, but initial experimental results suggest the charge-exchange process dominates. Additional experimental results show the effects of changes in thruster operating conditions on the length of the region from which these ions are drawn upstream into the grid. Results which show erosion patterns and indicate molybdenum accelerator grids erode more rapidly than graphite ones are also presented.

Flow-synchronous field motion refrigeration

DOEpatents

Hassen, Charles N.

2017-08-22

An improved method to manage the flow of heat in an active regenerator in a magnetocaloric or an electrocaloric heat-pump refrigeration system, in which heat exchange fluid moves synchronously with the motion of a magnetic or electric field. Only a portion of the length of the active regenerator bed is introduced to or removed from the field at one time, and the heat exchange fluid flows from the cold side toward the hot side while the magnetic or electric field moves along the active regenerator bed.

Dynamic communities in multichannel data: an application to the foreign exchange market during the 2007-2008 credit crisis.

PubMed

Fenn, Daniel J; Porter, Mason A; McDonald, Mark; Williams, Stacy; Johnson, Neil F; Jones, Nick S

2009-09-01

We study the cluster dynamics of multichannel (multivariate) time series by representing their correlations as time-dependent networks and investigating the evolution of network communities. We employ a node-centric approach that allows us to track the effects of the community evolution on the functional roles of individual nodes without having to track entire communities. As an example, we consider a foreign exchange market network in which each node represents an exchange rate and each edge represents a time-dependent correlation between the rates. We study the period 2005-2008, which includes the recent credit and liquidity crisis. Using community detection, we find that exchange rates that are strongly attached to their community are persistently grouped with the same set of rates, whereas exchange rates that are important for the transfer of information tend to be positioned on the edges of communities. Our analysis successfully uncovers major trading changes that occurred in the market during the credit crisis.

Dynamic communities in multichannel data: An application to the foreign exchange market during the 2007-2008 credit crisis

NASA Astrophysics Data System (ADS)

Fenn, Daniel J.; Porter, Mason A.; McDonald, Mark; Williams, Stacy; Johnson, Neil F.; Jones, Nick S.

2009-09-01

We study the cluster dynamics of multichannel (multivariate) time series by representing their correlations as time-dependent networks and investigating the evolution of network communities. We employ a node-centric approach that allows us to track the effects of the community evolution on the functional roles of individual nodes without having to track entire communities. As an example, we consider a foreign exchange market network in which each node represents an exchange rate and each edge represents a time-dependent correlation between the rates. We study the period 2005-2008, which includes the recent credit and liquidity crisis. Using community detection, we find that exchange rates that are strongly attached to their community are persistently grouped with the same set of rates, whereas exchange rates that are important for the transfer of information tend to be positioned on the edges of communities. Our analysis successfully uncovers major trading changes that occurred in the market during the credit crisis.

Sotos Syndrome. Clinical Exchange.

ERIC Educational Resources Information Center

Shuey, Elaine M.; Jamison, Kristen

1996-01-01

Sotos syndrome is characterized by high birth length, rapid bone growth, distinctive facial features, and possible verbal and motor delays. It is more common in males than females. Developmental deficits, specific learning problems, and speech/language delays may also occur. (DB)

Water-salt exchange during bedrest of varying duration

NASA Technical Reports Server (NTRS)

Natochin, Y. V.

1978-01-01

Problems associated with the status of water-sodium metabolism under bedrest programs of varying lengths were studied. The dynamics of electrolyte concentration in blood serum, functional status of kidney osmosis regulating function, and other problems are discussed.

28-Bit serial word simulator/monitor

NASA Technical Reports Server (NTRS)

Durbin, J. W.

1979-01-01

Modular interface unit transfers data at high speeds along four channels. Device expedites variable-word-length communication between computers. Operation eases exchange of bit information by automatically reformatting coded input data and status information to match requirements of output.

Effective field model of roughness in magnetic nano-structures

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

Lepadatu, Serban, E-mail: SLepadatu@uclan.ac.uk

2015-12-28

An effective field model is introduced here within the micromagnetics formulation, to study roughness in magnetic structures, by considering sub-exchange length roughness levels as a perturbation on a smooth structure. This allows the roughness contribution to be separated, which is found to give rise to an effective configurational anisotropy for both edge and surface roughness, and accurately model its effects with fine control over the roughness depth without the explicit need to refine the computational cell size to accommodate the roughness profile. The model is validated by comparisons with directly roughened structures for a series of magnetization switching and domainmore » wall velocity simulations and found to be in excellent agreement for roughness levels up to the exchange length. The model is further applied to vortex domain wall velocity simulations with surface roughness, which is shown to significantly modify domain wall movement and result in dynamic pinning and stochastic creep effects.« less

An Evaluation of Two Methods for Generating Synthetic HL7 Segments Reflecting Real-World Health Information Exchange Transactions

PubMed Central

Mwogi, Thomas S.; Biondich, Paul G.; Grannis, Shaun J.

2014-01-01

Motivated by the need for readily available data for testing an open-source health information exchange platform, we developed and evaluated two methods for generating synthetic messages. The methods used HL7 version 2 messages obtained from the Indiana Network for Patient Care. Data from both methods were analyzed to assess how effectively the output reflected original ‘real-world’ data. The Markov Chain method (MCM) used an algorithm based on transitional probability matrix while the Music Box model (MBM) randomly selected messages of particular trigger type from the original data to generate new messages. The MBM was faster, generated shorter messages and exhibited less variation in message length. The MCM required more computational power, generated longer messages with more message length variability. Both methods exhibited adequate coverage, producing a high proportion of messages consistent with original messages. Both methods yielded similar rates of valid messages. PMID:25954458

Length of the solar cycle influence on the relationship NAO-Northern Hemisphere Temperature

NASA Astrophysics Data System (ADS)

de La Torre, L.; Gimeno, L.; Tesouro, M.; Añel, J. A.; Nieto, R.; Ribera, P.; García, R.; Hernández, E.

2003-04-01

The influence of the length of the solar cycle on the relationship North Atlantic Oscillation (NAO)-Northern Hemisphere Temperature (NHT) is investigated. The results suggest that this relationship is different according to the length of the solar cycle. When the sunspot cycle is 10 or 11 years long, wintertime NAO and NHT are positively correlated, being the signal more intense during 11 years period, but when the sunspot cycle is longer (12 years) correlations between wintertime NAO and NHT are not significant. In fact there are significant negative correlations between wintertime NAO and spring NHT, with predictive potential.

Correlations of multiscale entropy in the FX market

NASA Astrophysics Data System (ADS)

Stosic, Darko; Stosic, Dusan; Ludermir, Teresa; Stosic, Tatijana

2016-09-01

The regularity of price fluctuations in exchange rates plays a crucial role in FX market dynamics. Distinct variations in regularity arise from economic, social and political events, such as interday trading and financial crisis. This paper applies a multiscale time-dependent entropy method on thirty-three exchange rates to analyze price fluctuations in the FX. Correlation matrices of entropy values, termed entropic correlations, are in turn used to describe global behavior of the market. Empirical results suggest a weakly correlated market with pronounced collective behavior at bi-weekly trends. Correlations arise from cycles of low and high regularity in long-term trends. Eigenvalues of the correlation matrix also indicate a dominant European market, followed by shifting American, Asian, African, and Pacific influences. As a result, we find that entropy is a powerful tool for extracting important information from the FX market.

Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?

PubMed

Nemykin, Victor N; Hadt, Ryan G; Belosludov, Rodion V; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

2007-12-20

A time-dependent density functional theory (TDDFT) approach coupled with 14 different exchange-correlation functionals was used for the prediction of vertical excitation energies in zinc phthalocyanine (PcZn). In general, the TDDFT approach provides a more accurate description of both visible and ultraviolet regions of the UV-vis and magnetic circular dichroism (MCD) spectra of PcZn in comparison to the more popular semiempirical ZINDO/S and PM3 methods. It was found that the calculated vertical excitation energies of PcZn correlate with the amount of Hartree-Fock exchange involved in the exchange-correlation functional. The correlation was explained on the basis of the calculated difference in energy between occupied and unoccupied molecular orbitals. The influence of PcZn geometry, optimized using different exchange-correlation functionals, on the calculated vertical excitation energies in PcZn was found to be relatively small. The influence of solvents on the calculated vertical excitation energies in PcZn was considered for the first time using a polarized continuum model TDDFT (PCM-TDDFT) method and was found to be relatively small in excellent agreement with the experimental data. For all tested TDDFT and PCM-TDDFT cases, an assignment of the Q-band as an almost pure a1u (HOMO)-->eg (LUMO) transition, initially suggested by Gouterman, was confirmed. Pure exchange-correlation functionals indicate the presence of six 1Eu states in the B-band region of the UV-vis spectrum of PcZn, while hybrid exchange-correlation functionals predict only five 1Eu states for the same energy envelope. The first two symmetry-forbidden n-->pi* transitions were predicted in the Q0-2 region and in the low-energy tail of the B-band, while the first two symmetry-allowed n-->pi* transitions were found within the B-band energy envelope when pure exchange-correlation functionals were used for TDDFT calculations. The presence of a symmetry-forbidden but vibronically allowed n-->pi* transition in the Q0-2 spectral envelope explains the long-time controversy between the experimentally observed low-intensity transition in the Q0-2 region and previous semiempirical and TDDFT calculations, which were unable to predict any electronic transitions in this area. To prove the conceptual possibility of the presence of several degenerate 1Eu states in the B-band region of PcZn, room-temperature UV-vis and MCD spectra of zinc tetra-tert-butylphthalocyanine (PctZn) in non-coordinating solvents were recorded and analyzed using band deconvolution analysis. It was found that the B-band region of the UV-vis and MCD spectra of PctZn can be easily deconvoluted using six MCD Faraday A-terms and two MCD Faraday B-terms with energies close to those predicted by TDDFT calculations for 1Eu and 1A2u excited states, respectively. Such a good agreement between theory and experiment clearly indicates the possibility of employing a TDDFT approach for the accurate prediction of vertical excitation energies in phthalocyanines within a large energy range.

Liquid over-feeding refrigeration system and method with integrated accumulator-expander-heat exchanger

DOEpatents

Mei, Viung C.; Chen, Fang C.

1997-01-01

A refrigeration system having a vapor compression cycle utilizing a liquid over-feeding operation with an integrated accumulator-expander-heat exchanger. Hot, high-pressure liquid refrigerant from the condenser passes through one or more lengths of capillary tubing substantially immersed in a pool liquid refrigerant in the accumulator-expander-heat exchanger for simultaneously sub-cooling and expanding the liquid refrigerant while vaporizing liquid refrigerant from the pool for the return thereof to the compressor as saturated vapor. The sub-cooling of the expanded liquid provides for the flow of liquid refrigerant into the evaporator for liquid over-feeding the evaporator and thereby increasing the efficiency of the evaporation cycle.

Liquid over-feeding refrigeration system and method with integrated accumulator-expander-heat exchanger

DOEpatents

Mei, V.C.; Chen, F.C.

1997-04-22

A refrigeration system is described having a vapor compression cycle utilizing a liquid over-feeding operation with an integrated accumulator-expander-heat exchanger. Hot, high-pressure liquid refrigerant from the condenser passes through one or more lengths of capillary tubing substantially immersed in a pool liquid refrigerant in the accumulator-expander-heat exchanger for simultaneously sub-cooling and expanding the liquid refrigerant while vaporizing liquid refrigerant from the pool for the return thereof to the compressor as saturated vapor. The sub-cooling of the expanded liquid provides for the flow of liquid refrigerant into the evaporator for liquid over-feeding the evaporator and thereby increasing the efficiency of the evaporation cycle. 4 figs.

Carbon dioxide exchange between an undisturbed old-growth temperate forest and the atmosphere

Treesearch

D.Y. Hollinger; F.M. Kelliher; J.N. Byers; J.E. Hunt; T.M. McSeveny; P.L. Weir

1994-01-01

We used the eddy-correlation technique to investigate the exchange of C02 between an undisturbed old-growth forest and the atmosphere at a remote Southern Hemisphere site on 15 d between 1989 and 1990. Our goal was to determine how environmental factors regulate ecosystem CO2 exchange, and to test whether present knowledge...

76 FR 33795 - Self-Regulatory Organizations; NYSE Arca, Inc.; Notice of Filing and Immediate Effectiveness of...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-09

... with respect to ETP Holders and the equities business of the Exchange that was lost with the... respect to ETP Holders and the equities business of the Exchange. The Exchange will monitor the amount of... raise revenue related to the amount of equity business conducted, which correlates more closely with the...

Carbon dioxide and water vapour exchange in a tropical dry forest as influenced by the North American Monsoon System (NAMS)

USDA-ARS?s Scientific Manuscript database

To better understand the effects and relationship between precipitation, net ecosystem carbon dioxide (NEE) and water vapor exchange (ET), we report a study conducted in the tropical dry forest (TDF) in the northwest of Mexico. Ecosystem gas exchange was measured using the eddy correlation technique...

Modeling the demand-price relations in a high-frequency foreign exchange market

NASA Astrophysics Data System (ADS)

Schmidt, Anatoly B.

1999-09-01

A stochastic nonlinear dynamics model is introduced in terms of observable variables (price and excess demand assumed to be proportional to the number of buyers) to describe a high-frequency foreign exchange market. It is shown how the fundamentalist and chartist patterns of the trader behavior affect the correlation between excess demand and exchange rates.

Analysis of high-resolution foreign exchange data of USD-JPY for 13 years

NASA Astrophysics Data System (ADS)

Mizuno, Takayuki; Kurihara, Shoko; Takayasu, Misako; Takayasu, Hideki

2003-06-01

We analyze high-resolution foreign exchange data consisting of 20 million data points of USD-JPY for 13 years to report firm statistical laws in distributions and correlations of exchange rate fluctuations. A conditional probability density analysis clearly shows the existence of trend-following movements at time scale of 8-ticks, about 1 min.

Can we predict body height from segmental bone length measurements? A study of 3,647 children.

PubMed

Cheng, J C; Leung, S S; Chiu, B S; Tse, P W; Lee, C W; Chan, A K; Xia, G; Leung, A K; Xu, Y Y

1998-01-01

It is well known that significant differences exist in the anthropometric data of different races and ethnic groups. This is a cross-sectional study on segmental bone length based on 3,647 Chinese children of equal sex distribution aged 3-18 years. The measurements included standing height, weight, arm span, foot length, and segmental bone length of the humerus, radius, ulna, and tibia. A normality growth chart of all the measured parameters was constructed. Statistical analysis of the results showed a very high linear correlation of height with arm span, foot length, and segmental bone lengths with a correlation coefficient of 0.96-0.99 for both sexes. No differences were found between the right and left side of all the segmental bone lengths. These Chinese children were found to have a proportional limb segmental length relative to the trunk.

Surface correlation behaviors of metal-organic Langmuir-Blodgett films on differently passivated Si(001) surfaces

NASA Astrophysics Data System (ADS)

Bal, J. K.; Kundu, Sarathi

2013-03-01

Langmuir-Blodgett films of standard amphiphilic molecules like nickel arachidate and cadmium arachidate are grown on wet chemically passivated hydrophilic (OH-Si), hydrophobic (H-Si), and hydrophilic plus hydrophobic (Br-Si) Si(001) surfaces. Top surface morphologies and height-difference correlation functions g(r) with in-plane separation (r) are obtained from the atomic force microscopy studies. Our studies show that deposited bilayer and trilayer films have self-affine correlation behavior irrespective of different passivations and different types of amphiphilic molecules, however, liquid like correlation coexists only for a small part of r, which is located near the cutoff length (1/κ) or little below the correlation length ξ obtained from the liquid like and self-affine fitting, respectively. Thus, length scale dependent surface correlation behavior is observed for both types of Langmuir-Blodgett films. Metal ion specific interactions (ionic, covalent, etc.,) in the headgroup and the nature of the terminated bond (polar, nonpolar, etc.,) of Si surface are mainly responsible for having different correlation parameters.

Statistical properties of the yuan exchange rate index

NASA Astrophysics Data System (ADS)

Wang, Dong-Hua; Yu, Xiao-Wen; Suo, Yuan-Yuan

2012-06-01

We choice the yuan exchange rate index based on a basket of currencies as the effective exchange rate of the yuan and investigate the statistical properties of the yuan exchange rate index after China's exchange rate system reform on the 21st July 2005. After dividing the time series into two parts according to the change in the yuan exchange rate regime in July 2008, we compare the statistical properties of the yuan exchange rate index during these two periods. We find that the distribution of the two return series has the exponential form. We also perform the detrending moving average analysis (DMA) and the multifractal detrending moving average analysis (MFDMA). The two periods possess different degrees of long-range correlations, and the multifractal nature is also unveiled in these two time series. Significant difference is found in the scaling exponents τ(q) and singularity spectra f(α) of the two periods obtained from the MFDMA analysis. Besides, in order to detect the sources of multifractality, shuffling and phase randomization procedures are applied to destroy the long-range temporal correlation and fat-tailed distribution of the yuan exchange rate index respectively. We find that the fat-tailedness plays a critical role in the sources of multifractality in the first period, while the long memory is the major cause in the second period. The results suggest that the change in China's exchange rate regime in July 2008 gives rise to the different multifractal properties of the yuan exchange rate index in these two periods, and thus has an effect on the effective exchange rate of the yuan after the exchange rate reform on the 21st July 2005.

Optimal design of microtube recuperators for an indirect supercritical carbon dioxide recompression closed Brayton cycle

DOE PAGES

Jiang, Yuan; Liese, Eric; Zitney, Stephen E.; ...

2018-02-25

This paper presents a baseline design and optimization approach developed in Aspen Custom Modeler (ACM) for microtube shell-and-tube exchangers (MSTEs) used for high- and low-temperature recuperation in a 10 MWe indirect supercritical carbon dioxide (sCO 2) recompression closed Brayton cycle (RCBC). The MSTE-type recuperators are designed using one-dimensional models with thermal-hydraulic correlations appropriate for sCO 2 and properties models that capture considerable nonlinear changes in CO 2 properties near the critical and pseudo-critical points. Using the successive quadratic programming (SQP) algorithm in ACM, optimal recuperator designs are obtained for either custom or industry-standard microtubes considering constraints based on current advancedmore » manufacturing techniques. The three decision variables are the number of tubes, tube pitch-to-diameter ratio, and tube diameter. Five different objective functions based on different key design measures are considered: minimization of total heat transfer area, heat exchanger volume, metal weight, thermal residence time, and maximization of compactness. Sensitivities studies indicate the constraint on the maximum number of tubes per shell does affect the number of parallel heat exchanger trains but not the tube selection, total number of tubes, tube length and other key design measures in the final optimal design when considering industry-standard tubes. In this study, the optimally designed high- and low-temperature recuperators have 47,000 3/32 inch tubes and 63,000 1/16 inch tubes, respectively. In addition, sensitivities to the design temperature approach and maximum allowable pressure drop are studied, since these specifications significantly impact the optimal design of the recuperators as well as the thermal efficiency and the economic performance of the entire sCO 2 Brayton cycle.« less

Energy exchange dynamics across L–H transitions in NSTX

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

Diallo, A.; Banerjee, S.; Zweben, S. J.

Here, we studied the energy exchange dynamics across the low-to-high-confinement (L–H) transition in NSTX discharges using the gas-puff imaging (GPI) diagnostic. The investigation focused on the energy exchange between flows and turbulence to help clarify the mechanism of the L–H transition. We applied this study to three types of heating schemes, including a total of 17 shots from the NSTX 2010 campaign run. Results show that the edge fluctuation characteristics (fluctuation levels, radial and poloidal correlation lengths) measured using GPI do not vary just prior to the H-mode transition, but change after the transition. Using a velocimetry approach (orthogonal-dynamics programming), velocity fields of amore » $$24\\times 30$$ cm GPI view during the L–H transition were obtained with good spatial (~1 cm) and temporal (~2.5 μs) resolutions. Analysis using these velocity fields shows that the production term is systematically negative just prior to the L–H transition, indicating a transfer from mean flows to turbulence, which is inconsistent with the predator–prey paradigm. Moreover, the inferred absolute value of the production term is two orders of magnitude too small to explain the observed rapid L–H transition. These discrepancies are further reinforced by consideration of the ratio between the kinetic energy in the mean flow to the thermal free energy, which is estimated to be much less than 1, suggesting again that the turbulence depletion mechanism may not play an important role in the transition to the H-mode. Although the Reynolds work therefore appears to be too small to directly deplete the turbulent free energy reservoir, order-of-magnitude analysis shows that the Reynolds stress may still make a non-negligible contribution to the observed poloidal flows.« less

JTMIX - CRYOGENIC MIXED FLUID JOULE-THOMSON ANALYSIS PROGRAM

NASA Technical Reports Server (NTRS)

Jones, J. A.

1994-01-01

JTMIX was written to allow the prediction of both ideal and realistic properties of mixed gases in the 65-80K temperature range. It allows mixed gas J-T analysis for any fluid combination of neon, nitrogen, various hydrocarbons, argon, oxygen, carbon monoxide, carbon dioxide, and hydrogen sulfide. When used in conjunction with the NIST computer program DDMIX, JTMIX has accurately predicted order-of-magnitude increases in J-T cooling capacities when various hydrocarbons are added to nitrogen, and it predicts nitrogen normal boiling point depressions to as low as 60K when neon is added. JTMIX searches for heat exchanger "pinch points" that can result from insolubility of various components in each other. These points result in numerical solutions that cannot exist. The length of the heat exchanger is searched for such points and, if they exist, the user is warned and the temperatures and heat exchanger effectiveness are corrected to provide a real solution. JTMIX gives very good correlation (within data accuracy) to mixed gas data published by the USSR and data taken by APD for the U.S. Naval Weapons Lab. Data taken at JPL also confirms JTMIX for all cases tested. JTMIX is written in Turbo C for IBM PC compatible computers running MS-DOS. The National Institute of Standards and Technology's (NIST, Gaithersburg, MD, 301-975-2208) computer code DDMIX is required to provide mixed-fluid enthalpy data which is input into JTMIX. The standard distribution medium for this program is a 5.25 inch 360K MS-DOS format diskette. JTMIX was developed in 1991 and is a copyrighted work with all copyright vested in NASA.

Mechanism of Protein Denaturation: Partial Unfolding of the P22 Coat Protein I-Domain by Urea Binding

PubMed Central

Newcomer, Rebecca L.; Fraser, LaTasha C.R.; Teschke, Carolyn M.; Alexandrescu, Andrei T.

2015-01-01

The I-domain is an insertion domain of the bacteriophage P22 coat protein that drives rapid folding and accounts for over half of the stability of the full-length protein. We sought to determine the role of hydrogen bonds (H-bonds) in the unfolding of the I-domain by examining 3JNC’ couplings transmitted through H-bonds, the temperature and urea-concentration dependence of 1HN and 15N chemical shifts, and native-state hydrogen exchange at urea concentrations where the domain is predominantly folded. The native-state hydrogen-exchange data suggest that the six-stranded β-barrel core of the I-domain is more stable against unfolding than a smaller subdomain comprised of a short α-helix and three-stranded β-sheet. H-bonds, separately determined from solvent protection and 3JNC’ H-bond couplings, are identified with an accuracy of 90% by 1HN temperature coefficients. The accuracy is improved to 95% when 15N temperature coefficients are also included. In contrast, the urea dependence of 1HN and 15N chemical shifts is unrelated to H-bonding. The protein segments with the largest chemical-shift changes in the presence of urea show curved or sigmoidal titration curves suggestive of direct urea binding. Nuclear Overhauser effects to urea for these segments are also consistent with specific urea-binding sites in the I-domain. Taken together, the results support a mechanism of urea unfolding in which denaturant binds to distinct sites in the I-domain. Disordered segments bind urea more readily than regions in stable secondary structure. The locations of the putative urea-binding sites correlate with the lower stability of the structure against solvent exchange, suggesting that partial unfolding of the structure is related to urea accessibility. PMID:26682823

Energy exchange dynamics across L-H transitions in NSTX

NASA Astrophysics Data System (ADS)

Diallo, A.; Banerjee, S.; Zweben, S. J.; Stoltzfus-Dueck, T.

2017-06-01

We studied the energy exchange dynamics across the low-to-high-confinement (L-H) transition in NSTX discharges using the gas-puff imaging (GPI) diagnostic. The investigation focused on the energy exchange between flows and turbulence to help clarify the mechanism of the L-H transition. We applied this study to three types of heating schemes, including a total of 17 shots from the NSTX 2010 campaign run. Results show that the edge fluctuation characteristics (fluctuation levels, radial and poloidal correlation lengths) measured using GPI do not vary just prior to the H-mode transition, but change after the transition. Using a velocimetry approach (orthogonal-dynamics programming), velocity fields of a 24× 30 cm GPI view during the L-H transition were obtained with good spatial (˜1 cm) and temporal (˜2.5 μs) resolutions. Analysis using these velocity fields shows that the production term is systematically negative just prior to the L-H transition, indicating a transfer from mean flows to turbulence, which is inconsistent with the predator-prey paradigm. Moreover, the inferred absolute value of the production term is two orders of magnitude too small to explain the observed rapid L-H transition. These discrepancies are further reinforced by consideration of the ratio between the kinetic energy in the mean flow to the thermal free energy, which is estimated to be much less than 1, suggesting again that the turbulence depletion mechanism may not play an important role in the transition to the H-mode. Although the Reynolds work therefore appears to be too small to directly deplete the turbulent free energy reservoir, order-of-magnitude analysis shows that the Reynolds stress may still make a non-negligible contribution to the observed poloidal flows.

Energy exchange dynamics across L–H transitions in NSTX

DOE PAGES

Diallo, A.; Banerjee, S.; Zweben, S. J.; ...

2017-05-10

Here, we studied the energy exchange dynamics across the low-to-high-confinement (L–H) transition in NSTX discharges using the gas-puff imaging (GPI) diagnostic. The investigation focused on the energy exchange between flows and turbulence to help clarify the mechanism of the L–H transition. We applied this study to three types of heating schemes, including a total of 17 shots from the NSTX 2010 campaign run. Results show that the edge fluctuation characteristics (fluctuation levels, radial and poloidal correlation lengths) measured using GPI do not vary just prior to the H-mode transition, but change after the transition. Using a velocimetry approach (orthogonal-dynamics programming), velocity fields of amore » $$24\\times 30$$ cm GPI view during the L–H transition were obtained with good spatial (~1 cm) and temporal (~2.5 μs) resolutions. Analysis using these velocity fields shows that the production term is systematically negative just prior to the L–H transition, indicating a transfer from mean flows to turbulence, which is inconsistent with the predator–prey paradigm. Moreover, the inferred absolute value of the production term is two orders of magnitude too small to explain the observed rapid L–H transition. These discrepancies are further reinforced by consideration of the ratio between the kinetic energy in the mean flow to the thermal free energy, which is estimated to be much less than 1, suggesting again that the turbulence depletion mechanism may not play an important role in the transition to the H-mode. Although the Reynolds work therefore appears to be too small to directly deplete the turbulent free energy reservoir, order-of-magnitude analysis shows that the Reynolds stress may still make a non-negligible contribution to the observed poloidal flows.« less

Optimal design of microtube recuperators for an indirect supercritical carbon dioxide recompression closed Brayton cycle

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

Jiang, Yuan; Liese, Eric; Zitney, Stephen E.

This paper presents a baseline design and optimization approach developed in Aspen Custom Modeler (ACM) for microtube shell-and-tube exchangers (MSTEs) used for high- and low-temperature recuperation in a 10 MWe indirect supercritical carbon dioxide (sCO 2) recompression closed Brayton cycle (RCBC). The MSTE-type recuperators are designed using one-dimensional models with thermal-hydraulic correlations appropriate for sCO 2 and properties models that capture considerable nonlinear changes in CO 2 properties near the critical and pseudo-critical points. Using the successive quadratic programming (SQP) algorithm in ACM, optimal recuperator designs are obtained for either custom or industry-standard microtubes considering constraints based on current advancedmore » manufacturing techniques. The three decision variables are the number of tubes, tube pitch-to-diameter ratio, and tube diameter. Five different objective functions based on different key design measures are considered: minimization of total heat transfer area, heat exchanger volume, metal weight, thermal residence time, and maximization of compactness. Sensitivities studies indicate the constraint on the maximum number of tubes per shell does affect the number of parallel heat exchanger trains but not the tube selection, total number of tubes, tube length and other key design measures in the final optimal design when considering industry-standard tubes. In this study, the optimally designed high- and low-temperature recuperators have 47,000 3/32 inch tubes and 63,000 1/16 inch tubes, respectively. In addition, sensitivities to the design temperature approach and maximum allowable pressure drop are studied, since these specifications significantly impact the optimal design of the recuperators as well as the thermal efficiency and the economic performance of the entire sCO 2 Brayton cycle.« less

Tracing compartment exchange by NMR diffusometry: Water in lithium-exchanged low-silica X zeolites

NASA Astrophysics Data System (ADS)

Lauerer, A.; Kurzhals, R.; Toufar, H.; Freude, D.; Kärger, J.

2018-04-01

The two-region model for analyzing signal attenuation in pulsed field gradient (PFG) NMR diffusion studies with molecules in compartmented media implies that, on their trajectory, molecules get from one region (one type of compartment) into the other one with a constant (i.e. a time-invariant) probability. This pattern has proved to serve as a good approach for considering guest diffusion in beds of nanoporous host materials, with the two regions ("compartments") identified as the intra- and intercrystalline pore spaces. It is obvious, however, that the requirements of the application of the two-region model are not strictly fulfilled given the correlation between the covered diffusion path lengths in the intracrystalline pore space and the probability of molecular "escape" from the individual crystallites. On considering water diffusion in lithium-exchanged low-silica X zeolite, we are now assuming a different position since this type of material is known to offer "traps" in the trajectories of the water molecules. Now, on attributing the water molecules in the traps and outside of the traps to these two types of regions, we perfectly comply with the requirements of the two-region model. We do, moreover, benefit from the option of high-resolution measurements owing to the combination of magic angle spinning (MAS) with PFG NMR. Data analysis via the two-region model under inclusion of the influence of nuclear magnetic relaxation yields satisfactory agreement between experimental evidence and theoretical estimates. Limitations in accuracy are shown to result from the fact that mass transfer outside of the traps is too complicated for being adequately reflected by simple Fick's laws with but one diffusivity.

Phenology of temperate trees in tropical climates

NASA Astrophysics Data System (ADS)

Borchert, Rolf; Robertson, Kevin; Schwartz, Mark D.; Williams-Linera, Guadalupe

2005-09-01

Several North American broad-leaved tree species range from the northern United States at ˜47°N to moist tropical montane forests in Mexico and Central America at 15-20°N. Along this gradient the average minimum temperatures of the coldest month (T Jan), which characterize annual variation in temperature, increase from -10 to 12°C and tree phenology changes from deciduous to leaf-exchanging or evergreen in the southern range with a year-long growing season. Between 30 and 45°N, the time of bud break is highly correlated with T Jan and bud break can be reliably predicted for the week in which mean minimum temperature rises to 7°C. Temperature-dependent deciduous phenology—and hence the validity of temperature-driven phenology models—terminates in southern North America near 30°N, where T Jan>7°C enables growth of tropical trees and cultivation of frost-sensitive citrus fruits. In tropical climates most temperate broad-leaved species exchange old for new leaves within a few weeks in January-February, i.e., their phenology becomes similar to that of tropical leaf-exchanging species. Leaf buds of the southern ecotypes of these temperate species are therefore not winter-dormant and have no chilling requirement. As in many tropical trees, bud break of Celtis, Quercus and Fagus growing in warm climates is induced in early spring by increasing daylength. In tropical climates vegetative phenology is determined mainly by leaf longevity, seasonal variation in water stress and day length. As water stress during the dry season varies widely with soil water storage, climate-driven models cannot predict tree phenology in the tropics and tropical tree phenology does not constitute a useful indicator of global warming.

Cluster fusion-fission dynamics in the Singapore stock exchange

NASA Astrophysics Data System (ADS)

Teh, Boon Kin; Cheong, Siew Ann

2015-10-01

In this paper, we investigate how the cross-correlations between stocks in the Singapore stock exchange (SGX) evolve over 2008 and 2009 within overlapping one-month time windows. In particular, we examine how these cross-correlations change before, during, and after the Sep-Oct 2008 Lehman Brothers Crisis. To do this, we extend the complete-linkage hierarchical clustering algorithm, to obtain robust clusters of stocks with stronger intracluster correlations, and weaker intercluster correlations. After we identify the robust clusters in all time windows, we visualize how these change in the form of a fusion-fission diagram. Such a diagram depicts graphically how the cluster sizes evolve, the exchange of stocks between clusters, as well as how strongly the clusters mix. From the fusion-fission diagram, we see a giant cluster growing and disintegrating in the SGX, up till the Lehman Brothers Crisis in September 2008 and the market crashes of October 2008. After the Lehman Brothers Crisis, clusters in the SGX remain small for few months before giant clusters emerge once again. In the aftermath of the crisis, we also find strong mixing of component stocks between clusters. As a result, the correlation between initially strongly-correlated pairs of stocks decay exponentially with average life time of about a month. These observations impact strongly how portfolios and trading strategies should be formulated.

Dependence of Ion Dynamics on the Polymer Chain Length in Poly(ethylene oxide)-Based Polymer Electrolytes.

PubMed

Chattoraj, Joyjit; Knappe, Marisa; Heuer, Andreas

2015-06-04

It is known from experiments that in the polymer electrolyte system, which contains poly(ethylene oxide) chains (PEO), lithium-cations (Li(+)), and bis(trifluoromethanesulfonyl)imide-anions (TFSI(-)), the cation and the anion diffusion and the ionic conductivity exhibit a similar chain-length dependence: with increasing chain length, they start dropping steadily, and later, they saturate to constant values. These results are surprising because Li-cations are strongly correlated with the polymer chains, whereas TFSI-anions do not have such bonding. To understand this phenomenon, we perform molecular dynamics simulations of this system for four different polymer chain lengths. The diffusion results obtained from our simulations display excellent agreement with the experimental data. The cation transport model based on the Rouse dynamics can successfully quantify the Li-diffusion results, which correlates Li diffusion with the polymer center-of-mass motion and the polymer segmental motion. The ionic conductivity as a function of the chain length is then estimated based on the chain-length-dependent ion diffusion, which shows a temperature-dependent deviation for short chain lengths. We argue that in the first regime, counterion correlations modify the conductivity, whereas for the long chains, the system behaves as a strong electrolyte.

Correlation Length of Energy-Containing Structures in the Base of the Solar Corona

NASA Astrophysics Data System (ADS)

Abramenko, V.; Zank, G. P.; Dosch, A. M.; Yurchyshyn, V.

2013-12-01

An essential parameter for models of coronal heating and fast solar wind acceleration that relay on the dissipation of MHD turbulence is the characteristic energy-containing length of the squared velocity and magnetic field fluctuations transverse to the mean magnetic field inside a coronal hole (CH) at the base of the corona. The characteristic length scale defines directly the heating rate. Rather surprisingly, almost nothing is known observationally about this critical parameter. Currently, only a very rough estimate of characteristic length was obtained based on the fact that the network spacing is about 30000 km. We attempted estimation of this parameter from observations of photospheric random motions and magnetic fields measured in the photosphere inside coronal holes. We found that the characteristic length scale in the photosphere is about 600-2000 km, which is much smaller than that adopted in previous models. Our results provide a critical input parameter for current models of coronal heating and should yield an improved understanding of fast solar wind acceleration. Fig. 1-- Plotted is the natural logarithm of the correlation function of the transverse velocity fluctuations u^2 versus the spatial lag r for the two CHs. The color code refers to the accumulation time intervals of 2 (blue), 5 (green), 10 (red), and 20 (black) minutes. The values of the Batchelor integral length λ the correlation length ς and the e-folding length L in km are shown. Fig. 2-- Plot of the natural logarithm of the correlation function of magnetic fluctuations b^2 versus the spatial lag r. The insert shows this plot with linear axes.

Cyclophosphamide induced in vivo sister chromatid exchanges (SCE) in Mus musculus. I: Strain differences and empirical association with relative chromosome size.

PubMed

Reimer, D L; Singh, S M

1982-01-01

The inducibility of sister chromatid exchanges (SCEs) by cyclophosphamide (CP) in bone marrow cells was evaluated in vivo in the three genetic strains of mice (C3H/s, C57BL/6J, and Balb/c). Female mice (10 to 12 wks old, mean = 22.9g, SD = 3.2g) were administered with nine hourly injections of 214.19 mg/kg 5-Bromo-2' deoxyuridine (BrdU) followed by 0, 0.048, 0.449, 4.585 or 46.93 mg/kg CP and 4 mg/kg colcemid. SCEs were evaluated following differential staining procedures of Perry and Wolff (1974). The base-line SCEs were similar in all strains with about ten SCEs/cell. Increasing CP concentrations yielded an increased level of SCEs. Most cells showed extensive damage in CP doses exceeding 4.55 mg/kg. No SCE evaluation was possible beyond this concentration. Strain differences were evident at every dose of CP, and Balb/c was the least susceptible strain to SCE induction. F1 hybrids involving C3H/s female and Balb/c male showed SCE values closer to Balb/c. Data on the association between chromosome length and frequency of SCEs are provided. They empirically establish a positive correlation (r = 0.90) between the two features. Most induced SCEs were interstitially located rather than terminally positioned on the chromosome.

Correlation potential of a test ion near a strongly charged plate.

PubMed

Lu, Bing-Sui; Xing, Xiangjun

2014-03-01

We analytically calculate the correlation potential of a test ion near a strongly charged plate inside a dilute m:-n electrolyte. We do this by calculating the electrostatic Green's function in the presence of a nonlinear background potential, the latter having been obtained using the nonlinear Poisson-Boltzmann theory. We consider the general case where the dielectric constants of the plate and the electrolyte are distinct. The following generic results emerge from our analyses: (1) If the distance to the plate Δz is much larger than a Gouy-Chapman length, the plate surface will behave effectively as an infinitely charged surface, and the dielectric constant of the plate effectively plays no role. (2) If Δz is larger than a Gouy-Chapman length but shorter than a Debye length, the correlation potential can be interpreted in terms of an image charge that is three times larger than the source charge. This behavior is independent of the valences of the ions. (3) The Green's function vanishes inside the plate if the surface charge density is infinitely large; hence the electrostatic potential is constant there. In this respect, a strongly charged plate behaves like a conductor plate. (4) If Δz is smaller than a Gouy-Chapman length, the correlation potential is dominated by the conventional image charge due to the dielectric discontinuity at the interface. (5) If Δz is larger than a Debye length, the leading order behavior of the correlation potential will depend on the valences of the ions in the electrolyte. Furthermore, inside an asymmetric electrolyte, the correlation potential is singly screened, i.e., it undergoes exponential decay with a decay width equal to the Debye length.

Role of anthropometric data in the prediction of 4-stranded hamstring graft size in anterior cruciate ligament reconstruction.

PubMed

Ho, Sean Wei Loong; Tan, Teong Jin Lester; Lee, Keng Thiam

2016-03-01

To evaluate whether pre-operative anthropometric data can predict the optimal diameter and length of hamstring tendon autograft for anterior cruciate ligament (ACL) reconstruction. This was a cohort study that involved 169 patients who underwent single-bundle ACL reconstruction (single surgeon) with 4-stranded MM Gracilis and MM Semi-Tendinosus autografts. Height, weight, body mass index (BMI), gender, race, age and -smoking status were recorded pre-operatively. Intra-operatively, the diameter and functional length of the 4-stranded autograft was recorded. Multiple regression analysis was used to determine the relationship between the anthropometric measurements and the length and diameter of the implanted autografts. The strongest correlation between 4-stranded hamstring autograft diameter was height and weight. This correlation was stronger in females than males. BMI had a moderate correlation with the diameter of the graft in females. Females had a significantly smaller graft both in diameter and length when compared with males. Linear regression models did not show any significant correlation between hamstring autograft length with height and weight (p>0.05). Simple regression analysis demonstrated that height and weight can be used to predict hamstring graft diameter. The following regression equation was obtained for females: Graft diameter=0.012+0.034*Height+0.026*Weight (R2=0.358, p=0.004) The following regression equation was obtained for males: Graft diameter=5.130+0.012*Height+0.007*Weight (R2=0.086, p=0.002). Pre-operative anthropometric data has a positive correlation with the diameter of 4 stranded hamstring autografts but no significant correlation with the length. This data can be utilised to predict the autograft diameter and may be useful for pre-operative planning and patient counseling for graft selection.

Relationship of lifestyle and body stature growth with the development of myopia and axial length elongation in Taiwanese elementary school children.

PubMed

Huang, Chung-Ying; Hou, Chiun-Ho; Lin, Ken-Kuo; Lee, Jiahn-Shing; Yang, Meng-Ling

2014-08-01

The development of myopia and growth of the eye, occur at a time when body stature is increasing. To investigate the relationship of lifestyle and body growth with axial elongation and myopia development among schoolchildren aged 7 to 9 years. Prospective study. Children in elementary schools without serious eye disorders were invited to participate. We measured cycloplegic refraction, corneal curvature, intraocular pressure, axial length, body height, and weight. Questionnaires about the children's daily lifestyles, family members' myopia and parents' socio-demographic status were completed. The children were followed up every 6 months in a 3-year period. Bivariate correlations, simple and multiple regression. Eighty-eight children participated in this study. Forty-eight were myopic at the beginning of the study, and their myopia correlated with longer axial length and parental myopia (P = 0.015, 0.012). Sixty-five children (74%) completed the study, and the rates of change per year were -0.43 ± 0.58 (mean + standard deviation) diopters in spherical equivalence, 0.32 ± 0.25 mm in axial length (AL), 5.73 ± 2.71 cm in body height, and 3.84 ± 2.23 kg in weight. The axial length change was positively correlated with the height change (P < 0.001). The myopia shift was correlated to axial length change (P = 0.000) but not correlated to height change. Using multiple regression test, near work was the only significant risk factor for myopia progression (P = 0.022). Our study showed that body height increment was correlated to axial length elongation but not to myopia shift in children aged 7-9 years. Genetic factors such as parental myopia and body height had a possible influence on myopia development, and the environment factor as near work intensity was related to myopia progression.

Classical technical analysis of Latin American market indices. Correlations in Latin American Currencies (ARS, CLP, MXP) exchange rates with respect to DEM, GBP, JPY and USD

NASA Astrophysics Data System (ADS)

Ausloos, M.; Ivanova, K.

2004-06-01

The classical technical analysis methods of financial time series based on the moving average and momentum is recalled. Illustrations use the IBM share price and Latin American (Argentinian MerVal, Brazilian Bovespa and Mexican IPC) market indices. We have also searched for scaling ranges and exponents in exchange rates between Latin American currencies ($ARS$, $CLP$, $MXP$) and other major currencies $DEM$, $GBP$, $JPY$, $USD$, and $SDR$s. We have sorted out correlations and anticorrelations of such exchange rates with respect to $DEM$, $GBP$, $JPY$ and $USD$. They indicate a very complex or speculative behavior.

Developing Single-Molecule TPM Experiments for Direct Observation of Successful RecA-Mediated Strand Exchange Reaction

PubMed Central

Fan, Hsiu-Fang; Cox, Michael M.; Li, Hung-Wen

2011-01-01

RecA recombinases play a central role in homologous recombination. Once assembled on single-stranded (ss) DNA, RecA nucleoprotein filaments mediate the pairing of homologous DNA sequences and strand exchange processes. We have designed two experiments based on tethered particle motion (TPM) to investigate the fates of the invading and the outgoing strands during E. coli RecA-mediated pairing and strand exchange at the single-molecule level in the absence of force. TPM experiments measure the tethered bead Brownian motion indicative of the DNA tether length change resulting from RecA binding and dissociation. Experiments with beads labeled on either the invading strand or the outgoing strand showed that DNA pairing and strand exchange occurs successfully in the presence of either ATP or its non-hydrolyzable analog, ATPγS. The strand exchange rates and efficiencies are similar under both ATP and ATPγS conditions. In addition, the Brownian motion time-courses suggest that the strand exchange process progresses uni-directionally in the 5′-to-3′ fashion, using a synapse segment with a wide and continuous size distribution. PMID:21765895

Extension of the KLI approximation toward the exact optimized effective potential.

PubMed

Iafrate, G J; Krieger, J B

2013-03-07

The integral equation for the optimized effective potential (OEP) is utilized in a compact form from which an accurate OEP solution for the spin-unrestricted exchange-correlation potential, Vxcσ, is obtained for any assumed orbital-dependent exchange-correlation energy functional. The method extends beyond the Krieger-Li-Iafrate (KLI) approximation toward the exact OEP result. The compact nature of the OEP equation arises by replacing the integrals involving the Green's function terms in the traditional OEP equation by an equivalent first-order perturbation theory wavefunction often referred to as the "orbital shift" function. Significant progress is then obtained by solving the equation for the first order perturbation theory wavefunction by use of Dalgarno functions which are determined from well known methods of partial differential equations. The use of Dalgarno functions circumvents the need to explicitly address the Green's functions and the associated problems with "sum over states" numerics; as well, the Dalgarno functions provide ease in dealing with inherent singularities arising from the origin and the zeros of the occupied orbital wavefunctions. The Dalgarno approach for finding a solution to the OEP equation is described herein, and a detailed illustrative example is presented for the special case of a spherically symmetric exchange-correlation potential. For the case of spherical symmetry, the relevant Dalgarno function is derived by direct integration of the appropriate radial equation while utilizing a user friendly method which explicitly treats the singular behavior at the origin and at the nodal singularities arising from the zeros of the occupied states. The derived Dalgarno function is shown to be an explicit integral functional of the exact OEP Vxcσ, thus allowing for the reduction of the OEP equation to a self-consistent integral equation for the exact exchange-correlation potential; the exact solution to this integral equation can be determined by iteration with the natural zeroth order correction given by the KLI exchange-correlation potential. Explicit analytic results are provided to illustrate the first order iterative correction beyond the KLI approximation. The derived correction term to the KLI potential explicitly involves spatially weighted products of occupied orbital densities in any assumed orbital-dependent exchange-correlation energy functional; as well, the correction term is obtained with no adjustable parameters. Moreover, if the equation for the exact optimized effective potential is further iterated, one can obtain the OEP as accurately as desired.

Extension of the KLI approximation toward the exact optimized effective potential

NASA Astrophysics Data System (ADS)

Iafrate, G. J.; Krieger, J. B.

2013-03-01

The integral equation for the optimized effective potential (OEP) is utilized in a compact form from which an accurate OEP solution for the spin-unrestricted exchange-correlation potential, Vxcσ, is obtained for any assumed orbital-dependent exchange-correlation energy functional. The method extends beyond the Krieger-Li-Iafrate (KLI) approximation toward the exact OEP result. The compact nature of the OEP equation arises by replacing the integrals involving the Green's function terms in the traditional OEP equation by an equivalent first-order perturbation theory wavefunction often referred to as the "orbital shift" function. Significant progress is then obtained by solving the equation for the first order perturbation theory wavefunction by use of Dalgarno functions which are determined from well known methods of partial differential equations. The use of Dalgarno functions circumvents the need to explicitly address the Green's functions and the associated problems with "sum over states" numerics; as well, the Dalgarno functions provide ease in dealing with inherent singularities arising from the origin and the zeros of the occupied orbital wavefunctions. The Dalgarno approach for finding a solution to the OEP equation is described herein, and a detailed illustrative example is presented for the special case of a spherically symmetric exchange-correlation potential. For the case of spherical symmetry, the relevant Dalgarno function is derived by direct integration of the appropriate radial equation while utilizing a user friendly method which explicitly treats the singular behavior at the origin and at the nodal singularities arising from the zeros of the occupied states. The derived Dalgarno function is shown to be an explicit integral functional of the exact OEP Vxcσ, thus allowing for the reduction of the OEP equation to a self-consistent integral equation for the exact exchange-correlation potential; the exact solution to this integral equation can be determined by iteration with the natural zeroth order correction given by the KLI exchange-correlation potential. Explicit analytic results are provided to illustrate the first order iterative correction beyond the KLI approximation. The derived correction term to the KLI potential explicitly involves spatially weighted products of occupied orbital densities in any assumed orbital-dependent exchange-correlation energy functional; as well, the correction term is obtained with no adjustable parameters. Moreover, if the equation for the exact optimized effective potential is further iterated, one can obtain the OEP as accurately as desired.

Methanol exchange dynamics between a temperate cropland soil and the atmosphere

NASA Astrophysics Data System (ADS)

Bachy, A.; Aubinet, M.; Amelynck, C.; Schoon, N.; Bodson, B.; Moureaux, C.; Delaplace, P.; De Ligne, A.; Heinesch, B.

2018-03-01

Soil methanol (CH3OH) exchange is often considered as several orders of magnitude smaller than plant methanol exchange. However, for some ecosystems, it is significant in regard with plant exchange and worth thus better consideration. Our study sought to gain a better understanding of soil exchange. Methanol flux was measured at the ecosystem scale on a bare agricultural soil over two contrasted periods using the disjunct eddy covariance by mass scanning technique. A proton-transfer-reaction mass spectrometer was used for the methanol ambient mixing ratio measurements. Bi-directional exchange dynamics were observed. Methanol emission occurred under dry and warm conditions and correlated best with soil surface temperature, whereas methanol uptake occurred under wet and mild conditions and correlated well with the methanol ambient concentration. After having tested a physical adsorption-desorption model and by confronting our data with the literature, we propose that the exchange was ruled by both a physical adsorption/desorption mechanism and by a methanol source, which still needs to be identified. The soil emission decreased when the vegetation developed. The reasons for the decrease still need to be determined. Overall, the dynamics observed at our site were similar to those reported by other studies for both cropland and forest ecosystems. The mechanism proposed in our work can thus be possibly applied to other sites or ecosystems. In addition, the methanol exchange rate was in the upper range of the exchange rates reported by other soil studies, suggesting that cropland soils are more important methanol exchangers than those in other ecosystems and should therefore be further investigated.

The use of the Hurst exponent to predict changes in trends on the Warsaw Stock Exchange

NASA Astrophysics Data System (ADS)

Domino, Krzysztof

2011-01-01

The local properties of the time series of the evolution of share prices of 126 significant companies traded on the Warsaw Stock Exchange during the period between 1991-2008 have been investigated. The analysis was applied to daily financial returns. I have used the local DFA to obtain the Hurst exponent (diffusion coefficient) while searching for negative correlations by which changes of long-term trends would be effected. A certain evidence, proving that after the signature of anti-correlation-the drop in the Hurst exponent-the change in the trend and in the return rate of an investment is probable, was pointed out. Hence after further investigation this method may be useful as a part of an investment strategy. As the Warsaw Stock Exchange is relatively smaller and younger than other significant world Stock Exchanges-and as the developing market is less efficient-the generalization for others markets needs further investigation.

Investigation of two-phase heat transfer coefficients of argon-freon cryogenic mixed refrigerants

NASA Astrophysics Data System (ADS)

Baek, Seungwhan; Lee, Cheonkyu; Jeong, Sangkwon

2014-11-01

Mixed refrigerant Joule Thomson refrigerators are widely used in various kinds of cryogenic systems these days. Although heat transfer coefficient estimation for a multi-phase and multi-component fluid in the cryogenic temperature range is necessarily required in the heat exchanger design of mixed refrigerant Joule Thomson refrigerators, it has been rarely discussed so far. In this paper, condensation and evaporation heat transfer coefficients of argon-freon mixed refrigerant are measured in a microchannel heat exchanger. A Printed Circuit Heat Exchanger (PCHE) with 340 μm hydraulic diameter has been developed as a compact microchannel heat exchanger and utilized in the experiment. Several two-phase heat transfer coefficient correlations are examined to discuss the experimental measurement results. The result of this paper shows that cryogenic two-phase mixed refrigerant heat transfer coefficients can be estimated by conventional two-phase heat transfer coefficient correlations.

Removal efficiency of multiple poly- and perfluoroalkyl substances (PFASs) in drinking water using granular activated carbon (GAC) and anion exchange (AE) column tests.

PubMed

McCleaf, Philip; Englund, Sophie; Östlund, Anna; Lindegren, Klara; Wiberg, Karin; Ahrens, Lutz

2017-09-01

Poly- and perfluoroalkyl substances (PFASs) have been detected in drinking water at relatively high concentrations throughout the world which has led to implementation of regulatory guidelines for specific PFASs in drinking water in several European countries and in the U.S. The Swedish National Food Agency has determined that the drinking water of over one third of the country's municipal consumers is at risk or already affected by PFAS contamination. The present study investigated the effects of perfluorocarbon chain length, functional group and isomer structure (branched or linear) on removal of multiple PFASs using granular activated carbon (GAC, Filtrasorb ® 400) and anion exchange (AE, Purolite ® A600) column experiments. The removal of 14 different PFASs, i.e. the C 3 C 11 , C 14 perfluoroalkyl carboxylic acids (PFCAs) (PFBA, PFPeA, PFHxA, PFHpA, PFOA, PFNA, PFDA, PFUnDA, PFDoDA, PFTeDA), perfluorooctane sulfonamide (FOSA), and the C 4 , C 6 , C 8 perfluoroalkyl sulfonic acids (PFSAs) (PFBS, PFHxS, PFOS), was monitored for a 217 day period. The results indicate the selective nature of PFAS removal as the absorbents are loaded with PFASs and dissolved organic carbon (DOC). A clear relationship between perfluorocarbon chain length and removal efficiency of PFASs using GAC and AE was found while PFASs with sulfonate functional groups displayed greater removal efficiency than those with carboxylate groups. Similarly, time to column breakthrough increased with increasing perfluorocarbon chain length and was greater for the PFSAs than the PFCAs for both GAC and AE. Shorter carbon chained PFASs such as PFBA, PFPeA, PFHxA showed desorption behavior and long-chained PFASs showed increased removal towards the end of the experiment indicating agglomeration or micelle development. Linear isomers of PFOS, PFHxS, and perfluorooctane sulfonamide (FOSA) had greater column removal efficiencies using GAC (and also for AE at greater bed volume throughput) than the branched and this difference increased at greater bed volume throughputs. The GAC and AE columns showed a poor correlation between DOC and PFAS removal efficiency. The results indicate that designers and operators of AE and GAC treatment processes must take into consideration the selective nature of PFAS removal and associated desorption of short-chain PFCAs during co-removal of multiple PFASs. Copyright © 2017 Elsevier Ltd. All rights reserved.

What correlation effects are covered by density functional theory?

NASA Astrophysics Data System (ADS)

He, Yuan; Grafenstein, Jurgen; Kraka, Elfi; Cremer, Dieter

The electron density distribution rho(r) generated by a DFT calculation was systematically studied by comparison with a series of reference densities obtained by wavefunction theory (WFT) methods that cover typical electron correlation effects. As a sensitive indicator for correlation effects the dipole moment of the CO molecule was used. The analysis reveals that typical LDA and GGA exchange functionals already simulate effects that are actually reminiscent of pair and three-electron correlation effects covered by MP2, MP4, and CCSD(T) in WFT. Correlation functionals contract the density towards the bond and the valence region thus taking negative charge out of the van der Waals region. It is shown that these improvements are relevant for the description of van der Waals interactions. Similar to certain correlated single-determinant WFT methods, BLYP and other GGA functionals underestimate ionic terms needed for a correct description of polar bonds. This is compensated for in hybrid functionals by mixing in HF exchange. The balanced mixing of local and non-local exchange and correlation effects leads to the correct description of polar bonds as in the B3LYP description of the CO molecule. The density obtained with B3LYP is closer to CCSD and CCSD(T) than to MP2 or MP4, which indicates that the B3LYP hybrid functional mimics those pair and three-electron correlation effects, which in WFT are only covered by coupled cluster methods.

Soft Functionals for Hard Matter

NASA Astrophysics Data System (ADS)

Cooper, Valentino R.; Yuk, Simuck F.; Krogel, Jaron T.

Theory and computation are critical to the materials discovery process. While density functional theory (DFT) has become the standard for predicting materials properties, it is often plagued by inaccuracies in the underlying exchange-correlation functionals. Using high-throughput DFT calculations we explore the accuracy of various exchange-correlation functionals for modeling the structural and thermodynamic properties of a wide range of complex oxides. In particular, we examine the feasibility of using the nonlocal van der Waals density correlation functional with C09 exchange (C09x), which was designed for sparsely packed soft matter, for investigating the properties of hard matter like bulk oxides. Preliminary results show unprecedented performance for some prototypical bulk ferroelectrics, which can be correlated with similarities between C09x and PBEsol. This effort lays the groundwork for understanding how these soft functionals can be employed as general purpose functionals for studying a wide range of materials where strong internal bonds and nonlocal interactions coexist. Research was sponsored by the US DOE, Office of Science, BES, MSED and Early Career Research Programs and used resources at NERSC.

Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory.

PubMed

Haiduke, Roberto Luiz A; Bartlett, Rodney J

2018-05-14

Some of the exact conditions provided by the correlated orbital theory are employed to propose new non-empirical parameterizations for exchange-correlation functionals from Density Functional Theory (DFT). This reparameterization process is based on range-separated functionals with 100% exact exchange for long-range interelectronic interactions. The functionals developed here, CAM-QTP-02 and LC-QTP, show mitigated self-interaction error, correctly predict vertical ionization potentials as the negative of eigenvalues for occupied orbitals, and provide nice excitation energies, even for challenging charge-transfer excited states. Moreover, some improvements are observed for reaction barrier heights with respect to the other functionals belonging to the quantum theory project (QTP) family. Finally, the most important achievement of these new functionals is an excellent description of vertical electron affinities (EAs) of atoms and molecules as the negative of appropriate virtual orbital eigenvalues. In this case, the mean absolute deviations for EAs in molecules are smaller than 0.10 eV, showing that physical interpretation can indeed be ascribed to some unoccupied orbitals from DFT.

Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory

NASA Astrophysics Data System (ADS)

Haiduke, Roberto Luiz A.; Bartlett, Rodney J.

2018-05-01

Some of the exact conditions provided by the correlated orbital theory are employed to propose new non-empirical parameterizations for exchange-correlation functionals from Density Functional Theory (DFT). This reparameterization process is based on range-separated functionals with 100% exact exchange for long-range interelectronic interactions. The functionals developed here, CAM-QTP-02 and LC-QTP, show mitigated self-interaction error, correctly predict vertical ionization potentials as the negative of eigenvalues for occupied orbitals, and provide nice excitation energies, even for challenging charge-transfer excited states. Moreover, some improvements are observed for reaction barrier heights with respect to the other functionals belonging to the quantum theory project (QTP) family. Finally, the most important achievement of these new functionals is an excellent description of vertical electron affinities (EAs) of atoms and molecules as the negative of appropriate virtual orbital eigenvalues. In this case, the mean absolute deviations for EAs in molecules are smaller than 0.10 eV, showing that physical interpretation can indeed be ascribed to some unoccupied orbitals from DFT.

Correlation functional in screened-exchange density functional theory procedures.

PubMed

Chan, Bun; Kawashima, Yukio; Hirao, Kimihiko

2017-10-15

In the present study, we have explored several prospects for the further development of screened-exchange density functional theory (SX-DFT) procedures. Using the performance of HSE06 as our measure, we find that the use of alternative correlation functionals (as oppose to PBEc in HSE06) also yields adequate results for a diverse set of thermochemical properties. We have further examined the performance of new SX-DFT procedures (termed HSEB-type methods) that comprise the HSEx exchange and a (near-optimal) reparametrized B97c (c OS,0  = c SS,0  = 1, c OS,1  = -1.5, c OS,2  = -0.644, c SS,1  = -0.5, and c SS,2  = 1.10) correlation functionals. The different variants of HSEB all perform comparably to or slightly better than the original HSE-type procedures. These results, together with our fundamental analysis of correlation functionals, point toward various directions for advancing SX-DFT methods. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: The Ti 4O 7 Magneli phase

DOE PAGES

Benali, Anouar; Shulenburger, Luke; Krogel, Jaron T.; ...

2016-06-07

The Magneli phase Ti 4O 7 is an important transition metal oxide with a wide range of applications because of its interplay between charge, spin, and lattice degrees of freedom. At low temperatures, it has non-trivial magnetic states very close in energy, driven by electronic exchange and correlation interactions. We have examined three low- lying states, one ferromagnetic and two antiferromagnetic, and calculated their energies as well as Ti spin moment distributions using highly accurate Quantum Monte Carlo methods. We compare our results to those obtained from density functional theory- based methods that include approximate corrections for exchange and correlation.more » Our results confirm the nature of the states and their ordering in energy, as compared with density-functional theory methods. However, the energy differences and spin distributions differ. Here, a detailed analysis suggests that non-local exchange-correlation functionals, in addition to other approximations such as LDA+U to account for correlations, are needed to simultaneously obtain better estimates for spin moments, distributions, energy differences and energy gaps.« less

Multifractal detrended cross-correlation analysis on gold, crude oil and foreign exchange rate time series

NASA Astrophysics Data System (ADS)

Pal, Mayukha; Madhusudana Rao, P.; Manimaran, P.

2014-12-01

We apply the recently developed multifractal detrended cross-correlation analysis method to investigate the cross-correlation behavior and fractal nature between two non-stationary time series. We analyze the daily return price of gold, West Texas Intermediate and Brent crude oil, foreign exchange rate data, over a period of 18 years. The cross correlation has been measured from the Hurst scaling exponents and the singularity spectrum quantitatively. From the results, the existence of multifractal cross-correlation between all of these time series is found. We also found that the cross correlation between gold and oil prices possess uncorrelated behavior and the remaining bivariate time series possess persistent behavior. It was observed for five bivariate series that the cross-correlation exponents are less than the calculated average generalized Hurst exponents (GHE) for q<0 and greater than GHE when q>0 and for one bivariate series the cross-correlation exponent is greater than GHE for all q values.

The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the x-ray emission spectroscopy of transition metal complexes.

PubMed

Roper, Ian P E; Besley, Nicholas A

2016-03-21

The simulation of X-ray emission spectra of transition metal complexes with time-dependent density functional theory (TDDFT) is investigated. X-ray emission spectra can be computed within TDDFT in conjunction with the Tamm-Dancoff approximation by using a reference determinant with a vacancy in the relevant core orbital, and these calculations can be performed using the frozen orbital approximation or with the relaxation of the orbitals of the intermediate core-ionised state included. Both standard exchange-correlation functionals and functionals specifically designed for X-ray emission spectroscopy are studied, and it is shown that the computed spectral band profiles are sensitive to the exchange-correlation functional used. The computed intensities of the spectral bands can be rationalised by considering the metal p orbital character of the valence molecular orbitals. To compute X-ray emission spectra with the correct energy scale allowing a direct comparison with experiment requires the relaxation of the core-ionised state to be included and the use of specifically designed functionals with increased amounts of Hartree-Fock exchange in conjunction with high quality basis sets. A range-corrected functional with increased Hartree-Fock exchange in the short range provides transition energies close to experiment and spectral band profiles that have a similar accuracy to those from standard functionals.

Free-Piston Stirling Machine for Extreme Temperatures

NASA Technical Reports Server (NTRS)

Wood, James Gary (Inventor)

2013-01-01

A free piston Stirling machine including a thermal buffer tube extending from the machine's expansion space and surrounded by its heat rejector and its regenerator, a displacer cylinder extending from the thermal buffer tube to the compression space and surrounded by the heat rejecting heat exchanger, and a displacer that reciprocates within an excursion limit that extends into the regenerator by no more than 20% of the length of the regenerator during normal operation and preferably within excursion limits that are substantially the length of the heat rejector.

The foreign exchange market: return distributions, multifractality, anomalous multifractality and the Epps effect

NASA Astrophysics Data System (ADS)

Drożdż, Stanisław; Kwapień, Jarosław; Oświȩcimka, Paweł; Rak, Rafał

2010-10-01

We present a systematic study of various statistical characteristics of high-frequency returns from the foreign exchange market. This study is based on six exchange rates forming two triangles: EUR-GBP-USD and GBP-CHF-JPY. It is shown that the exchange rate return fluctuations for all of the pairs considered are well described by the non-extensive statistics in terms of q-Gaussians. There exist some small quantitative variations in the non-extensivity q-parameter values for different exchange rates (which depend also on the time scales studied), and this can be related to the importance of a given exchange rate in the world's currency trade. Temporal correlations organize the series of returns such that they develop the multifractal characteristics for all of the exchange rates, with a varying degree of symmetry of the singularity spectrum f(α), however. The most symmetric spectrum is identified for the GBP/USD. We also form time series of triangular residual returns and find that the distributions of their fluctuations develop disproportionately heavier tails as compared to small fluctuations, which excludes description in terms of q-Gaussians. The multifractal characteristics of these residual returns reveal such anomalous properties as negative singularity exponents and even negative singularity spectra. Such anomalous multifractal measures have so far been considered in the literature in connection with diffusion-limited aggregation and with turbulence. Studying the cross-correlations among different exchange rates, we found that market inefficiency on short time scales leads to the occurrence of the Epps effect on much longer time scales, but comparable to the ones for the stock market. Although the currency market is much more liquid than the stock markets and has a much greater transaction frequency, the building up of correlations takes up to several hours—a duration that does not differ much from what is observed in the stock markets. This may suggest that non-synchronicity of transactions is not the unique source of the observed effect.

Isotopic exchange in mineral-fluid systems. IV. The crystal chemical controls on oxygen isotope exchange rates in carbonate-H 2O and layer silicate-H 2O systems

NASA Astrophysics Data System (ADS)

Cole, David R.

2000-03-01

Oxygen isotope exchange between minerals and water in systems far from chemical equilibrium is controlled largely by surface reactions such as dissolution-precipitation. In many cases, this behavior can be modeled adequately by a simple pseudo-first order rate model that accounts for changes in surface area of the solid. Previous modeling of high temperature isotope exchange data for carbonates, sulfates, and silicates indicated that within a given mineral group there appears to be a systematic relationship between rate and mineral chemistry. We tested this idea by conducting oxygen isotope exchange experiments in the systems, carbonate-H 2O and layer silicate-H 2O at 300 and 350°C, respectively. Witherite (BaCO 3), strontianite (SrCO 3) and calcite (CaCO 3) were reacted with pure H 2O for different lengths of time (271-1390 h) at 300°C and 100 bars. The layer silicates, chlorite, biotite and muscovite were reacted with H 2O for durations ranging from 132 to 3282 h at 350°C and 250 bars. A detailed survey of grain sizes and grain habits using scanning electron microscopy (SEM) indicated that grain regrowth occurred in all experiments to varying extents. Changes in the mean grain diameters were particularly significant in experiments involving withertite, strontianite and biotite. The variations in the extent of oxygen isotope exchange were measured as a function of time, and fit to a pseudo-first order rate model that accounted for the change in surface area of the solid during reaction. The isotopic rates (ln r) for the carbonate-H 2O system are -20.75 ± 0.44, -18.95 ± 0.62 and -18.51 ± 0.48 mol O m -2 s -1 for calcite, strontianite and witherite, respectively. The oxygen isotope exchange rates for layer silicate-H 2O systems are -23.99 ± 0.89, -23.14 ± 0.74 and -22.40 ± 0.66 mol O m -2 s -1 for muscovite, biotite and chlorite, respectively. The rates for the carbonate-H 2O systems increase in order from calcite to strontianite to witherite. This order clearly reflects the influence of the change in cation chemistry, i.e., Ba > Sr > Ca. A similar pattern is observed for the layer silicate-H 2O systems, where chlorite>biotite>muscovite. The link between cation chemistry and rate is more complicated in this case, but in general, the order follows a trend where Mg-Fe > K-Mg > K, with an associated increase in Si and Al, and decrease in hydroxyl. The isotopic-chemical relations suggest that oxygen isotope exchange behavior monitored experimentally in this study is the net result of bond-breaking and dissolution of the mineral, complex ion formation in solution and growth of the mineral, whose structure is controlled, in large part, by the lattice energy. We compared the rates against the electrostatic attractive lattice energies (neglecting the repulsive forces), normalized per number of cations. The correlations between rates and lattice energies are quite good for both mineral-H 2O systems. The increase in rates correlated with a decrease in the electrostatic attractive lattice energies, i.e., the greater the lattice energy required to break up the crystal, the more sluggish the rates for both chemical and isotopic exchange. By establishing an unambiguous relationship between rate, lattice energy, and ultimately temperature, we can begin to develop empirical equations useful in predicting rates of isotopic exchange for minerals for which experimental data are lacking.

Correlates of video game screen time among males: body mass, physical activity, and other media use.

PubMed

Ballard, Mary; Gray, Melissa; Reilly, Jenny; Noggle, Matthew

2009-08-01

This study examined the correlations between media use, body mass variables, and physical activity among 116 male undergraduates (white n=106; African American n=5, Latin American n=1, Asian American n=2, and 2 others). Length of video game play during one sitting was positively related to body mass index (BMI; r=.27, p<.01) and negatively correlated with frequency of exercise (r=-.21, p<.05) and days of walking (r=-.22, p<.05). Frequency of video game play was negatively correlated with length of exercising (r=-.21, p<.05). Years of video game play was negatively correlated with length of exercise (r=-.21, p<.05). These results were stronger among those who play online games. Hierarchical regression analyses indicated that video game use predicted BMI, accounting for 6.9% of the variance. The implications of the results are discussed.

Three-phase flow? Consider helical-coil heat exchangers

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

Haraburda, S.S.

1995-07-01

In recent years, chemical process plants are increasingly encountering processes that require heat exchange in three-phase fluids. A typical application, for example, is heating liquids containing solid catalyst particles and non-condensable gases. Heat exchangers designed for three-phase flow generally have tubes with large diameters (typically greater than two inches), because solids can build-up inside the tube and lead to plugging. At the same time, in order to keep heat-transfer coefficients high, the velocity of the process fluid within the tube should also be high. As a result, heat exchangers for three-phase flow may require less than five tubes -- eachmore » having a required linear length that could exceed several hundred feet. Given these limitations, it is obvious that a basic shell-and-tube heat exchanger is not the most practical solution for this purpose. An alternative for three-phase flow is a helical-coil heat exchanger. The helical-coil units offer a number of advantages, including perpendicular, counter-current flow and flexible overall dimensions for the exchanger itself. The paper presents equations for: calculating the tube-side heat-transfer coefficient; calculating the shell-side heat-transfer coefficient; calculating the heat-exchanger size; calculating the tube-side pressure drop; and calculating shell-side pressure-drop.« less

Volatility spillover between crude oil and exchange rate: A copula-CARR approach

NASA Astrophysics Data System (ADS)

Pu, Y. J.; Guo, M. Y.

2017-11-01

Oil provides a powerful impetus for modern society's production and life. The influences of oil price fluctuations on socio-economic development are obvious, and it draws more attention from scholars. However, the distribution of oil is highly centralized, which leads to the vast majority of oil trading through foreign trade. As a result, exchange rate plays an important role in the oil business. Study on the relationship between exchange rate and crude oil gradually becomes a hot research topic in recent years. In this paper, we use copula and CARR model to study correlation structure and relationship between crude oil price and exchange rate. We establish CARR models as marginal models and use five copulas which are Gaussian Copula, Student-t Copula, Gumbel Copula, Clayton Copula and Frank Copula to study the correlation structure between NYMEX crude oil price range and U. S. Dollar Index range. Furthermore, we use Copula-CARR model with structural breaks to detect the change points in the correlation structure between NYMEX crude oil price range and U. S. Dollar Index range. Empirical results show that the change points are closely related to the actual economic events.

Scaling properties of foreign exchange volatility

NASA Astrophysics Data System (ADS)

Gençay, Ramazan; Selçuk, Faruk; Whitcher, Brandon

2001-01-01

In this paper, we investigate the scaling properties of foreign exchange volatility. Our methodology is based on a wavelet multi-scaling approach which decomposes the variance of a time series and the covariance between two time series on a scale by scale basis through the application of a discrete wavelet transformation. It is shown that foreign exchange rate volatilities follow different scaling laws at different horizons. Particularly, there is a smaller degree of persistence in intra-day volatility as compared to volatility at one day and higher scales. Therefore, a common practice in the risk management industry to convert risk measures calculated at shorter horizons into longer horizons through a global scaling parameter may not be appropriate. This paper also demonstrates that correlation between the foreign exchange volatilities is the lowest at the intra-day scales but exhibits a gradual increase up to a daily scale. The correlation coefficient stabilizes at scales one day and higher. Therefore, the benefit of currency diversification is the greatest at the intra-day scales and diminishes gradually at higher scales (lower frequencies). The wavelet cross-correlation analysis also indicates that the association between two volatilities is stronger at lower frequencies.

The clinical, radiological, microbiological, and molecular profile of the skin‐penetration site of transfemoral amputees treated with bone‐anchored prostheses

PubMed Central

Lennerås, Maria; Tsikandylakis, Georgios; Trobos, Margarita; Omar, Omar; Vazirisani, Forugh; Palmquist, Anders; Berlin, Örjan; Brånemark, Rickard

2016-01-01

Abstract The breach of the skin barrier is a critical issue associated with the treatment of individuals with transfemoral amputation (TFA) using osseointegrated, percutaneous titanium implants. Thirty TFA patients scheduled for abutment exchange or removal were consecutively enrolled. The aims were to determine the macroscopic skin signs, the presence of bacteria and the gene expression in abutment‐adherent cells and to conduct correlative and comparative analyses between the different parameters. Redness and a granulation ring were present in 47% of the patients. Bacteria were detected in 27/30 patients, commonly in the bone canal. Staphylococcus aureus, coagulase‐negative staphylococci, streptococci, and Enterococcus faecalis were the most common. A positive correlation was found between TNF‐α expression and the detection of S. aureus. Staphylococcus aureus together with other bacterial species revealed a positive relationship with MMP‐8 expression. A negative correlation was demonstrated between the length of the residual femur bone and the detection of a granulation ring and E. faecalis. A positive correlation was revealed between fixture loosening and pain and the radiological detection of endosteal bone resorption. Fixture loosening was also correlated with the reduced expression of interleukin‐10 and osteocalcin. It is concluded that several relationships exist between clinical, radiological, microbiological, and molecular assessments of the percutaneous area of TFAs. Further long term studies on larger patient cohorts are required to determine the precise cause‐effect relationships and unravel the role of host‐bacteria interactions in the skin, bone canal and on the abutment for the longevity of percutaneous implants as treatment of TFA. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 578–589, 2017. PMID:27750392

CATION EXCHANGE BETWEEN CELLS AND PLASMA OF MAMMALIAN BLOOD

PubMed Central

Sheppard, C. W.; Martin, W. R.; Beyl, Gertrude

1951-01-01

Sodium and potassium exchange has been studied in the blood of the sheep, dog, cow, and man. The potassium exchange rate in human cells is practically unaltered by increasing the plasma potassium concentration approximately threefold. Comparing the results in different species the exchange rate for potassium shows a rough correlation with the intracellular amount of the element. Expressed in per cent of the cellular content sodium tends to exchange more rapidly than potassium. In three instances the specific activity curves deviate from the simple exponential behavior of a two compartment system. In the exchange of potassium in canine blood the deviation is caused by the presence of a rapidly exchanging fraction in the buffy coat cells. Such an effect does not account for the inhomogeneity of sodium exchange in human blood. PMID:14824508

Polymerization of non-complementary RNA: systematic symmetric nucleotide exchanges mainly involving uracil produce mitochondrial RNA transcripts coding for cryptic overlapping genes.

PubMed

Seligmann, Hervé

2013-03-01

Usual DNA→RNA transcription exchanges T→U. Assuming different systematic symmetric nucleotide exchanges during translation, some GenBank RNAs match exactly human mitochondrial sequences (exchange rules listed in decreasing transcript frequencies): C↔U, A↔U, A↔U+C↔G (two nucleotide pairs exchanged), G↔U, A↔G, C↔G, none for A↔C, A↔G+C↔U, and A↔C+G↔U. Most unusual transcripts involve exchanging uracil. Independent measures of rates of rare replicational enzymatic DNA nucleotide misinsertions predict frequencies of RNA transcripts systematically exchanging the corresponding misinserted nucleotides. Exchange transcripts self-hybridize less than other gene regions, self-hybridization increases with length, suggesting endoribonuclease-limited elongation. Blast detects stop codon depleted putative protein coding overlapping genes within exchange-transcribed mitochondrial genes. These align with existing GenBank proteins (mainly metazoan origins, prokaryotic and viral origins underrepresented). These GenBank proteins frequently interact with RNA/DNA, are membrane transporters, or are typical of mitochondrial metabolism. Nucleotide exchange transcript frequencies increase with overlapping gene densities and stop densities, indicating finely tuned counterbalancing regulation of expression of systematic symmetric nucleotide exchange-encrypted proteins. Such expression necessitates combined activities of suppressor tRNAs matching stops, and nucleotide exchange transcription. Two independent properties confirm predicted exchanged overlap coding genes: discrepancy of third codon nucleotide contents from replicational deamination gradients, and codon usage according to circular code predictions. Predictions from both properties converge, especially for frequent nucleotide exchange types. Nucleotide exchanging transcription apparently increases coding densities of protein coding genes without lengthening genomes, revealing unsuspected functional DNA coding potential. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Sibling competition and the evolution of prenatal development rates.

PubMed Central

Lloyd, John D; Martin, Thomas E

2003-01-01

Sibling competition has been proposed as an important evolutionary pressure driving interspecific variation in developmental rates. We tested this hypothesis using rates of extra-pair paternity and brood parasitism, as well as the degree of hatching asynchrony, as indices of sibling competition in a comparative analysis of 70 species of bird. We found mixed support for the influence of sibling competition on prenatal development. Brood parasitism was negatively correlated with the length of incubation, and hatching asynchrony was positively correlated with the length of incubation, but both correlations disappeared when phylogeny was controlled for. Extra-pair paternity, however, was negatively correlated with incubation length even when phylogeny was controlled for. The latter could represent support for the influence of sibling competition on prenatal development or indirect effects of correlated selection on both traits by adult mortality. The existence of these correlations demonstrates that life-history strategies include linkages among a larger suite of traits than previously recognized. PMID:12713748

Triangular arbitrage in the foreign exchange market

NASA Astrophysics Data System (ADS)

Aiba, Yukihiro; Hatano, Naomichi

2004-12-01

We first review our previous work, showing what is the triangular arbitrage transaction and how to quantify the triangular arbitrage opportunity. Next we explain that the correlation of the foreign exchange rates can appear without actual triangular arbitrage transaction.

Experimental design for estimating parameters of rate-limited mass transfer: Analysis of stream tracer studies

USGS Publications Warehouse

Wagner, Brian J.; Harvey, Judson W.

1997-01-01

Tracer experiments are valuable tools for analyzing the transport characteristics of streams and their interactions with shallow groundwater. The focus of this work is the design of tracer studies in high-gradient stream systems subject to advection, dispersion, groundwater inflow, and exchange between the active channel and zones in surface or subsurface water where flow is stagnant or slow moving. We present a methodology for (1) evaluating and comparing alternative stream tracer experiment designs and (2) identifying those combinations of stream transport properties that pose limitations to parameter estimation and therefore a challenge to tracer test design. The methodology uses the concept of global parameter uncertainty analysis, which couples solute transport simulation with parameter uncertainty analysis in a Monte Carlo framework. Two general conclusions resulted from this work. First, the solute injection and sampling strategy has an important effect on the reliability of transport parameter estimates. We found that constant injection with sampling through concentration rise, plateau, and fall provided considerably more reliable parameter estimates than a pulse injection across the spectrum of transport scenarios likely encountered in high-gradient streams. Second, for a given tracer test design, the uncertainties in mass transfer and storage-zone parameter estimates are strongly dependent on the experimental Damkohler number, DaI, which is a dimensionless combination of the rates of exchange between the stream and storage zones, the stream-water velocity, and the stream reach length of the experiment. Parameter uncertainties are lowest at DaI values on the order of 1.0. When DaI values are much less than 1.0 (owing to high velocity, long exchange timescale, and/or short reach length), parameter uncertainties are high because only a small amount of tracer interacts with storage zones in the reach. For the opposite conditions (DaI ≫ 1.0), solute exchange rates are fast relative to stream-water velocity and all solute is exchanged with the storage zone over the experimental reach. As DaI increases, tracer dispersion caused by hyporheic exchange eventually reaches an equilibrium condition and storage-zone exchange parameters become essentially nonidentifiable.

On the Impact of Electrostatic Correlations on the Double-Layer Polarization of a Spherical Particle in an Alternating Current Field.

PubMed

Alidoosti, Elaheh; Zhao, Hui

2018-05-15

At concentrated electrolytes, the ion-ion electrostatic correlation effect is considered an important factor in electrokinetics. In this paper, we compute, in theory and simulation, the dipole moment for a spherical particle (charged, dielectric) under the action of an alternating electric field using the modified continuum Poisson-Nernst-Planck (PNP) model by Bazant et al. [ Double Layer in Ionic Liquids: Overscreening Versus Crowding . Phys. Rev. Lett. 2011 , 106 , 046102 ] We investigate the dependency of the dipole moment in terms of frequency and its variation with such quantities like ζ-potential, electrostatic correlation length, and double-layer thickness. With thin electric double layers, we develop simple models through performing an asymptotic analysis of the modified PNP model. We also present numerical results for an arbitrary Debye screening length and electrostatic correlation length. From the results, we find a complicated impact of electrostatic correlations on the dipole moment. For instance, with increasing the electrostatic correlation length, the dipole moment decreases and reaches a minimum and then it goes up. This is because of initially decreasing of surface conduction and finally increasing due to the impact of ion-ion electrostatic correlations on ion's convection and migration. Also, we show that in contrast to the standard PNP model, the modified PNP model can qualitatively explain the data from the experimental results in multivalent electrolytes.

Development and fabrication of a diffusion welded Columbium alloy heat exchanger. [for space power generation

NASA Technical Reports Server (NTRS)

Zimmerman, W. F.; Duderstadt, E. C.; Wein, D.; Titran, R. H.

1978-01-01

A Mini Brayton space power generation system required the development of a Columbium alloy heat exchanger to transfer heat from a radioisotope heat source to a He/Xe working fluid. A light-weight design featured the simultaneous diffusion welding of 148 longitudinal fins in an annular heat exchanger about 9-1/2 in. in diameter, 13-1/2 in. in length and 1/4 in. in radial thickness. To complete the heat exchanger, additional gas ducting elements and attachment supports were added by GTA welding in a vacuum-purged inert atmosphere welding chamber. The development required the modification of an existing large size hot isostatic press to achieve HIP capabilities of 2800 F and 10,000 psi for at least 3 hr. Excellent diffusion welds were achieved in a high-quality component which met all system requirements.

Composition dependence of charge and magnetic length scales in mixed valence manganite thin films

PubMed Central

Singh, Surendra; Freeland, J. W.; Fitzsimmons, M. R.; Jeen, H.; Biswas, A.

2016-01-01

Mixed-valence manganese oxides present striking properties like the colossal magnetoresistance, metal-insulator transition (MIT) that may result from coexistence of ferromagnetic, metallic and insulating phases. Percolation of such phase coexistence in the vicinity of MIT leads to first-order transition in these manganites. However the length scales over which the electronic and magnetic phases are separated across MIT which appears compelling for bulk systems has been elusive in (La1−yPry)1−xCaxMnO3 films. Here we show the in-plane length scale over which charge and magnetism are correlated in (La0.4Pr0.6)1−xCaxMnO3 films with x = 0.33 and 0.375, across the MIT temperature. We combine electrical transport (resistance) measurements, x-ray absorption spectroscopy (XAS), x-ray magnetic circular dichroism (XMCD), and specular/off-specular x-ray resonant magnetic scattering (XRMS) measurements as a function of temperature to elucidate relationships between electronic, magnetic and morphological structure of the thin films. Using off-specular XRMS we obtained the charge-charge and charge-magnetic correlation length of these LPCMO films across the MIT. We observed different charge-magnetic correlation length for two films which increases below the MIT. The different correlation length shown by two films may be responsible for different macroscopic (transport and magnetic) properties. PMID:27461993

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

Directly patching high-level exchange-correlation potential based on fully determined optimized effective potentials

NASA Astrophysics Data System (ADS)

Huang, Chen; Chi, Yu-Chieh

2017-12-01

The key element in Kohn-Sham (KS) density functional theory is the exchange-correlation (XC) potential. We recently proposed the exchange-correlation potential patching (XCPP) method with the aim of directly constructing high-level XC potential in a large system by patching the locally computed, high-level XC potentials throughout the system. In this work, we investigate the patching of the exact exchange (EXX) and the random phase approximation (RPA) correlation potentials. A major challenge of XCPP is that a cluster's XC potential, obtained by solving the optimized effective potential equation, is only determined up to an unknown constant. Without fully determining the clusters' XC potentials, the patched system's XC potential is "uneven" in the real space and may cause non-physical results. Here, we developed a simple method to determine this unknown constant. The performance of XCPP-RPA is investigated on three one-dimensional systems: H20, H10Li8, and the stretching of the H19-H bond. We investigated two definitions of EXX: (i) the definition based on the adiabatic connection and fluctuation dissipation theorem (ACFDT) and (ii) the Hartree-Fock (HF) definition. With ACFDT-type EXX, effective error cancellations were observed between the patched EXX and the patched RPA correlation potentials. Such error cancellations were absent for the HF-type EXX, which was attributed to the fact that for systems with fractional occupation numbers, the integral of the HF-type EXX hole is not -1. The KS spectra and band gaps from XCPP agree reasonably well with the benchmarks as we make the clusters large.

Comparison of 3-D Multi-Lag Cross-Correlation and Speckle Brightness Aberration Correction Algorithms on Static and Moving Targets

PubMed Central

Ivancevich, Nikolas M.; Dahl, Jeremy J.; Smith, Stephen W.

2010-01-01

Phase correction has the potential to increase the image quality of 3-D ultrasound, especially transcranial ultrasound. We implemented and compared 2 algorithms for aberration correction, multi-lag cross-correlation and speckle brightness, using static and moving targets. We corrected three 75-ns rms electronic aberrators with full-width at half-maximum (FWHM) auto-correlation lengths of 1.35, 2.7, and 5.4 mm. Cross-correlation proved the better algorithm at 2.7 and 5.4 mm correlation lengths (P < 0.05). Static cross-correlation performed better than moving-target cross-correlation at the 2.7 mm correlation length (P < 0.05). Finally, we compared the static and moving-target cross-correlation on a flow phantom with a skull casting aberrator. Using signal from static targets, the correction resulted in an average contrast increase of 22.2%, compared with 13.2% using signal from moving targets. The contrast-to-noise ratio (CNR) increased by 20.5% and 12.8% using static and moving targets, respectively. Doppler signal strength increased by 5.6% and 4.9% for the static and moving-targets methods, respectively. PMID:19942503

Comparison of 3-D multi-lag cross- correlation and speckle brightness aberration correction algorithms on static and moving targets.

PubMed

Ivancevich, Nikolas M; Dahl, Jeremy J; Smith, Stephen W

2009-10-01

Phase correction has the potential to increase the image quality of 3-D ultrasound, especially transcranial ultrasound. We implemented and compared 2 algorithms for aberration correction, multi-lag cross-correlation and speckle brightness, using static and moving targets. We corrected three 75-ns rms electronic aberrators with full-width at half-maximum (FWHM) auto-correlation lengths of 1.35, 2.7, and 5.4 mm. Cross-correlation proved the better algorithm at 2.7 and 5.4 mm correlation lengths (P < 0.05). Static cross-correlation performed better than moving-target cross-correlation at the 2.7 mm correlation length (P < 0.05). Finally, we compared the static and moving-target cross-correlation on a flow phantom with a skull casting aberrator. Using signal from static targets, the correction resulted in an average contrast increase of 22.2%, compared with 13.2% using signal from moving targets. The contrast-to-noise ratio (CNR) increased by 20.5% and 12.8% using static and moving targets, respectively. Doppler signal strength increased by 5.6% and 4.9% for the static and moving-targets methods, respectively.

The relationship between allometry and preferred transition speed in human locomotion.

PubMed

Ranisavljev, Igor; Ilic, Vladimir; Soldatovic, Ivan; Stefanovic, Djordje

2014-04-01

The purpose of this study was to explore the relationships between preferred transition speed (PTS) and anthropometric characteristics, body composition and different human body proportions in males. In a sample of 59 male students, we collected anthropometric and body composition data and determined individual PTS using increment protocol. The relationships between PTS and other variables were determined using Pearson correlation, stepwise linear and hierarchical regression. Body ratios were formed as quotient of two variables whereby at least one significantly correlated to PTS. Circular and transversal (except bitrochanteric diameter) body dimensions did not correlate with PTS. Moderate correlations were found between longitudinal leg dimensions (foot, leg and thigh length) and PTS, while the highest correlation was found for lower leg length (r=.488, p<.01). Two parameters related to body composition showed weak correlation with PTS: body fat mass (r=-.250, p<.05) and amount of lean leg mass scaled to body weight (r=.309, p<.05). Segmental body proportions correlated more significantly with PTS, where thigh/lower leg length ratio showed the highest correlation (r=.521, p<.01). Prediction model with individual variables (lower leg and foot length) have explained just 31% of PTS variability, while model with body proportions showed almost 20% better prediction (R(2)=.504). These results suggests that longitudinal leg dimensions have moderate influence on PTS and that segmental body proportions significantly more explain PTS than single anthropometric variables. Copyright © 2014 Elsevier B.V. All rights reserved.

Successful rotational atherectomy over RG3 guidewire after failure of various techniques to deliver RotaWire.

PubMed

Kaneko, Umihiko; Kashima, Yoshifumi; Kanno, Daitaro; Sugie, Takuro; Kobayashi, Ken; Fujita, Tsutomu

2017-10-01

Although performing rotational atherectomy (RA) requires guidewire exchange for the dedicated guidewire, RotaWire guidewire (Boston Scientific) exhibits much lower performance than conventional guidewire. Consequently, there are times when RotaWire cannot be advanced past the lesion independently or using a microcatheter exchange technique, rendering RA impossible. We present a case of a heavily calcified, device-uncrossable, and non-expansible chronic total occlusion lesion successfully revascularized with RA over RG3 guidewire (Asahi Intecc), which has a length of 330 cm, hydrophilic coating, and a 0.010-inch-long shaft. RG3 provided excellent cross-ability and RA could also be performed over RG3 without guidewire exchange for the RotaWire.

Introducing False EUR and False EUR exchange rates

NASA Astrophysics Data System (ADS)

Ausloos, M.; Ivanova, K.

2000-10-01

The Euro ( EUR) is a new currency introduced by the European Community. Its exchange rate is very puzzling. We have invented a false Euro ( FEUR) dating back to 1993 and have derived the exchange rates of the FEUR with respect to currencies not belonging to the EUR, i.e., DKK, CHF, JPY and USD. This allows us to search for correlations between the fluctuations preexisting to the introduction of EUR and present ones in such financial data. The detrended fluctuation analysis ( DFA) statistical method is used. This leads to assume a power-law behavior, i.e., a scaling hypothesis, through an exponent α. The latter has demonstrated its usefulness for the investigations of long-range power-law correlations in several types of financial sequences. Our findings show that the α exponent interestingly characterizes fractional Brownian motion of the currency exchange rates between EUR and DKK over a 25 day interval, and usual Brownian motion otherwise and for the three other investigated exchange rates. We can devise an investment strategy based on the localα technique and obtain appreciable gains for the time being.

Relative fascicle excursion effects on dynamic strength generation during gait in children with cerebral palsy.

PubMed

Martín Lorenzo, T; Lerma Lara, S; Martínez-Caballero, I; Rocon, E

2015-10-01

Evaluation of muscle structure gives us a better understanding of how muscles contribute to force generation which is significantly altered in children with cerebral palsy (CP). While most muscle structure parameters have shown to be significantly correlated to different expressions of strength development in children with CP and typically developing (TD) children, conflicting results are found for muscle fascicle length. Muscle fascicle length determines muscle excursion and velocity, and contrary to what might be expected, correlations of fascicle length to rate of force development have not been found for children with CP. The lack of correlation between muscle fascicle length and rate of force development in children with CP could be due, on the one hand, to the non-optimal joint position adopted for force generation on the isometric strength tests as compared to the position of TD children. On the other hand, the lack of correlation could be due to the erroneous assumption that muscle fascicle length is representative of sarcomere length. Thus, the relationship between muscle architecture parameters reflecting sarcomere length, such as relative fascicle excursions and dynamic power generation, should be assessed. Understanding of the underlying mechanisms of weakness in children with CP is key for individualized prescription and assessment of muscle-targeted interventions. Findings could imply the detection of children operating on the descending limb of the sarcomere length-tension curve, which in turn might be at greater risk of developing crouch gait. Furthermore, relative muscle fascicle excursions could be used as a predictive variable of outcomes related to crouch gait prevention treatments such as strength training. Copyright © 2015 Elsevier Ltd. All rights reserved.

Associations Between Arterial Oxygen Saturation, Body Size and Limb Measurements Among High-Altitude Andean Children

PubMed Central

Pomeroy, Emma; Stock, Jay T; Stanojevic, Sanja; Miranda, J Jaime; Cole, Tim J; Wells, Jonathan CK

2013-01-01

Objectives The relative influences of hypoxia and other environmental stressors on growth at altitude remain unclear. Previous work demonstrated an association between peripheral arterial oxygen saturation (SpO2) and anthropometry (especially tibia length) among Tibetan and Han children at altitude. We investigated whether similar associations exist among Andeans, and the patterning of associations between SpO2 and anthropometry. Methods Stature, head-trunk height, total upper and lower limb lengths, zeugopod (ulna and tibia) and autopod (hand and foot) lengths were measured in Peruvian children (0.5–14 years) living at >3000 m altitude. SpO2 was measured by pulse oximetry. Anthropometry was converted to internal z scores. Correlation and multiple regression were used to examine associations between anthropometry z scores and SpO2, altitude, or SpO2 adjusted for altitude since altitude is a major determinant of variation in SpO2. Results SpO2 and altitude show weak, significant correlations with zeugopod length z scores and still weaker significant correlations with total upper and lower limb length z scores. Correlations with z scores for stature, head-trunk height, or autopod lengths are not significant. Adjusted for altitude, there is no significant association between anthropometry and SpO2. Conclusions Associations between SpO2 or altitude and total limb and zeugopod length z scores exist among Andean children. However, the relationships are relatively weak, and while the relationship between anthropometry and altitude may be partly mediated by SpO2, other factors that covary with altitude (e.g., socioeconomic status, health) are likely to influence anthropometry. The results support suggestions that zeugopod lengths are particularly sensitive to environmental stressors. Am. J. Hum. Biol., 25:629–636, 2013. © 2013 Wiley Periodicals, Inc. PMID:23904412

Intelligence and Complexity of the Averaged Evoked Potential: An Attentional Theory.

ERIC Educational Resources Information Center

Bates, Tim; And Others

1995-01-01

A study measuring average evoked potentials in 21 college students finds that intelligence test scores correlate significantly with the difference between string length in attended and nonattended conditions, a finding that suggests that previous inconsistencies in reporting string length-intelligence correlations may have resulted from confound…

Optical Properties of Silver Nanoparticulate Glasses

NASA Astrophysics Data System (ADS)

Evans, Rachel N.; Cannavino, Sarah A.; King, Christy A.; Lamartina, Joseph A.; Magruder, Robert H.; Ferrara, Davon W.

The ion exchange method of embedding metal nanoparticles (NPs) into float glass is an often used technique of fabricating colored glasses and graded-index waveguides. The depth and size of NP formation in the glass depends on the concentration and temperature of metal ions in the molten bath. In this study we explore the dichroic properties of silver metal ion exchange restricted to only one side of a glass microscope slide using reflection and transmission spectroscopy and its dependence on temperature, concentration of silver ions, and length of time in the molten bath.

Record length requirement of long-range dependent teletraffic

NASA Astrophysics Data System (ADS)

Li, Ming

2017-04-01

This article contributes the highlights mainly in two folds. On the one hand, it presents a formula to compute the upper bound of the variance of the correlation periodogram measurement of teletraffic (traffic for short) with long-range dependence (LRD) for a given record length T and a given value of the Hurst parameter H (Theorems 1 and 2). On the other hand, it proposes two formulas for the computation of the variance upper bound of the correlation periodogram measurement of traffic of fractional Gaussian noise (fGn) type and the generalized Cauchy (GC) type, respectively (Corollaries 1 and 2). They may constitute a reference guideline of record length requirement of traffic with LRD. In addition, record length requirement for the correlation periodogram measurement of traffic with either the Schuster type or the Bartlett one is studied and the present results about it show that both types of periodograms may be used for the correlation measurement of traffic with a pre-desired variance bound of correlation estimation. Moreover, real traffic in the Internet Archive by the Special Interest Group on Data Communication under the Association for Computing Machinery of US (ACM SIGCOMM) is analyzed in the case study in this topic.

An Exactly Soluble Model for Hopping Particles Moving with Correlations Between States due to Exchange Sites

NASA Astrophysics Data System (ADS)

Zhao, Xian-Geng; Jia, Sue-Tang

1992-09-01

The motion of hopping particles on an infinite chain is investigated. The model is characterized by the correlations between states due to exchange sites. The analytic solutions for this system are discussed in general case. For some special cases, exact results are obtained with the help of explicit calculations of propagators and mean square displacement deviation. Both probability propagators for the creation and annihilation of two particles or for the deformation and formation of Frenkel excitons are indicated.

Correlation structures in short-term variabilities of stock indices and exchange rates

NASA Astrophysics Data System (ADS)

Nakamura, Tomomichi; Small, Michael

2007-09-01

Financial data usually show irregular fluctuations and some trends. We investigate whether there are correlation structures in short-term variabilities (irregular fluctuations) among financial data from the viewpoint of deterministic dynamical systems. Our method is based on the small-shuffle surrogate method. The data we use are daily closing price of Standard & Poor's 500 and the volume, and daily foreign exchange rates, Euro/US Dollar (USD), British Pound/USD and Japanese Yen/USD. We found that these data are not independent.

Value of the fetal plantar shape in prenatal diagnosis of talipes equinovarus.

PubMed

Liao, Huifang; Cai, Ailu; Wang, Bing; Wang, Xiaoguang; Yan, Zhen; Li, Jingyu

2012-07-01

The purpose of this study was to evaluate the value of the fetal plantar shape in prenatal diagnosis of talipes equinovarus. A case-control study was conducted between September 2009 and February 2011. We measured the width and length of 249 feet (156 fetuses) included in this study and then calculated the width to length ratio. All of the fetuses were followed to obtain the pregnancy outcomes and confirm whether the deformity existed; then the bimalleolar angle of each foot with talipes equinovarus was measured. Independent samples t tests were performed to compare the foot width, length, and width to length ratio between normal and talipes equinovarus groups. We also assessed the correlation between the width to length ratio and bimalleolar angle in the talipes equinovarus cases with the Pearson correlation coefficient. Statistically significant differences were shown between the two groups (P< .001) for the three foot measurements, and a significant negative correlation was found between the width to length ratio and bimalleolar angle of the affected foot (r = -0.857). The fetal plantar shape can provide valuable information for prenatal diagnosis of clubfoot. Compared with a normal foot, a clubfoot tends to be wider and shorter. A higher width to length ratio is associated with a smaller bimalleolar angle and indicates a more severe talipes equinovarus deformity.

Architecture and permeability of post-cytokinesis plasmodesmata lacking cytoplasmic sleeves.

PubMed

Nicolas, William J; Grison, Magali S; Trépout, Sylvain; Gaston, Amélia; Fouché, Mathieu; Cordelières, Fabrice P; Oparka, Karl; Tilsner, Jens; Brocard, Lysiane; Bayer, Emmanuelle M

2017-06-12

Plasmodesmata are remarkable cellular machines responsible for the controlled exchange of proteins, small RNAs and signalling molecules between cells. They are lined by the plasma membrane (PM), contain a strand of tubular endoplasmic reticulum (ER), and the space between these two membranes is thought to control plasmodesmata permeability. Here, we have reconstructed plasmodesmata three-dimensional (3D) ultrastructure with an unprecedented level of 3D information using electron tomography. We show that within plasmodesmata, ER-PM contact sites undergo substantial remodelling events during cell differentiation. Instead of being open pores, post-cytokinesis plasmodesmata present such intimate ER-PM contact along the entire length of the pores that no intermembrane gap is visible. Later on, during cell expansion, the plasmodesmata pore widens and the two membranes separate, leaving a cytosolic sleeve spanned by tethers whose presence correlates with the appearance of the intermembrane gap. Surprisingly, the post-cytokinesis plasmodesmata allow diffusion of macromolecules despite the apparent lack of an open cytoplasmic sleeve, forcing the reassessment of the mechanisms that control plant cell-cell communication.

The Calculation Study of Electronic Properties of Doped RE (Eu, Er and Tm)-GaN using Density Functional Theory

NASA Astrophysics Data System (ADS)

Zaharo, Aflah; Purqon, Acep

2017-07-01

The calculation of the structure and electronic properties of Rare Earth (RE) at the wurtzite Gallium Nitride (GaN) based on DFT has completed. GGA approximation used for exchange correlation and Ultra soft pseudo potential too. The stability structure of GaN is seen that difference lattice parameter 11% lower than another calculation and experiment result. It is shown the stability structure GaN have direct band gap energy on Gamma point hexagonal lattice Brillouin zone. The width Eg is 2.6 eV. When one atom Ga is substituted with one atom RE, the bond length is change 12 % longest. An in good agreement with theoretical doping RE concentration increases, the edge of energy level shifted towards to make the band gap narrow which is allow the optical transitions and help to improve the optical performance of GaN. The RE doped GaN is potentially applicable for various color of LED with lower energy consumption and potentially energy saving application

Short Telomeres Result in Organismal Hypersensitivity to Ionizing Radiation in Mammals

PubMed Central

Goytisolo, Fermín A.; Samper, Enrique; Martín-Caballero, Juan; Finnon, Paul; Herrera, Eloísa; Flores, Juana M.; Bouffler, Simon D.; Blasco, María A.

2000-01-01

Here we show a correlation between telomere length and organismal sensitivity to ionizing radiation (IR) in mammals. In particular, fifth generation (G5) mouse telomerase RNA (mTR)−/− mice, with telomeres 40% shorter than in wild-type mice, are hypersensitive to cumulative doses of gamma rays. 60% of the irradiated G5 mTR−/− mice die of acute radiation toxicity in the gastrointestinal tract, lymphoid organs, and kidney. The affected G5 mTR−/− mice show higher chromosomal damage and greater apoptosis than similarly irradiated wild-type controls. Furthermore, we show that G5 mTR−/− mice show normal frequencies of sister chromatid exchange and normal V(D)J recombination, suggesting that short telomeres do not significantly affect the efficiency of DNA double strand break repair in mammals. The IR-sensitive phenotype of G5 mTR−/− mice suggests that telomere function is one of the determinants of radiation sensitivity of whole animals. PMID:11104804

Koopmans-Compliant Spectral Functionals for Extended Systems

NASA Astrophysics Data System (ADS)

Nguyen, Ngoc Linh; Colonna, Nicola; Ferretti, Andrea; Marzari, Nicola

2018-04-01

Koopmans-compliant functionals have been shown to provide accurate spectral properties for molecular systems; this accuracy is driven by the generalized linearization condition imposed on each charged excitation, i.e., on changing the occupation of any orbital in the system, while accounting for screening and relaxation from all other electrons. In this work, we discuss the theoretical formulation and the practical implementation of this formalism to the case of extended systems, where a third condition, the localization of Koopmans's orbitals, proves crucial to reach seamlessly the thermodynamic limit. We illustrate the formalism by first studying one-dimensional molecular systems of increasing length. Then, we consider the band gaps of 30 paradigmatic solid-state test cases, for which accurate experimental and computational results are available. The results are found to be comparable with the state of the art in many-body perturbation theory, notably using just a functional formulation for spectral properties and the generalized-gradient approximation for the exchange and correlation functional.

Controlling Microstructure-Transport Interplay in Highly Phase-Separated Perfluorosulfonated Aromatic Multiblock Ionomers via Molecular Architecture Design.

PubMed

Nguyen, Huu-Dat; Assumma, Luca; Judeinstein, Patrick; Mercier, Regis; Porcar, Lionel; Jestin, Jacques; Iojoiu, Cristina; Lyonnard, Sandrine

2017-01-18

Proton-conducting multiblock polysulfones bearing perfluorosulfonic acid side chains were designed to encode nanoscale phase-separation, well-defined hydrophilic/hydrophobic interfaces, and optimized transport properties. Herein, we show that the superacid side chains yield highly ordered morphologies that can be tailored by best compromising ion-exchange capacity and block lengths. The obtained microstructures were extensively characterized by small-angle neutron scattering (SANS) over an extended range of hydration. Peculiar swelling behaviors were evidenced at two different scales and attributed to the dilution of locally flat polymer particles. We evidence the direct correlation between the quality of interfaces, the topology and connectivity of ionic nanodomains, the block superstructure long-range organization, and the transport properties. In particular, we found that the proton conductivity linearly depends on the microscopic expansion of both ionic and block domains. These findings indicate that neat nanoscale phase-separation and block-induced long-range connectivity can be optimized by designing aromatic ionomers with controlled architectures to improve the performances of polymer electrolyte membranes.

Buffering of protons released by mineral formation during amelogenesis in mice.

PubMed

Bronckers, Antonius L J J; Lyaruu, Don M; Jalali, Rozita; DenBesten, Pamela K

2016-10-01

Regulation of pH by ameloblasts during amelogenesis is critical for enamel mineralization. We examined the effects of reduced bicarbonate secretion and the presence or absence of amelogenins on ameloblast modulation and enamel mineralization. To that end, the composition of fluorotic and non-fluorotic enamel of several different mouse mutants, including enamel of cystic fibrosis transmembrane conductance regulator-deficient (Cftr null), anion exchanger-2-deficient (Ae2a,b null), and amelogenin-deficient (Amelx null) mice, was determined by quantitative X-ray microanalysis. Correlation analysis was carried out to compare the effects of changes in the levels of sulfated-matrix (S) and chlorine (Cl; for bicarbonate secretion) on mineralization and modulation. The chloride (Cl - ) levels in forming enamel determined the ability of ameloblasts to modulate, remove matrix, and mineralize enamel. In general, the lower the Cl - content, the stronger the negative effects. In Amelx-null mice, modulation was essentially normal and the calcium content was reduced least. Retention of amelogenins in enamel of kallikrein-4-deficient (Klk4-null) mice resulted in decreased mineralization and reduced the length of the first acid modulation band without changing the total length of all acidic bands. These data suggest that buffering by bicarbonates is critical for modulation, matrix removal and enamel mineralization. Amelogenins also act as a buffer but are not critical for modulation. © 2016 Eur J Oral Sci.

Consequences of a restrictive syringe exchange policy on utilization patterns of a syringe exchange program in Baltimore, Maryland: Implications for HIV risk

PubMed Central

Sherman, Susan G.; Patel, Shivani A.; Ramachandran, Daesha V.; Galai, Noya; Chaulk, Patrick; Serio-Chapman, Chris; Gindi, Renee M.

2016-01-01

Background Syringe distribution policies continue to be debated in many jurisdictions throughout the U.S. The Baltimore Needle and Syringe Exchange Program (NSP) operated under a 1-for-1 syringe exchange policy from its inception in 1994 through 1999, when it implemented a restrictive policy (2000–2004) that dictated less than 1-for-1 exchange for non-program syringes. Methods Data were derived from the Baltimore NSP, which prospectively collected data on all client visits. We examined the impact of this restrictive policy on program-level output measures (i.e., distributed:returned syringe ratio, client volume) before, during, and after the restrictive exchange policy. Through multiple logistic regression, we examined correlates of less than 1-for-1 exchange ratios at the client-level before and during the restrictive exchange policy periods. Results During the restrictive policy period, the average annual program-level ratio of total syringes distributed:returned dropped from 0.99 to 0.88, with a low point of 0.85 in 2000. There were substantial decreases in the average number of syringes distributed, syringes returned, the total number of clients, and new clients enrolling during the restrictive compared to the preceding period. During the restrictive period, 33,508 more syringes were returned to the needle exchange than were distributed. In the presence of other variables, correlates of less than 1-for-1 exchange ratio were being white, female, and less than 30 years old. Discussion With fewer clean syringes in circulation, restrictive policies could increase the risk of exposure to HIV among IDUs and the broader community. The study provides evidence to the potentially harmful effects of such policies. PMID:25919590

Willingness to Exchange Health Information via Mobile Devices: Findings From a Population-Based Survey.

PubMed

Serrano, Katrina J; Yu, Mandi; Riley, William T; Patel, Vaishali; Hughes, Penelope; Marchesini, Kathryn; Atienza, Audie A

2016-01-01

The rapid proliferation of mobile devices offers unprecedented opportunities for patients and health care professionals to exchange health information electronically, but little is known about patients' willingness to exchange various types of health information using these devices. We examined willingness to exchange different types of health information via mobile devices, and assessed whether sociodemographic characteristics and trust in clinicians were associated with willingness in a nationally representative sample. We analyzed data for 3,165 patients captured in the 2013 Health Information National Trends Survey. Multinomial logistic regression analysis was conducted to test differences in willingness. Ordinal logistic regression analysis assessed correlates of willingness to exchange 9 types of information separately. Participants were very willing to exchange appointment reminders (odds ratio [OR] = 6.66; 95% CI, 5.68-7.81), general health tips (OR = 2.03; 95% CI, 1.74-2.38), medication reminders (OR = 2.73; 95% CI, 2.35-3.19), laboratory/test results (OR = 1.76; 95% CI, 1.62-1.92), vital signs (OR = 1.63; 95% CI, 1.48-1.80), lifestyle behaviors (OR = 1.40; 95% CI, 1.24-1.58), and symptoms (OR = 1.62; 95% CI, 1.46-1.79) as compared with diagnostic information. Older adults had lower odds of being more willing to exchange any type of information. Education, income, and trust in health care professional information correlated with willingness to exchange certain types of information. Respondents were less willing to exchange via mobile devices information that may be considered sensitive or complex. Age, socioeconomic factors, and trust in professional information were associated with willingness to engage in mobile health information exchange. Both information type and demographic group should be considered when developing and tailoring mobile technologies for patient-clinician communication. © 2016 Annals of Family Medicine, Inc.

Analyzing the Cross-Correlation Between Onshore and Offshore RMB Exchange Rates Based on Multifractal Detrended Cross-Correlation Analysis (MF-DCCA)

NASA Astrophysics Data System (ADS)

Xie, Chi; Zhou, Yingying; Wang, Gangjin; Yan, Xinguo

We use the multifractal detrended cross-correlation analysis (MF-DCCA) method to explore the multifractal behavior of the cross-correlation between exchange rates of onshore RMB (CNY) and offshore RMB (CNH) against US dollar (USD). The empirical data are daily prices of CNY/USD and CNH/USD from May 1, 2012 to February 29, 2016. The results demonstrate that: (i) the cross-correlation between CNY/USD and CNH/USD is persistent and its fluctuation is smaller when the order of fluctuation function is negative than that when the order is positive; (ii) the multifractal behavior of the cross-correlation between CNY/USD and CNH/USD is significant during the sample period; (iii) the dynamic Hurst exponents obtained by the rolling windows analysis show that the cross-correlation is stable when the global economic situation is good and volatile in bad situation; and (iv) the non-normal distribution of original data has a greater effect on the multifractality of the cross-correlation between CNY/USD and CNH/USD than the temporary correlation.

Variations in the rotation of the earth

NASA Astrophysics Data System (ADS)

Carter, W. E.; Robertson, D. S.; Pettey, J. E.; Tapley, B. D.; Schutz, B. E.; Eanes, R. J.; Miao, L.

Variations in the earth's rotation (UTI) and length of day have been tracked at the submillisecond level by astronomical radio interferometry and laser ranging to the LAGEOS satellite. Three years of regular measurements reveal complex patterns of variations including UTI fluctuations as large as 5 milliseconds in a few weeks. Comparison of the observed changes in length of day with variations in the global atmospheric angular momentum indicates that the dominant cause of changes in the earth's spin rate, on time scales from a week to several years, is the exchange of angular momentum between the atmosphere and the mantle. The unusually intense El Nino of 1982-1983 was marked by a strong peak in the length of day.

Correlations of Handgrip Strength with Selected Hand-Arm-Anthropometric Variables in Indian Inter-university Female Volleyball Players

PubMed Central

Koley, Shyamal; Pal Kaur, Satinder

2011-01-01

Purpose The purpose of this study was to estimate the dominant handgrip strength and its correlations with some hand and arm anthropometric variables in 101 randomly selected Indian inter-university female volleyball players aged 18-25 years (mean age 20.52±1.40) from six Indian universities. Methods Three anthropometric variables, i.e. height, weight, BMI, two hand anthropometric variables, viz. right and left hand width and length, four arm anthropometric variables, i.e. upper arm length, lower arm length, upper extremity length, upper arm circumference and dominant right and non-dominant handgrip strength were measured among Indian inter-university female volleyball players by standard anthropometric techniques. Results The findings of the present study indicated that Indian female volleyball players had higher mean values in eleven variables and lesser mean values in two variables than their control counterparts, showing significant differences (P<0.032-0.001) in height (t=2.63), weight (t=8.66), left hand width (t=2.10), left and right hand length (t=9.99 and 10.40 respectively), right upper arm length (t=8.48), right forearm length (t=5.41), dominant (right) and non-dominant (left) handgrip strength (t=9.37 and 6.76 respectively). In female volleyball players, dominant handgrip strength had significantly positive correlations (P=0.01) with all the variables studied. Conclusion It may be concluded that dominant handgrip strength had strong positive correlations with all the variables studied in Indian inter-university female volleyball players. PMID:22375242

Posterolateral Trajectories Favor a Longer Motor Domain in Subthalamic Nucleus Deep Brain Stimulation for Parkinson Disease.

PubMed

Tamir, Idit; Marmor-Levin, Odeya; Eitan, Renana; Bergman, Hagai; Israel, Zvi

2017-10-01

The clinical outcome of patients with Parkinson disease (PD) who undergo subthalamic nucleus (STN) deep brain stimulation (DBS) is, in part, determined by the length of the electrode trajectory through the motor STN domain, the dorsolateral oscillatory region (DLOR). Trajectory length has been found to correlate with the stimulation-related improvement in patients' motor function (estimated by part III of the United Parkinson's Disease Rating Scale [UPDRS]). Therefore, it seems that ideally trajectories should have maximal DLOR length. We retrospectively studied the influence of various anatomic aspects of the brains of patients with PD and the geometry of trajectories planned on the length of the DLOR and STN recorded during DBS surgery. We examined 212 trajectories and 424 microelectrode recording tracks in 115 patients operated on in our center between 2010 and 2015. We found a strong correlation between the length of the recorded DLOR and STN. Trajectories that were more lateral and/or posterior in orientation had a longer STN and DLOR pass, although the DLOR/STN fraction length remained constant. The STN target was more lateral when the third ventricle was wider, and the latter correlated with older age and male gender. Trajectory angles correlate with the recorded STN and DLOR lengths, and should be altered toward a more posterolateral angle in older patients and atrophied brains to compensate for the changes in STN location and geometry. These fine adjustments should yield a longer motor domain pass, thereby improving the patient's predicted outcome. Copyright © 2017 Elsevier Inc. All rights reserved.

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.

The Long and the Short of it: On the Nature and Origin of Functional Overlap Between Representations of Space and Time

PubMed Central

Srinivasan, Mahesh; Carey, Susan

2010-01-01

When we describe time, we often use the language of space (The movie was long; The deadline is approaching). Experiments 1–3 asked whether—as patterns in language suggest—a structural similarity between representations of spatial length and temporal duration is easier to access than one between length and other dimensions of experience, such as loudness. Adult participants were shown pairings of lines of different length with tones of different duration (Experiment 1) or tones of different loudness (Experiment 2). The length of the lines and duration or loudness of the tones was either positively or negatively correlated. Participants were better able to bind particular lengths and durations when they were positively correlated than when they were not, a pattern not observed for pairings of lengths and tone amplitudes, even after controlling for the presence of visual cues to duration in Experiment 1 (Experiment 3). This suggests that representations of length and duration may functionally overlap to a greater extent than representations of length and loudness. Experiments 4 and 5 asked whether experience with and mastery of words like long and short—which can flexibly refer to both space and time—itself creates this privileged relationship. Nine-month-old infants, like adults, were better able to bind representations of particular lengths and durations when these were positively correlated (Experiment 4), and failed to show this pattern for pairings of lengths and tone amplitudes (Experiment 5). We conclude that the functional overlap between representations of length and duration does not result from a metaphoric construction processes mediated by learning to flexibly use words such as long and short. We suggest instead that it may reflect an evolutionary recycling of spatial representations for more general purposes. PMID:20537324

Stature Estimation from Lower Limb Anthropometry using Linear Regression Analysis: A Study on the Malaysian Population.

PubMed

Abu Bakar, S N; Aspalilah, A; AbdelNasser, I; Nurliza, A; Hairuliza, M J; Swarhib, M; Das, S; Mohd Nor, F

2017-01-01

Stature is one of the characteristics that could be used to identify human, besides age, sex and racial affiliation. This is useful when the body found is either dismembered, mutilated or even decomposed, and helps in narrowing down the missing person's identity. The main aim of the present study was to construct regression functions for stature estimation by using lower limb bones in the Malaysian population. The sample comprised 87 adult individuals (81 males, 6 females) aged between 20 to 79 years. The parameters such as thigh length, lower leg length, leg length, foot length, foot height and foot breadth were measured. They were measured by a ruler and measuring tape. Statistical analysis involved independent t-test to analyse the difference between lower limbs in male and female. The Pearson's correlation test was used to analyse correlations between lower limb parameters and stature, and the linear regressions were used to form equations. The paired t-test was used to compare between actual stature and estimated stature by using the equations formed. Using independent t-test, there was a significant difference (p< 0.05) in the measurement between males and females with regard to leg length, thigh length, lower leg length, foot length and foot breadth. The thigh length, leg length and foot length were observed to have strong correlations with stature with p= 0.75, p= 0.81 and p= 0.69, respectively. Linear regressions were formulated for stature estimation. Paired t-test showed no significant difference between actual stature and estimated stature. It is concluded that regression functions can be used to estimate stature to identify skeletal remains in the Malaysia population.

Maximum step length: relationships to age and knee and hip extensor capacities.

PubMed

Schulz, Brian W; Ashton-Miller, James A; Alexander, Neil B

2007-07-01

Maximum Step Length may be used to identify older adults at increased risk for falls. Since leg muscle weakness is a risk factor for falls, we tested the hypotheses that maximum knee and hip extension speed, strength, and power capacities would significantly correlate with Maximum Step Length and also that the "step out and back" Maximum Step Length [Medell, J.L., Alexander, N.B., 2000. A clinical measure of maximal and rapid stepping in older women. J. Gerontol. A Biol. Sci. Med. Sci. 55, M429-M433.] would also correlate with the Maximum Step Length of its two sub-tasks: stepping "out only" and stepping "back only". These sub-tasks will be referred to as versions of Maximum Step Length. Unimpaired younger (N=11, age=24[3]years) and older (N=10, age=73[5]years) women performed the above three versions of Maximum Step Length. Knee and hip extension speed, strength, and power capacities were determined on a separate day and regressed on Maximum Step Length and age group. Version and practice effects were quantified and subjective impressions of test difficulty recorded. Hypotheses were tested using linear regressions, analysis of variance, and Fisher's exact test. Maximum Step Length explained 6-22% additional variance in knee and hip extension speed, strength, and power capacities after controlling for age group. Within- and between-block and test-retest correlation values were high (>0.9) for all test versions. Shorter Maximum Step Lengths are associated with reduced knee and hip extension speed, strength, and power capacities after controlling for age. A single out-and-back step of maximal length is a feasible, rapid screening measure that may provide insight into underlying functional impairment, regardless of age.

Length bias correction in gene ontology enrichment analysis using logistic regression.

PubMed

Mi, Gu; Di, Yanming; Emerson, Sarah; Cumbie, Jason S; Chang, Jeff H

2012-01-01

When assessing differential gene expression from RNA sequencing data, commonly used statistical tests tend to have greater power to detect differential expression of genes encoding longer transcripts. This phenomenon, called "length bias", will influence subsequent analyses such as Gene Ontology enrichment analysis. In the presence of length bias, Gene Ontology categories that include longer genes are more likely to be identified as enriched. These categories, however, are not necessarily biologically more relevant. We show that one can effectively adjust for length bias in Gene Ontology analysis by including transcript length as a covariate in a logistic regression model. The logistic regression model makes the statistical issue underlying length bias more transparent: transcript length becomes a confounding factor when it correlates with both the Gene Ontology membership and the significance of the differential expression test. The inclusion of the transcript length as a covariate allows one to investigate the direct correlation between the Gene Ontology membership and the significance of testing differential expression, conditional on the transcript length. We present both real and simulated data examples to show that the logistic regression approach is simple, effective, and flexible.

The relationship-based care model: evaluation of the impact on patient satisfaction, length of stay, and readmission rates.

PubMed

Cropley, Stacey

2012-06-01

The objective of this study was to assess the impact of the implementation of the relationship-based care (RBC) model on patient satisfaction, length of stay, and readmission rates in hospitalized patients. RBC model promotes organizational viability in critical areas that measure success, inclusive of clinical quality, patient satisfaction, and robust financial standing. A retrospective secondary analysis of aggregate patient satisfaction data, length of stay, and readmission rates at a rural Texas hospital was reviewed for the years 2009 and 2010. This study compared preimplementation data for year 2009 with postimplementation data for year 2010. Data support the positive influential impact of RBC model. A negative correlation was noted with readmission rates and a concomitant positive correlation with length of stay. Overall satisfaction with nursing did not reveal a significant correlation to the new care model. RBC model supports a patient-centered, collaborative care environment, maximizing potential reimbursement.

Predictive value of magnetic resonance imaging determined tumor contact length for extracapsular extension of prostate cancer.

PubMed

Baco, Eduard; Rud, Erik; Vlatkovic, Ljiljana; Svindland, Aud; Eggesbø, Heidi B; Hung, Andrew J; Matsugasumi, Toru; Bernhard, Jean-Christophe; Gill, Inderbir S; Ukimura, Osamu

2015-02-01

Tumor contact length is defined as the amount of prostate cancer in contact with the prostatic capsule. We evaluated the ability of magnetic resonance imaging determined tumor contact length to predict microscopic extracapsular extension compared to existing predictors of extracapsular extension. We retrospectively analyzed the records of 111 consecutive patients with magnetic resonance imaging/ultrasound fusion targeted, biopsy proven prostate cancer who underwent radical prostatectomy from January 2010 to July 2013. Median patient age was 64 years and median prostate specific antigen was 8.9 ng/ml. Clinical stage was cT1 in 93 cases (84%) and cT2 in 18 (16%). Postoperative pathological analysis confirmed pT2 in 71 patients (64%) and pT3 in 40 (36%). We evaluated 1) in the radical prostatectomy specimen the correlation of microscopic extracapsular extension with pathological cancer volume, pathological tumor contact length and Gleason score, 2) the correlation between microscopic extracapsular extension and magnetic resonance imaging tumor contact length, and 3) the ability of preoperative variables to predict microscopic extracapsular extension. Logistic regression analysis revealed that pathological tumor contact length correlated better with microscopic extracapsular extension than the predictive power of pathological cancer volume (0.821 vs 0.685). The Spearman correlation between pathological and magnetic resonance imaging tumor contact length was r = 0.839 (p <0.0001). ROC AUC analysis revealed that magnetic resonance imaging tumor contact length outperformed cancer core involvement on targeted biopsy and the Partin tables to predict microscopic extracapsular extension (0.88 vs 0.70 and 0.63, respectively). At a magnetic resonance imaging tumor contact length threshold of 20 mm the accuracy for diagnosing microscopic extracapsular extension was superior to that of conventional magnetic resonance imaging criteria (82% vs 67%, p = 0.015). We developed a predicted probability plot curve of extracapsular extension according to magnetic resonance imaging tumor contact length. Magnetic resonance imaging determined tumor contact length could be a promising quantitative predictor of microscopic extracapsular extension. Copyright © 2015 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

Efficient construction of exchange and correlation potentials by inverting the Kohn-Sham equations.

PubMed

Kananenka, Alexei A; Kohut, Sviataslau V; Gaiduk, Alex P; Ryabinkin, Ilya G; Staroverov, Viktor N

2013-08-21

Given a set of canonical Kohn-Sham orbitals, orbital energies, and an external potential for a many-electron system, one can invert the Kohn-Sham equations in a single step to obtain the corresponding exchange-correlation potential, vXC(r). For orbitals and orbital energies that are solutions of the Kohn-Sham equations with a multiplicative vXC(r) this procedure recovers vXC(r) (in the basis set limit), but for eigenfunctions of a non-multiplicative one-electron operator it produces an orbital-averaged potential. In particular, substitution of Hartree-Fock orbitals and eigenvalues into the Kohn-Sham inversion formula is a fast way to compute the Slater potential. In the same way, we efficiently construct orbital-averaged exchange and correlation potentials for hybrid and kinetic-energy-density-dependent functionals. We also show how the Kohn-Sham inversion approach can be used to compute functional derivatives of explicit density functionals and to approximate functional derivatives of orbital-dependent functionals.

Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory.

PubMed

Sharpe, Daniel J; Levy, Mel; Tozer, David J

2018-02-13

Levy and Zahariev [Phys. Rev. Lett. 113 113002 (2014)] have proposed a new approach for performing density functional theory calculations, termed direct energy Kohn-Sham (DEKS) theory. In this approach, the electronic energy equals the sum of orbital energies, obtained from Kohn-Sham-like orbital equations involving a shifted Hartree-exchange-correlation potential, which must be approximated. In the present study, density scaling homogeneity considerations are used to facilitate DEKS calculations on a series of atoms and molecules, leading to three nonlocal approximations to the shifted potential. The first two rely on preliminary Kohn-Sham calculations using a standard generalized gradient approximation (GGA) exchange-correlation functional and the results illustrate the benefit of describing the dominant Hartree component of the shift exactly. A uniform electron gas analysis is used to eliminate the need for these preliminary Kohn-Sham calculations, leading to a potential with an unconventional form that yields encouraging results, providing strong motivation for further research in DEKS theory.

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.

Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds

NASA Astrophysics Data System (ADS)

Gabardi, Silvia; Caravati, Sebastiano; Los, Jan H.; Kühne, Thomas D.; Bernasconi, Marco

2016-05-01

We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In3SbTe2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge2Sb2Te5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds.

PubMed

Gabardi, Silvia; Caravati, Sebastiano; Los, Jan H; Kühne, Thomas D; Bernasconi, Marco

2016-05-28

We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In3SbTe2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge2Sb2Te5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

A density difference based analysis of orbital-dependent exchange-correlation functionals

NASA Astrophysics Data System (ADS)

Grabowski, Ireneusz; Teale, Andrew M.; Fabiano, Eduardo; Śmiga, Szymon; Buksztel, Adam; Della Sala, Fabio

2014-03-01

We present a density difference based analysis for a range of orbital-dependent Kohn-Sham functionals. Results for atoms, some members of the neon isoelectronic series and small molecules are reported and compared with ab initio wave function calculations. Particular attention is paid to the quality of approximations to the exchange-only optimised effective potential (OEP) approach: we consider both the localised Hartree-Fock as well as the Krieger-Li-Iafrate methods. Analysis of density differences at the exchange-only level reveals the impact of the approximations on the resulting electronic densities. These differences are further quantified in terms of the ground state energies, frontier orbital energy differences and highest occupied orbital energies obtained. At the correlated level, an OEP approach based on a perturbative second-order correlation energy expression is shown to deliver results comparable with those from traditional wave function approaches, making it suitable for use as a benchmark against which to compare standard density functional approximations.

Rapid and quantitative chemical exchange saturation transfer (CEST) imaging with magnetic resonance fingerprinting (MRF).

PubMed

Cohen, Ouri; Huang, Shuning; McMahon, Michael T; Rosen, Matthew S; Farrar, Christian T

2018-05-13

To develop a fast magnetic resonance fingerprinting (MRF) method for quantitative chemical exchange saturation transfer (CEST) imaging. We implemented a CEST-MRF method to quantify the chemical exchange rate and volume fraction of the N α -amine protons of L-arginine (L-Arg) phantoms and the amide and semi-solid exchangeable protons of in vivo rat brain tissue. L-Arg phantoms were made with different concentrations (25-100 mM) and pH (pH 4-6). The MRF acquisition schedule varied the saturation power randomly for 30 iterations (phantom: 0-6 μT; in vivo: 0-4 μT) with a total acquisition time of ≤2 min. The signal trajectories were pattern-matched to a large dictionary of signal trajectories simulated using the Bloch-McConnell equations for different combinations of exchange rate, exchangeable proton volume fraction, and water T 1 and T 2 relaxation times. The chemical exchange rates of the N α -amine protons of L-Arg were significantly (P < 0.0001) correlated with the rates measured with the quantitation of exchange using saturation power method. Similarly, the L-Arg concentrations determined using MRF were significantly (P < 0.0001) correlated with the known concentrations. The pH dependence of the exchange rate was well fit (R 2  = 0.9186) by a base catalyzed exchange model. The amide proton exchange rate measured in rat brain cortex (34.8 ± 11.7 Hz) was in good agreement with that measured previously with the water exchange spectroscopy method (28.6 ± 7.4 Hz). The semi-solid proton volume fraction was elevated in white (12.2 ± 1.7%) compared to gray (8.1 ± 1.1%) matter brain regions in agreement with previous magnetization transfer studies. CEST-MRF provides a method for fast, quantitative CEST imaging. © 2018 International Society for Magnetic Resonance in Medicine.

Importance of the Correlation between Width and Length in the Shape Analysis of Nanorods: Use of a 2D Size Plot To Probe Such a Correlation.

PubMed

Zhao, Zhihua; Zheng, Zhiqin; Roux, Clément; Delmas, Céline; Marty, Jean-Daniel; Kahn, Myrtil L; Mingotaud, Christophe

2016-08-22

Analysis of nanoparticle size through a simple 2D plot is proposed in order to extract the correlation between length and width in a collection or a mixture of anisotropic particles. Compared to the usual statistics on the length associated with a second and independent statistical analysis of the width, this simple plot easily points out the various types of nanoparticles and their (an)isotropy. For each class of nano-objects, the relationship between width and length (i.e., the strong or weak correlations between these two parameters) may suggest information concerning the nucleation/growth processes. It allows one to follow the effect on the shape and size distribution of physical or chemical processes such as simple ripening. Various electron microscopy pictures from the literature or from the authors' own syntheses are used as examples to demonstrate the efficiency and simplicity of the proposed 2D plot combined with a multivariate analysis. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Characteristics of Postprandial Proximal Gastric Acid Pocket in Gastroesophageal Reflux Disease

PubMed Central

Wu, Jing; Liu, Dong; Feng, Cheng; Luo, Yumei; Nian, Yuanyuan; Wang, Xueqin; Zhang, Jun

2018-01-01

Background Postprandial proximal gastric acid pocket (PPGAP) plays important roles in gastroesophageal reflux disease (GERD). In this study, we analyzed the characteristics of PPGAP in GERD. Material/Methods There were 17 normal participants and 20 GERD patients who completed a gastroesophageal reflux disease questionnaire (GerdQ) and underwent a gastroscopy, a high-resolution manometry, an esophageal 24-hour pH monitoring, and a station pull-through pH monitoring to assess their symptomatic degree, endoscopic change, acid exposure, and PPGAP. Results PPGAP was present in all participants. Compared with normal participants, the PPGAP in GERD patients was significantly different, thus the disappearing time was significantly later (p<0.001), the lasting time was significantly longer (p<0.001), the length was significantly longer (p<0.001), and the lowest pH and the mean pH were significantly lower (p<0.001). The length of PPGAP in GERD patients was positively correlated with GerdQ score (p<0.05). The disappearing time, the lasting time, and the length of PPGAP in GERD patients was positively correlated with the DeMeester score (p<0.01). The lowest pH and the mean pH of PPGAP in GERD patients was negatively correlated with the DeMeester score (p<0.001). Conclusions PPGAP was generally present. PPGAP in GERD patients had characteristics of long time period, long length, and high acidity. Its length was positively correlated with subjective symptomatic degree. Its period, length, and acidity were positively correlated with the objective acid exposure. PPGAP seems to be the originator of acid reflux events and plays important roles in GERD. PMID:29309401

Spinal cord normalization in multiple sclerosis.

PubMed

Oh, Jiwon; Seigo, Michaela; Saidha, Shiv; Sotirchos, Elias; Zackowski, Kathy; Chen, Min; Prince, Jerry; Diener-West, Marie; Calabresi, Peter A; Reich, Daniel S

2014-01-01

Spinal cord (SC) pathology is common in multiple sclerosis (MS), and measures of SC-atrophy are increasingly utilized. Normalization reduces biological variation of structural measurements unrelated to disease, but optimal parameters for SC volume (SCV)-normalization remain unclear. Using a variety of normalization factors and clinical measures, we assessed the effect of SCV normalization on detecting group differences and clarifying clinical-radiological correlations in MS. 3T cervical SC-MRI was performed in 133 MS cases and 11 healthy controls (HC). Clinical assessment included expanded disability status scale (EDSS), MS functional composite (MSFC), quantitative hip-flexion strength ("strength"), and vibration sensation threshold ("vibration"). SCV between C3 and C4 was measured and normalized individually by subject height, SC-length, and intracranial volume (ICV). There were group differences in raw-SCV and after normalization by height and length (MS vs. HC; progressive vs. relapsing MS-subtypes, P < .05). There were correlations between clinical measures and raw-SCV (EDSS:r = -.20; MSFC:r = .16; strength:r = .35; vibration:r = -.19). Correlations consistently strengthened with normalization by length (EDSS:r = -.43; MSFC:r = .33; strength:r = .38; vibration:r = -.40), and height (EDSS:r = -.26; MSFC:r = .28; strength:r = .22; vibration:r = -.29), but diminished with normalization by ICV (EDSS:r = -.23; MSFC:r = -.10; strength:r = .23; vibration:r = -.35). In relapsing MS, normalization by length allowed statistical detection of correlations that were not apparent with raw-SCV. SCV-normalization by length improves the ability to detect group differences, strengthens clinical-radiological correlations, and is particularly relevant in settings of subtle disease-related SC-atrophy in MS. SCV-normalization by length may enhance the clinical utility of measures of SC-atrophy. Copyright © 2014 by the American Society of Neuroimaging.

Parameter motivated mutual correlation analysis: Application to the study of currency exchange rates based on intermittency parameter and Hurst exponent

NASA Astrophysics Data System (ADS)

Cristescu, Constantin P.; Stan, Cristina; Scarlat, Eugen I.; Minea, Teofil; Cristescu, Cristina M.

2012-04-01

We present a novel method for the parameter oriented analysis of mutual correlation between independent time series or between equivalent structures such as ordered data sets. The proposed method is based on the sliding window technique, defines a new type of correlation measure and can be applied to time series from all domains of science and technology, experimental or simulated. A specific parameter that can characterize the time series is computed for each window and a cross correlation analysis is carried out on the set of values obtained for the time series under investigation. We apply this method to the study of some currency daily exchange rates from the point of view of the Hurst exponent and the intermittency parameter. Interesting correlation relationships are revealed and a tentative crisis prediction is presented.

Gait-cycle characteristics and running economy in elite Eritrean and European runners.

PubMed

Santos-Concejero, Jordan; Oliván, Jesús; Maté-Muñoz, José L; Muniesa, Carlos; Montil, Marta; Tucker, Ross; Lucia, Alejandro

2015-04-01

This study aimed to determine whether biomechanical characteristics such as ground-contact time, swing time, and stride length and frequency contribute to the exceptional running economy of East African runners. Seventeen elite long-distance runners (9 Eritrean, 8 European) performed an incremental maximal running test and 3 submaximal running bouts at 17, 19, and 21 km/h. During the tests, gas-exchange parameters were measured to determine maximal oxygen uptake (VO2max) and running economy (RE). In addition, ground-contact time, swing time, stride length, and stride frequency were measured. The European runners had higher VO2max values than the Eritrean runners (77.2 ± 5.2 vs 73.5 ± 6.0 mL · kg-1 · min-1, P = .011, effect sizes [ES] = 0.65), although Eritrean runners were more economical at 19 km/h (191.4 ± 10.4 vs 205.9 ± 13.3 mL · kg-1 · min-1, P = .026, ES = 1.21). There were no differences between groups for ground-contact time, swing time, stride length, or stride frequency at any speed. Swing time was associated with running economy at 21 km/h in the Eritrean runners (r = .71, P = .033), but no other significant association was found between RE and biomechanical variables. Finally, best 10-km performance was significantly correlated with RE (r = -.57; P = .013). Eritrean runners have superior RE compared with elite European runners. This appears to offset their inferior VO2max. However, the current data suggest that their better RE does not have a biomechanical basis. Other factors, not measured in the current study, may contribute to this RE advantage.

Magnetosonic solitons in semiconductor plasmas in the presence of quantum tunneling and exchange correlation effects

NASA Astrophysics Data System (ADS)

Hussain, S.; Mahmood, S.

2018-01-01

Low frequency magnetosonic wave excitations are investigated in semiconductor hole-electron plasmas. The quantum mechanical effects such as Fermi pressure, quantum tunneling, and exchange-correlation of holes and electrons in the presence of the magnetic field are considered. The two fluid quantum magnetohydrodynamic model is used to study magnetosonic wave dynamics, while electric and magnetic fields are coupled via Maxwell equations. The dispersion relation of the magnetosonic wave in electron-hole semiconductor plasma propagating in the perpendicular direction of the magnetic field is obtained, and its dispersion effects are discussed. The Korteweg-de Vries equation (KdV) for magnetosonic solitons is derived by employing the reductive perturbation method. For numerical analysis, the plasma parameters are taken from the semiconductors such as GaAs, GaSb, GaN, and InP already existing in the literature. It is found that the phase velocity of the magnetosonic wave is increased with the inclusion of exchange-correlation force in the model. The soliton dip structures of the magnetosonic wave in GaN semiconductor plasma are obtained, which satisfy the quantum plasma conditions for electron and hole fluids. The magnetosonic soliton dip structures move with speed less than the magnetosonic wave phase speed in the lab frame. The effects of exchange-correlation force in the model and variations of magnetic field intensity and electron/hole density on the magnetosonic wave dip structures are also investigated numerically for illustration.

A Solution NMR Investigation into the Murine Amelogenin Splice-Variant LRAP (Leucine-Rich Amelogenin Protein).

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

Buchko, Garry W.; Tarasevich, Barbara J.; Roberts, Jacky

2010-09-01

Amelogenins are the dominant proteins present in ameloblasts during the early stages of enamel biomineralization, making up >90% of the matrix protein. Along with the full-length protein there are several splice-variant isoforms of amelogenin present including LRAP (Leucine-Rich Amelogenin Protein), a protein that consists of the first 33 and the last 26 residues of full-length amelogenin. Using solution-state NMR spectroscopy we have assigned the 1H-15N HSQC spectrum of murine LRAP (rp(H)LRAP) in 2% acetic acid at pH 3.0 by making extensive use of previous chemical shift assignments for full-length murine amelogenin (rp(H)M180). This correlation was possible because LRAP, like themore » full-length protein, is intrinsically disordered under these solution conditions. The major difference between the 1H-15N HSQC spectra of rp(H)M180 and rp(H)LRAP was an additional set of amide resonances for each of the seven non-proline residues between S12* and Y12 at the N-terminus of rp(H)LRAP indicating that the N-terminal region of LRAP exists in two different conformations. Analysis of the proline carbon chemical shifts suggest that the molecular basis for the two states is not a cis-trans isomerization of one or more of the proline residues in the N-terminal region and is likely due to a slow exchange process. As observed with rp(H)M180, residue specific changes in molecular dynamics, manifested by the reduction in intensity and disappearance of 1H-15N HSQC cross peaks, were observed with the addition of NaCl to rp(H)LRAP. These perturbations may signal early events governing supramolecular self-assembly of rp(H)LRAP into nanospheres. However, the different pattern of 1H-15N HSQC cross peak perturbation between rp(H)LRAP and rp(H)M180 in high salt suggest that the termini may behave differently in their respective nanospheres, and perhaps, these differences account for the cell signaling properties attributable to LRAP but not the full-length protein.« less

Ionization energies and electron affinities from a random-phase-approximation many-body Green's-function method including exchange interactions

NASA Astrophysics Data System (ADS)

Heßelmann, Andreas

2017-06-01

A many-body Green's-function method employing an infinite order summation of ring and exchange-ring contributions to the self-energy is presented. The individual correlation and relaxation contributions to the quasiparticle energies are calculated using an iterative scheme which utilizes density fitting of the particle-hole, particle-particle and hole-hole densities. It is shown that the ionization energies and electron affinities of this approach agree better with highly accurate coupled-cluster singles and doubles with perturbative triples energy difference results than those obtained with second-order Green's-function approaches. An analysis of the correlation and relaxation terms of the self-energy for the direct- and exchange-random-phase-approximation (RPA) Green's-function methods shows that the inclusion of exchange interactions leads to a reduction of the two contributions in magnitude. These differences, however, strongly cancel each other when summing the individual terms to the quasiparticle energies. Due to this, the direct- and exchange-RPA methods perform similarly for the description of ionization energies (IPs) and electron affinities (EAs). The coupled-cluster reference IPs and EAs, if corrected to the adiabatic energy differences between the neutral and charged molecules, were shown to be in very good agreement with experimental measurements.

Determination of rational parameters for process of grinding materials pre-crushed by pressure in ball mill

NASA Astrophysics Data System (ADS)

Romanovich, A. A.; Romanovich, L. G.; Chekhovskoy, E. I.

2018-03-01

The article presents the results of experimental studies on the grinding process of a clinker preliminarily ground in press roller mills in a ball mill equipped with energy exchange devices. The authors studied the influence of the coefficients of loading for grinding bodies of the first and second mill chambers, their lengths, angles of inclination, and the mutual location of energy exchange devices (the ellipse segment and the double-acting blade) on the output parameters of the grinding process (productivity, drive power consumption and specific energy consumption). It is clarified that the best results of the disaggregation and grinding process, judging by the minimum specific energy consumption in the grinding of clinker with an anisotropic texture after force deformation between the rolls of a press roller shredder, are achieved at a certain angle of ellipse segment inclination; the length of the first chamber and the coefficients of loading the chambers with grinding bodies.

Myosin II Controls Junction Fluctuations to Guide Epithelial Tissue Ordering.

PubMed

Curran, Scott; Strandkvist, Charlotte; Bathmann, Jasper; de Gennes, Marc; Kabla, Alexandre; Salbreux, Guillaume; Baum, Buzz

2017-11-20

Under conditions of homeostasis, dynamic changes in the length of individual adherens junctions (AJs) provide epithelia with the fluidity required to maintain tissue integrity in the face of intrinsic and extrinsic forces. While the contribution of AJ remodeling to developmental morphogenesis has been intensively studied, less is known about AJ dynamics in other circumstances. Here, we study AJ dynamics in an epithelium that undergoes a gradual increase in packing order, without concomitant large-scale changes in tissue size or shape. We find that neighbor exchange events are driven by stochastic fluctuations in junction length, regulated in part by junctional actomyosin. In this context, the developmental increase of isotropic junctional actomyosin reduces the rate of neighbor exchange, contributing to tissue order. We propose a model in which the local variance in tension between junctions determines whether actomyosin-based forces will inhibit or drive the topological transitions that either refine or deform a tissue. Copyright © 2017. Published by Elsevier Inc.

Systematic asymmetric nucleotide exchanges produce human mitochondrial RNAs cryptically encoding for overlapping protein coding genes.

PubMed

Seligmann, Hervé

2013-05-07

GenBank's EST database includes RNAs matching exactly human mitochondrial sequences assuming systematic asymmetric nucleotide exchange-transcription along exchange rules: A→G→C→U/T→A (12 ESTs), A→U/T→C→G→A (4 ESTs), C→G→U/T→C (3 ESTs), and A→C→G→U/T→A (1 EST), no RNAs correspond to other potential asymmetric exchange rules. Hypothetical polypeptides translated from nucleotide-exchanged human mitochondrial protein coding genes align with numerous GenBank proteins, predicted secondary structures resemble their putative GenBank homologue's. Two independent methods designed to detect overlapping genes (one based on nucleotide contents analyses in relation to replicative deamination gradients at third codon positions, and circular code analyses of codon contents based on frame redundancy), confirm nucleotide-exchange-encrypted overlapping genes. Methods converge on which genes are most probably active, and which not, and this for the various exchange rules. Mean EST lengths produced by different nucleotide exchanges are proportional to (a) extents that various bioinformatics analyses confirm the protein coding status of putative overlapping genes; (b) known kinetic chemistry parameters of the corresponding nucleotide substitutions by the human mitochondrial DNA polymerase gamma (nucleotide DNA misinsertion rates); (c) stop codon densities in predicted overlapping genes (stop codon readthrough and exchanging polymerization regulate gene expression by counterbalancing each other). Numerous rarely expressed proteins seem encoded within regular mitochondrial genes through asymmetric nucleotide exchange, avoiding lengthening genomes. Intersecting evidence between several independent approaches confirms the working hypothesis status of gene encryption by systematic nucleotide exchanges. Copyright © 2013 Elsevier Ltd. All rights reserved.

Universality of modulation length and time exponents.

PubMed

Chakrabarty, Saurish; Dobrosavljević, Vladimir; Seidel, Alexander; Nussinov, Zohar

2012-10-01

We study systems with a crossover parameter λ, such as the temperature T, which has a threshold value λ(*) across which the correlation function changes from exhibiting fixed wavelength (or time period) modulations to continuously varying modulation lengths (or times). We introduce a hitherto unknown exponent ν(L) characterizing the universal nature of this crossover and compute its value in general instances. This exponent, similar to standard correlation length exponents, is obtained from motion of the poles of the momentum (or frequency) space correlation functions in the complex k-plane (or ω-plane) as the parameter λ is varied. Near the crossover (i.e., for λ→λ(*)), the characteristic modulation wave vector K(R) in the variable modulation length "phase" is related to that in the fixed modulation length "phase" q via |K(R)-q|[proportionality]|T-T(*)|(νL). We find, in general, that ν(L)=1/2. In some special instances, ν(L) may attain other rational values. We extend this result to general problems in which the eigenvalue of an operator or a pole characterizing general response functions may attain a constant real (or imaginary) part beyond a particular threshold value λ(*). We discuss extensions of this result to multiple other arenas. These include the axial next-nearest-neighbor Ising (ANNNI) model. By extending our considerations, we comment on relations pertaining not only to the modulation lengths (or times), but also to the standard correlation lengths (or times). We introduce the notion of a Josephson time scale. We comment on the presence of aperiodic "chaotic" modulations in "soft-spin" and other systems. These relate to glass-type features. We discuss applications to Fermi systems, with particular application to metal to band insulator transitions, change of Fermi surface topology, divergent effective masses, Dirac systems, and topological insulators. Both regular periodic and glassy (and spatially chaotic behavior) may be found in strongly correlated electronic systems.

Nucleotide exchange and excision technology DNA shuffling and directed evolution.

PubMed

Speck, Janina; Stebel, Sabine C; Arndt, Katja M; Müller, Kristian M

2011-01-01

Remarkable success in optimizing complex properties within DNA and proteins has been achieved by directed evolution. In contrast to various random mutagenesis methods and high-throughput selection methods, the number of available DNA shuffling procedures is limited, and protocols are often difficult to adjust. The strength of the nucleotide exchange and excision technology (NExT) DNA shuffling described here is the robust, efficient, and easily controllable DNA fragmentation step based on random incorporation of the so-called 'exchange nucleotides' by PCR. The exchange nucleotides are removed enzymatically, followed by chemical cleavage of the DNA backbone. The oligonucleotide pool is reassembled into full-length genes by internal primer extension, and the recombined gene library is amplified by standard PCR. The technique has been demonstrated by shuffling a defined gene library of chloramphenicol acetyltransferase variants using uridine as fragmentation defining exchange nucleotide. Substituting 33% of the dTTP with dUTP in the incorporation PCR resulted in shuffled clones with an average parental fragment size of 86 bases and revealed a mutation rate of only 0.1%. Additionally, a computer program (NExTProg) has been developed that predicts the fragment size distribution depending on the relative amount of the exchange nucleotide.

Study on Fins' Effect of Boiling Flow in Millimeter Channel Heat Exchanger

NASA Astrophysics Data System (ADS)

Watanabe, Satoshi

2005-11-01

Recently, a lot of researches about compact heat exchangers with mini-channels have been carried out with the hope of obtaining a high-efficiency heat transfer, due to the higher ratio of surface area than existing heat exchangers. However, there are many uncertain phenomena in fields such as boiling flow in mini-channels. Thus, in order to understand the boiling flow in mini-channels to design high-efficiency heat exchangers, this work focused on the visualization measurement of boiling flow in a millimeter channel. A transparent acrylic channel (heat exchanger form), high-speed camera (2000 fps at 1024 x 1024 pixels), and halogen lamp (backup light) were used as the visualization system. The channel's depth is 2 mm, width is 30 mm, and length is 400 mm. In preparation for commercial use, two types of channels were experimented on: a fins type and a normal slit type (without fins). The fins are circular cylindrical obstacles (diameter is 5 mm) to promote heat transfer, set in a triangular array (distance between each center point is 10 mm). Especially in this work, boiling flow and heat transfer promotion in the millimeter channel heat exchanger with fins was evaluated using a high-speed camera.

Interparticle spacing and structural ordering in superlattice PbS nanocrystal solids undergoing ligand exchange

DOE PAGES

Weidman, Mark C.; Yager, Kevin G.; Tisdale, William A.

2014-12-12

Controlling the interparticle spacing in quantum dot (QD) thin films is the most readily accessible way to control transport rates between neighboring QDs and a critical component of device optimization. Here, we use X-ray scattering measurements to accurately measure the interparticle spacing in films of highly monodisperse lead sulfide (PbS) QDs that have undergone a variety of device-relevant ligand exchanges. We tabulate these values for use in simulations and data analysis. We find that monothiol and dithiol ligand species typically result in interparticle spacing values that are equal to the length of a single monothiol or dithiol ligand. Additionally, wemore » find that spin-coating a thick film of QDs followed by a long-duration ligand exchange results in a more complete ligand exchange than spin-coating many thin layers with short-duration ligand exchanges in between. The former method also preserves a remarkable degree of the long-range ordering that was present in the film prior to ligand exchange. These results shed light on ways to produce highly-ordered QD solids with compact and functional ligands, which could lead to enhanced interdot coupling and transport phenomena.« less

Evaluating the reliability of the stream tracer approach to characterize stream-subsurface water exchange

USGS Publications Warehouse

Harvey, Judson W.; Wagner, Brian J.; Bencala, Kenneth E.

1996-01-01

Stream water was locally recharged into shallow groundwater flow paths that returned to the stream (hyporheic exchange) in St. Kevin Gulch, a Rocky Mountain stream in Colorado contaminated by acid mine drainage. Two approaches were used to characterize hyporheic exchange: sub-reach-scale measurement of hydraulic heads and hydraulic conductivity to compute streambed fluxes (hydrometric approach) and reachscale modeling of in-stream solute tracer injections to determine characteristic length and timescales of exchange with storage zones (stream tracer approach). Subsurface data were the standard of comparison used to evaluate the reliability of the stream tracer approach to characterize hyporheic exchange. The reach-averaged hyporheic exchange flux (1.5 mL s−1 m−1), determined by hydrometric methods, was largest when stream base flow was low (10 L s−1); hyporheic exchange persisted when base flow was 10-fold higher, decreasing by approximately 30%. Reliability of the stream tracer approach to detect hyporheic exchange was assessed using first-order uncertainty analysis that considered model parameter sensitivity. The stream tracer approach did not reliably characterize hyporheic exchange at high base flow: the model was apparently more sensitive to exchange with surface water storage zones than with the hyporheic zone. At low base flow the stream tracer approach reliably characterized exchange between the stream and gravel streambed (timescale of hours) but was relatively insensitive to slower exchange with deeper alluvium (timescale of tens of hours) that was detected by subsurface measurements. The stream tracer approach was therefore not equally sensitive to all timescales of hyporheic exchange. We conclude that while the stream tracer approach is an efficient means to characterize surface-subsurface exchange, future studies will need to more routinely consider decreasing sensitivities of tracer methods at higher base flow and a potential bias toward characterizing only a fast component of hyporheic exchange. Stream tracer models with multiple rate constants to consider both fast exchange with streambed gravel and slower exchange with deeper alluvium appear to be warranted.

A hydrogeomorphic river network model predicts where and why hyporheic exchange is important in large basins

USGS Publications Warehouse

Gomez-Velez, Jesus D.; Harvey, Judson

2014-01-01

Hyporheic exchange has been hypothesized to have basin-scale consequences; however, predictions throughout river networks are limited by available geomorphic and hydrogeologic data and by models that can analyze and aggregate hyporheic exchange flows across large spatial scales. We developed a parsimonious but physically based model of hyporheic flow for application in large river basins: Networks with EXchange and Subsurface Storage (NEXSS). We applied NEXSS across a broad range of geomorphic diversity in river reaches and synthetic river networks. NEXSS demonstrates that vertical exchange beneath submerged bed forms rather than lateral exchange through meanders dominates hyporheic fluxes and turnover rates along river corridors. Per kilometer, low-order streams have a biogeochemical potential at least 2 orders of magnitude larger than higher-order streams. However, when biogeochemical potential is examined per average length of each stream order, low- and high-order streams were often found to be comparable. As a result, the hyporheic zone's intrinsic potential for biogeochemical transformations is comparable across different stream orders, but the greater river miles and larger total streambed area of lower order streams result in the highest cumulative impact from low-order streams. Lateral exchange through meander banks may be important in some cases but generally only in large rivers.

A hydrogeomorphic river network model predicts where and why hyporheic exchange is important in large basins

NASA Astrophysics Data System (ADS)

Gomez-Velez, Jesus D.; Harvey, Judson W.

2014-09-01

Hyporheic exchange has been hypothesized to have basin-scale consequences; however, predictions throughout river networks are limited by available geomorphic and hydrogeologic data and by models that can analyze and aggregate hyporheic exchange flows across large spatial scales. We developed a parsimonious but physically based model of hyporheic flow for application in large river basins: Networks with EXchange and Subsurface Storage (NEXSS). We applied NEXSS across a broad range of geomorphic diversity in river reaches and synthetic river networks. NEXSS demonstrates that vertical exchange beneath submerged bed forms rather than lateral exchange through meanders dominates hyporheic fluxes and turnover rates along river corridors. Per kilometer, low-order streams have a biogeochemical potential at least 2 orders of magnitude larger than higher-order streams. However, when biogeochemical potential is examined per average length of each stream order, low- and high-order streams were often found to be comparable. As a result, the hyporheic zone's intrinsic potential for biogeochemical transformations is comparable across different stream orders, but the greater river miles and larger total streambed area of lower order streams result in the highest cumulative impact from low-order streams. Lateral exchange through meander banks may be important in some cases but generally only in large rivers.

Collectivism and individualism in Latino recovery homes.

PubMed

Jason, Leonard A; Luna, Roberto D; Alvarez, Josefina; Stevens, Ed

2016-04-26

Research indicates that Latinos underutilize substance abuse interventions; cultural variables may contribute to difficulties accessing and completing treatment for this group. As a result, there is a need to understand the role of cultural constructs in treatment outcomes. The purpose of this study was to investigate how levels of collectivism (COL) and individualism (IND) relate to length of stay and relapse outcomes in self-run recovery homes. We compared Latinos in several culturally modified recovery Oxford Houses to Latinos in traditional recovery Oxford Houses. By examining COL and IND in the OH model, we explored whether aspects of COL and IND led to longer lengths of stay and better substance use outcomes. We hypothesized that higher levels of COL would predict longer stays in an Oxford House and less relapse. COL did not have a main effect on length of stay. However, COL had a significant interaction effect with house type such that COL was positively correlated with length of stay in traditional houses and negatively correlated with length of stay in the culturally modified condition; that is, those with higher collectivism tended to stay longer in traditional houses. When we investigated COL, length of stay, and substance use, COL was negatively correlated with relapse in the culturally modified houses and positively correlated with relapse in the traditional houses. In other words, those with higher COL spent less time and had less relapse in the culturally modified compared to the traditional Oxford Houses. The implications of these findings are discussed.

Pairing versus quarteting coherence length

NASA Astrophysics Data System (ADS)

Delion, D. S.; Baran, V. V.

2015-02-01

We systematically analyze the coherence length in even-even nuclei. The pairing coherence length in the spin-singlet channel for the effective density-dependent delta (DDD) and Gaussian interaction is estimated. We consider in our calculations bound states as well as narrow resonances. It turns out that the pairing gaps given by the DDD interaction are similar to those of the Gaussian potential if one renormalizes the radial width to the nuclear radius. The correlations induced by the pairing interaction have, in all considered cases, a long-range character inside the nucleus and a decrease towards the surface. The mean coherence length is larger than the geometrical radius for light nuclei and approaches this value for heavy nuclei. The effect of the temperature and states in the continuum is investigated. Strong shell effects are put in evidence, especially for protons. We generalize this concept to quartets by considering similar relations, but between proton and neutron pairs. The quartet coherence length has a similar shape, but with larger values on the nuclear surface. We provide evidence of the important role of proton-neutron correlations by estimating the so-called alpha coherence length, which takes into account the overlap with the proton-neutron part of the α -particle wave function. It turns out that it does not depend on the nuclear size and has a value comparable to the free α -particle radius. We have shown that pairing correlations are mainly concentrated inside the nucleus, while quarteting correlations are connected to the nuclear surface.

Quantification of sweat gland volume and innervation in neuropathy: Correlation with thermoregulatory sweat testing.

PubMed

Loavenbruck, Adam; Wendelschaefer-Crabbe, Gwen; Sandroni, Paola; Kennedy, William R

2014-10-01

No study has correlated thermoregulatory sweat testing (TST) with histopathologic study of sweat glands (SGs) and SG nerve fibers (SGNFs). We studied 10 neuropathy patients in whom anhidrosis was found by TST and 10 matched controls. Skin biopsies were taken from both anhidrotic and sweating skin and immunohistochemical staining was done for nerves and basement membrane. For each biopsy, total tissue volume, total SG volume, and total SGNF length were measured. SGNF length per biopsy volume, SG volume per biopsy volume (SG%), and SGNF length per SG volume were calculated. SGNF length per biopsy volume was reduced in anhidrotic site biopsies of patients compared with controls. SG% was decreased and SGNF length per SG volume increased in patients compared with controls. The results suggest a concomitant loss of SG volume and SGNF length in neuropathy, with greater loss of SGNFs in anhidrotic skin, possibly exceeding collateral reinnervation. Copyright © 2014 Wiley Periodicals, Inc.

Convergence behavior of the random phase approximation renormalized correlation energy

NASA Astrophysics Data System (ADS)

Bates, Jefferson E.; Sensenig, Jonathon; Ruzsinszky, Adrienn

2017-05-01

Based on the random phase approximation (RPA), RPA renormalization [J. E. Bates and F. Furche, J. Chem. Phys. 139, 171103 (2013), 10.1063/1.4827254] is a robust many-body perturbation theory that works for molecules and materials because it does not diverge as the Kohn-Sham gap approaches zero. Additionally, RPA renormalization enables the simultaneous calculation of RPA and beyond-RPA correlation energies since the total correlation energy is the sum of a series of independent contributions. The first-order approximation (RPAr1) yields the dominant beyond-RPA contribution to the correlation energy for a given exchange-correlation kernel, but systematically underestimates the total beyond-RPA correction. For both the homogeneous electron gas model and real systems, we demonstrate numerically that RPA renormalization beyond first order converges monotonically to the infinite-order beyond-RPA correlation energy for several model exchange-correlation kernels and that the rate of convergence is principally determined by the choice of the kernel and spin polarization of the ground state. The monotonic convergence is rationalized from an analysis of the RPA renormalized correlation energy corrections, assuming the exchange-correlation kernel and response functions satisfy some reasonable conditions. For spin-unpolarized atoms, molecules, and bulk solids, we find that RPA renormalization is typically converged to 1 meV error or less by fourth order regardless of the band gap or dimensionality. Most spin-polarized systems converge at a slightly slower rate, with errors on the order of 10 meV at fourth order and typically requiring up to sixth order to reach 1 meV error or less. Slowest to converge, however, open-shell atoms present the most challenging case and require many higher orders to converge.

Water Velocity as a Driver of Stream Metabolism: a Parallel Application of the Open Water and Eddy Correlation Techniques

NASA Astrophysics Data System (ADS)

Koopmans, D.; Berg, P.

2013-12-01

Inland waters respire or store a large portion of net terrestrial ecosystem production. As a result their metabolism is significant to the global carbon budget. The proximal drivers of aquatic respiration are organic matter availability, temperature, nutrients, and water velocity. Among these water velocity may be the least quantified. A partial explanation is that the footprint of the open water technique is typically hundreds of meters of river length, while the effect of a change in velocity may be specific to a local benthic environment, e.g., a riffle. With the eddy correlation technique oxygen flux is calculated from the turbulent fluctuation of vertical velocity and the oxygen concentration at a point in the water column. The footprint of the technique scales with the height of the point of measurement allowing an investigation of the in situ oxygen flux at the scale of a riffle. The combination of techniques, then, can be used to investigate the coupling of hydrodynamic conditions and benthic environments in driving aquatic ecosystem metabolism. This parallel approach was applied seasonally to examine the drivers of metabolism in a nutrient-rich, sand-bed coastal stream on the Eastern Shore of Virginia. An ecosystem-scale oxygen flux was calculated with the open water technique while pool-, run-, riffle-, and freshwater tidal-scale oxygen fluxes were calculated with the eddy correlation technique. At the ecosystem scale the stream bed functioned as an effective biocatalytic filter with an average annual net oxygen consumption of 300 mmol m^-2 d^-1. Prior to a stage-discharge shift water velocity explained 90% of the variance in ecosystem respiration (n = 63 days). After the stage-discharge shift water velocity explained 96 % of it (n = 40 days). Hyporheic exchange supported respiration in this system, contributing to its close correlation with water velocity. Among the physically similar benthic environments of the run, riffle, and freshwater tidal sites, however, similar water velocities generated order of magnitude differences in oxygen flux. The smallest oxygen fluxes were observed at the tidal site followed by the riffle and pool. The patterns were consistent with the site-specific suppression of hyporheic exchange by pore water clogging. An uneven distribution of sediment organic matter may also contribute. These results demonstrate that ecosystem metabolism in this stream is hydrodynamically controlled and suggest mechanisms by which that control may be undermined. Oxygen flux measured at a stream riffle with the eddy correlation technique.

Electronic Zero-Point Oscillations in the Strong-Interaction Limit of Density Functional Theory.

PubMed

Gori-Giorgi, Paola; Vignale, Giovanni; Seidl, Michael

2009-04-14

The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron Hamiltonian, this same operator is multiplied by a real parameter λ varying between 0 (Kohn-Sham system) and 1 (physical system). In this process, usually called adiabatic connection, the one-electron density is kept fixed by a suitable local one-body potential. The strong-interaction limit of density functional theory, defined as the limit λ→∞, turns out to be like the opposite noninteracting Kohn-Sham limit (λ→0) mathematically simpler than the physical (λ = 1) case and can be used to build an approximate interpolation formula between λ→0 and λ→∞ for the exchange-correlation energy. Here we extend the systematic treatment of the λ→∞ limit [Phys. Rev. A 2007, 75, 042511] to the next leading term, describing zero-point oscillations of strictly correlated electrons, with numerical examples for small spherical atoms. We also propose an improved approximate functional for the zero-point term and a revised interpolation formula for the exchange-correlation energy satisfying more exact constraints.

Relationship between axial length of the emmetropic eye and the age, body height, and body weight of schoolchildren.

PubMed

Selović, Alen; Juresa, Vesna; Ivankovic, Davor; Malcic, Davor; Selović Bobonj, Gordana

2005-01-01

This report assesses the relationship of axial length of emmetropic (without refractive error) eyes to age, height, and weight in 1,600 Croatian schoolchildren. Axial eye lengths were determined by an ultrasonic eye biometry (A scan). Axial length of both eyes increases with age, height, and weight but shows a closer correlation to height and weight than to age. Boys have a significantly longer axial eye length than girls (P < 0.01). Boys or girls of similar or nearing body height and body weight and with emmetropic eyes have close linear measures of anatomic eye structures within their sex, regardless their age. Body height demonstrates the closest correlation to the growth and development of the emmetropic eye. Copyright 2005 Wiley-Liss, Inc.

Novel Approaches to Spectral Properties of Correlated Electron Materials: From Generalized Kohn-Sham Theory to Screened Exchange Dynamical Mean Field Theory

NASA Astrophysics Data System (ADS)

Delange, Pascal; Backes, Steffen; van Roekeghem, Ambroise; Pourovskii, Leonid; Jiang, Hong; Biermann, Silke

2018-04-01

The most intriguing properties of emergent materials are typically consequences of highly correlated quantum states of their electronic degrees of freedom. Describing those materials from first principles remains a challenge for modern condensed matter theory. Here, we review, apply and discuss novel approaches to spectral properties of correlated electron materials, assessing current day predictive capabilities of electronic structure calculations. In particular, we focus on the recent Screened Exchange Dynamical Mean-Field Theory scheme and its relation to generalized Kohn-Sham Theory. These concepts are illustrated on the transition metal pnictide BaCo2As2 and elemental zinc and cadmium.

Fractional distribution of thallium in paddy soil and its bioavailability to rice.

PubMed

Huang, Xuexia; Li, Ning; Wu, Qihang; Long, Jianyou; Luo, Dinggui; Huang, Xiaowu; Li, Dongmei; Zhao, Dongye

2018-02-01

To investigate the bioavailability of thallium (Tl) in soil and rice in a Tl-contaminated area in Guangdong, China, the topsoil and rice samples were collected from 24 sampling sites and analyzed. Moreover, a modified sequential extraction procedure was applied to determine the different Tl fractions in the soil. The mean pH value of the soil samples was 4.50. The total Tl concentration in the paddy soil was about 4-8 times higher than the Canadian guideline value (1mgkg -1 ) for agricultural land uses. The mean ecological risk index of Tl was determined to be 483, indicating that potential hazard of the paddy soil was serious. The mean content of Tl in rice was 1.42mgkg -1 , which exceeded the German maximum permissible level (0.5mgkg -1 ) of Tl in foods and feedstuffs by a factor of nearly 3. The hazard quotient value via rice intake was 57.6, indicating a high potential health risk to the local residents. The distribution of various Tl fractions followed the order of easily reducible fraction (40.3%) > acid exchangeable fraction (30.5%) > residual fraction (23.8%) > oxidizable fraction (5.4%). Correlation analyses showed that the easily reducible fraction correlates positively with the soil Fe and Mn contents, whereas the acid exchangeable fraction is significantly correlated with the S content. The soil pH was negatively correlated with the Tl content in both soil and rice. The Tl content in rice was more strongly correlated with the exchangeable fraction than the total Tl content in the soil. Overall, the bioavailability of Tl in more acidic soil is higher, and is strongly dependent on the speciation of Tl, especially the content of acid exchangeable fraction. Copyright © 2017 Elsevier Inc. All rights reserved.

Finger length ratio (2D:4D) correlates with physical aggression in men but not in women.

PubMed

Bailey, Allison A; Hurd, Peter L

2005-03-01

Finger length ratio (2D:4D) is a sexually dimorphic trait. Men have relatively shorter second digits (index fingers) than fourth digits (ring fingers). Smaller, more masculine, digit ratios are thought to be associated with either higher prenatal testosterone levels or greater sensitivity to androgens, or both. Men with more masculine finger ratios are perceived as being more masculine and dominant by female observers, and tend to perform better in a number of physical sports. We hypothesized that digit ratio would correlate with propensity to engage in aggressive behavior. We examined the relationship between trait aggression, assayed using a questionnaire, and finger length ratio in both men and women. Men with lower, more masculine, finger length ratios had higher trait physical aggression scores (r(partial) = -0.21, N = 134, P = 0.028). We found no correlation between finger length ratio and any form of aggression in females. These results are consistent with the hypothesis that testosterone has an organizational effect on adult physical aggression in men.

3d-4f magnetic interaction with density functional theory plus u approach: local Coulomb correlation and exchange pathways.

PubMed

Zhang, Yachao; Yang, Yang; Jiang, Hong

2013-12-12

The 3d-4f exchange interaction plays an important role in many lanthanide based molecular magnetic materials such as single-molecule magnets and magnetic refrigerants. In this work, we study the 3d-4f magnetic exchange interactions in a series of Cu(II)-Gd(III) (3d(9)-4f(7)) dinuclear complexes based on the numerical atomic basis-norm-conserving pseudopotential method and density functional theory plus the Hubbard U correction approach (DFT+U). We obtain improved description of the 4f electrons by including the semicore 5s5p states in the valence part of the Gd-pseudopotential. The Hubbard U correction is employed to treat the strongly correlated Cu-3d and Gd-4f electrons, which significantly improve the agreement of the predicted exchange constants, J, with experiment, indicating the importance of accurate description of the local Coulomb correlation. The high efficiency of the DFT+U approach enables us to perform calculations with molecular crystals, which in general improve the agreement between theory and experiment, achieving a mean absolute error smaller than 2 cm(-1). In addition, through analyzing the physical effects of U, we identify two magnetic exchange pathways. One is ferromagnetic and involves an interaction between the Cu-3d, O-2p (bridge ligand), and the majority-spin Gd-5d orbitals. The other one is antiferromagnetic and involves Cu-3d, O-2p, and the empty minority-spin Gd-4f orbitals, which is suppressed by the planar Cu-O-O-Gd structure. This study demonstrates the accuracy of the DFT+U method for evaluating the 3d-4f exchange interactions, provides a better understanding of the exchange mechanism in the Cu(II)-Gd(III) complexes, and paves the way for exploiting the magnetic properties of the 3d-4f compounds containing lanthanides other than Gd.

Photolithography and Fluorescence Correlation Spectroscopy used to examine the rates of exchange in reverse micelle systems

NASA Astrophysics Data System (ADS)

Norris, Zach; Mawson, Cara; Johnson, Kyron; Kessler, Sarah; Rebecca, Anne; Wolf, Nathan; Lim, Michael; Nucci, Nathaniel

Reverse micelles are molecular complexes that encapsulate a nanoscale pool of water in a surfactant shell dissolved in non-polar solvent. These complexes have a wide range of applications, and in all cases, the degree to which reverse micelles (RM) exchange their contents is relevant for their use. Despite its importance, this aspect of RM behavior is poorly understood. Photolithography is employed here to create micro and nano scale fluidic systems in which mixing rates can be precisely measured using fluorescence correlation spectroscopy (FCS). Micro-channel patterns are etched using reactive ion etching process into a layer of silicon dioxide on crystalline silicon substrates. Solutions containing mixtures of reverse micelles, proteins, and fluorophores are placed into reservoirs in the patterns, while diffusion and exchange between RMs is monitored using a FCS system built from a modified confocal Raman spectrometer. Using this approach, the diffusion and exchange rates for RM systems are measured as a function of the components of the RM mixture. Funding provided by Rowan University.

Correlational and thermodynamic properties of finite-temperature electron liquids in the hypernetted-chain approximation.

PubMed

Tanaka, Shigenori

2016-12-07

Correlational and thermodynamic properties of homogeneous electron liquids at finite temperatures are theoretically analyzed in terms of dielectric response formalism with the hypernetted-chain (HNC) approximation and its modified version. The static structure factor and the local-field correction to describe the strong Coulomb-coupling effects beyond the random-phase approximation are self-consistently calculated through solution to integral equations in the paramagnetic (spin unpolarized) and ferromagnetic (spin polarized) states. In the ground state with the normalized temperature θ=0, the present HNC scheme well reproduces the exchange-correlation energies obtained by quantum Monte Carlo (QMC) simulations over the whole fluid phase (the coupling constant r s ≤100), i.e., within 1% and 2% deviations from putative best QMC values in the paramagnetic and ferromagnetic states, respectively. As compared with earlier studies based on the Singwi-Tosi-Land-Sjölander and modified convolution approximations, some improvements on the correlation energies and the correlation functions including the compressibility sum rule are found in the intermediate to strong coupling regimes. When applied to the electron fluids at intermediate Fermi degeneracies (θ≈1), the static structure factors calculated in the HNC scheme show good agreements with the results obtained by the path integral Monte Carlo (PIMC) simulation, while a small negative region in the radial distribution function is observed near the origin, which may be associated with a slight overestimation for the exchange-correlation hole in the HNC approximation. The interaction energies are calculated for various combinations of density and temperature parameters ranging from strong to weak degeneracy and from weak to strong coupling, and the HNC values are then parametrized as functions of r s and θ. The HNC exchange-correlation free energies obtained through the coupling-constant integration show reasonable agreements with earlier results including the PIMC-based fitting over the whole fluid region at finite degeneracies in the paramagnetic state. In contrast, a systematic difference between the HNC and PIMC results is observed in the ferromagnetic state, which suggests a necessity of further studies on the exchange-correlation free energies from both aspects of analytical theory and simulation.

Time-dependent density functional theory beyond Kohn-Sham Slater determinants.

PubMed

Fuks, Johanna I; Nielsen, Søren E B; Ruggenthaler, Michael; Maitra, Neepa T

2016-08-03

When running time-dependent density functional theory (TDDFT) calculations for real-time simulations of non-equilibrium dynamics, the user has a choice of initial Kohn-Sham state, and typically a Slater determinant is used. We explore the impact of this choice on the exchange-correlation potential when the physical system begins in a 50 : 50 superposition of the ground and first-excited state of the system. We investigate the possibility of judiciously choosing a Kohn-Sham initial state that minimizes errors when adiabatic functionals are used. We find that if the Kohn-Sham state is chosen to have a configuration matching the one that dominates the interacting state, this can be achieved for a finite time duration for some but not all such choices. When the Kohn-Sham system does not begin in a Slater determinant, we further argue that the conventional splitting of the exchange-correlation potential into exchange and correlation parts has limited value, and instead propose a decomposition into a "single-particle" contribution that we denote v, and a remainder. The single-particle contribution can be readily computed as an explicit orbital-functional, reduces to exchange in the Slater determinant case, and offers an alternative to the adiabatic approximation as a starting point for TDDFT approximations.

Midupper arm circumference and weight-for-length z scores have different associations with body composition: evidence from a cohort of Ethiopian infants.

PubMed

Grijalva-Eternod, Carlos S; Wells, Jonathan C K; Girma, Tsinuel; Kæstel, Pernille; Admassu, Bitiya; Friis, Henrik; Andersen, Gregers S

2015-09-01

A midupper arm circumference (MUAC) <115 mm and weight-for-height z score (WHZ) or weight-for-length z score (WLZ) less than -3, all of which are recommended to identify severe wasting in children, often identify different children. The reasons behind this poor agreement are not well understood. We investigated the association between these 2 anthropometric indexes and body composition to help understand why they identify different children as wasted. We analyzed weight, length, MUAC, fat-mass (FM), and fat-free mass (FFM) data from 2470 measurements from 595 healthy Ethiopian infants obtained at birth and at 1.5, 2.5, 3.5, 4.5, and 6 mo of age. We derived WLZs by using 2006 WHO growth standards. We derived length-adjusted FM and FFM values as unexplained residuals after regressing each FM and FFM against length. We used a correlation analysis to assess associations between length, FFM, and FM (adjusted and nonadjusted for length) and the MUAC and WLZ and a multivariable regression analysis to assess the independent variability of length and length-adjusted FM and FFM with either the MUAC or the WLZ as the outcome. At all ages, length showed consistently strong positive correlations with the MUAC but not with the WLZ. Adjustment for length reduced observed correlation coefficients of FM and FFM with the MUAC but increased those for the WLZ. At all ages, both length-adjusted FM and FFM showed an independent association with the WLZ and MUAC with higher regression coefficients for the WLZ. Conversely, length showed greater regression coefficients for the MUAC. At all ages, the MUAC was shown to be more influenced than was the WLZ by the FM variability relative to the FFM variability. The MUAC and WLZ have different associations with body composition, and length influences these associations differently. Our results suggest that the WLZ is a good marker of tissue masses independent of length. The MUAC acts more as a composite index of poor growth indexing jointly tissue masses and length. This trial was registered at www.controlled-trials.com as ISRCTN46718296. © 2015 American Society for Nutrition.

Coordination of leaf structure and gas exchange along a height gradient in a tall conifer.

PubMed

Woodruff, D R; Meinzer, F C; Lachenbruch, B; Johnson, D M

2009-02-01

The gravitational component of water potential and frictional resistance during transpiration lead to substantial reductions in leaf water potential (Psi(l)) near the tops of tall trees, which can influence both leaf growth and physiology. We examined the relationships between morphological features and gas exchange in foliage collected near the tops of Douglas-fir (Pseudotsuga menziesii (Mirb.) Franco) trees of different height classes ranging from 5 to 55 m. This sampling allowed us to investigate the effects of tree height on leaf structural characteristics in the absence of potentially confounding factors such as irradiance, temperature, relative humidity and branch length. The use of cut foliage for measurement of intrinsic gas-exchange characteristics allowed identification of height-related trends without the immediate influences of path length and gravity. Stomatal density, needle length, needle width and needle area declined with increasing tree height by 0.70 mm(-2) m(-1), 0.20 mm m(-1), 5.9 x 10(-3) mm m(-1) and 0.012 mm(2) m(-1), respectively. Needle thickness and mesophyll thickness increased with tree height by 4.8 x 10(-2) mm m(-1) and 0.74 microm m(-1), respectively. Mesophyll conductance (g(m)) and CO(2) assimilation in ambient [CO(2)] (A(amb)) decreased by 1.1 mmol m(-2) s(-1) per m and 0.082 micromol m(-2) s(-1) per m increase in height, respectively. Mean reductions in g(m) and A(amb) of foliage from 5 to 55 m were 47% and 42%, respectively. The observed trend in A(amb) was associated with g(m) and several leaf anatomic characteristics that are likely to be determined by the prevailing vertical tension gradient during foliar development. A linear increase in foliar delta(13)C values with height (0.042 per thousand m(-1)) implied that relative stomatal and mesophyll limitations of photosynthesis in intact shoots increased with height. These data suggest that increasing height leads to both fixed structural constraints on leaf gas exchange and dynamic constraints related to prevailing stomatal behavior.

Nonlocal gradient corrections to the exchange free energy of an inhomogeneous many-fermion system at finite temperature

NASA Astrophysics Data System (ADS)

Geldart, D. J. W.; Dunlap, E.; Glasser, M. L.; Shegelski, Mark R. A.

1993-10-01

A general exact result is derived for the coefficient B x( n; T) which determines the first gradient correction to the leading exchange contribution to the free energy at finite temperature of a weakly inhomogeneous extended many fermion system having arbitrary two-body interactions. Explicit analytical results are given in the case of bare Coulomb interactions, and the case of statically screened Coulomb interactions is studied numerically. It is shown that nonanalytical structure leads to different limiting values of B x( n; T) when the inverse screening length and the temperature are both small. Some implications for physical many-electron systems are discussed, including the reasons for discrepancies between the first principles and semiempirical gradient coefficients for atomic exchange energies.

Porous media flux sensitivity to pore-scale geostatistics: A bottom-up approach

NASA Astrophysics Data System (ADS)

Di Palma, P. R.; Guyennon, N.; Heße, F.; Romano, E.

2017-04-01

Macroscopic properties of flow through porous media can be directly computed by solving the Navier-Stokes equations at the scales related to the actual flow processes, while considering the porous structures in an explicit way. The aim of this paper is to investigate the effects of the pore-scale spatial distribution on seepage velocity through numerical simulations of 3D fluid flow performed by the lattice Boltzmann method. To this end, we generate multiple random Gaussian fields whose spatial correlation follows an assigned semi-variogram function. The Exponential and Gaussian semi-variograms are chosen as extreme-cases of correlation for short distances and statistical properties of the resulting porous media (indicator field) are described using the Matèrn covariance model, with characteristic lengths of spatial autocorrelation (pore size) varying from 2% to 13% of the linear domain. To consider the sensitivity of the modeling results to the geostatistical representativeness of the domain as well as to the adopted resolution, porous media have been generated repetitively with re-initialized random seeds and three different resolutions have been tested for each resulting realization. The main difference among results is observed between the two adopted semi-variograms, indicating that the roughness (short distances autocorrelation) is the property mainly affecting the flux. However, computed seepage velocities show additionally a wide variability (about three orders of magnitude) for each semi-variogram model in relation to the assigned correlation length, corresponding to pore sizes. The spatial resolution affects more the results for short correlation lengths (i.e., small pore sizes), resulting in an increasing underestimation of the seepage velocity with the decreasing correlation length. On the other hand, results show an increasing uncertainty as the correlation length approaches the domain size.

Within-Event and Between-Events Ground Motion Variability from Earthquake Rupture Scenarios

NASA Astrophysics Data System (ADS)

Crempien, Jorge G. F.; Archuleta, Ralph J.

2017-09-01

Measurement of ground motion variability is essential to estimate seismic hazard. Over-estimation of variability can lead to extremely high annual hazard estimates of ground motion exceedance. We explore different parameters that affect the variability of ground motion such as the spatial correlations of kinematic rupture parameters on a finite fault and the corner frequency of the moment-rate spectra. To quantify the variability of ground motion, we simulate kinematic rupture scenarios on several vertical strike-slip faults and compute ground motion using the representation theorem. In particular, for the entire suite of rupture scenarios, we quantify the within-event and the between-events ground motion variability of peak ground acceleration (PGA) and response spectra at several periods, at 40 stations—all approximately at an equal distance of 20 and 50 km from the fault. Both within-event and between-events ground motion variability increase when the slip correlation length on the fault increases. The probability density functions of ground motion tend to truncate at a finite value when the correlation length of slip decreases on the fault, therefore, we do not observe any long-tail distribution of peak ground acceleration when performing several rupture simulations for small correlation lengths. Finally, for a correlation length of 6 km, the within-event and between-events PGA log-normal standard deviations are 0.58 and 0.19, respectively, values slightly smaller than those reported by Boore et al. (Earthq Spectra, 30(3):1057-1085, 2014). The between-events standard deviation is consistently smaller than the within-event for all correlations lengths, a feature that agrees with recent ground motion prediction equations.

Interocular symmetry in macular choroidal thickness in children.

PubMed

Al-Haddad, Christiane; El Chaar, Lama; Antonios, Rafic; El-Dairi, Mays; Noureddin, Baha'

2014-01-01

Objective. To report interocular differences in choroidal thickness in children using spectral domain optical coherence tomography (SD-OCT) and correlate findings with biometric data. Methods. This observational cross-sectional study included 91 (182 eyes) healthy children aged 6 to 17 years with no ocular abnormality except refractive error. After a comprehensive eye exam and axial length measurement, high definition macular scans were performed using SD-OCT. Two observers manually measured the choroidal thickness at the foveal center and at 1500 µm nasally, temporally, inferiorly, and superiorly. Interocular differences were computed; correlations with age, gender, refractive error, and axial length were performed. Results. Mean age was 10.40 ± 3.17 years; mean axial length and refractive error values were similar between fellow eyes. There was excellent correlation between the two observers' measurements. No significant interocular differences were observed at any location. There was only a trend for right eyes to have higher values in all thicknesses, except the superior thickness. Most of the choroidal thickness measurements correlated positively with spherical equivalent but not with axial length, age, or gender. Conclusion. Choroidal thickness measurements in children as performed using SD-OCT revealed a high level of interobserver agreement and consistent interocular symmetry. Values correlated positively with spherical equivalent refraction.

Is the surface oxygen exchange rate linked to bulk ion diffusivity in mixed conducting Ruddlesden–Popper phases?

DOE PAGES

Tomkiewicz, Alex C.; Tamimi, Mazin A.; Huq, Ashfia; ...

2015-03-02

There is a possible link between oxygen surface exchange rate and bulk oxygen anion diffusivity in mixed ionic and electronic conducting oxides; it is a topic of great interest and debate. While a large body of experimental evidence and theoretical analyses support a link, observed differences between bulk and surface composition of these materials are hard to reconcile with this observation. This is further compounded by potential problems with simultaneous measurement of both parameters. Here we utilize separate techniques, in situ neutron diffraction and pulsed isotopic surface exchange, to examine bulk ion mobility and surface oxygen exchange rates of threemore » Ruddlesden-Popper phases, general form A n-1A 2'BnO 3n+1, A n-1A 2'BnX 3n+1; LaSrCo 0.5Fe 0.5O 4-δ (n = 1), La 0.3Sr 2.7CoFeO 7-δ (n = 2) and LaSr 3Co 1.5Fe 1.5O 10-δ (n = 3). These measurements are complemented by surface composition determination via high sensitivity-low energy ion scattering. We observe a correlation between bulk ion mobility and surface exchange rate between materials. The surface exchange rates vary by more than one order of magnitude with high anion mobility in the bulk of an oxygen vacancy-rich n = 2 Ruddlesden-Popper material correlating with rapid oxygen exchange. Furthermore this is in contrast with the similar surface exchange rates which we may expect due to similar surface compositions across all three samples. This paper conclude that experimental limitations lead to inherent convolution of surface and bulk rates, and that surface exchange steps are not likely to be rate limiting in oxygen incorporation.« less

The influence of life history trade-offs and the size of the incubation gravels on egg size variation in sockeye salmon Onchorhynchus nerka

USGS Publications Warehouse

Quinn, Thomas P.; Hendry , Andrew P.; Wetzel, Lisa A.

1995-01-01

Egg size is a critical life history trait, reflecting female investment and affecting off- spring fitness. We investigated several factors which may influence variation in egg weight for sockeye salmon (Oncorhynchus nerka). Comparisons were based on col- lections from 18 Alaskan populations, among which adult migration distance and ju- venile rearing habitat were similar but the size composition of incubation gravels was different. Among populations, most of the variation in egg weight could be explained by a positive correlation with different measures of the size composition of incubation gravels (Pearson's r = 0.45-0.91). In contrast, egg weight was poorly correlated with female body length and with female snout length, a morphological feature used during intra-sexual competition. Within each of the Alaskan populations, however, egg weight and snout length were positively correlated with female body length and hence with each other. A positive association between snout length and egg weight was still evident even after the effects of covariance with body size were removed using resid- uals analysis: for all of the fish pooled and within 6 of the 16 populations. A signifi- cant relationship was not detected in the other populations but the trend was neverthe- less positive in 8 of the other 10. Examination of reproductive traits (gonad weight, egg weight, egg number, snout length and hump size) within another population iden- tified a trade-off between egg weight and egg number for females of a given body length. In contrast, positive correlations between reproductive traits were more com- mon, suggesting that energy-rich individuals produce large eggs and large secondary sexual characteristics rather than sacrificing one for the other.

Genetic parameters for different growth scales in GIFT strain of Nile tilapia (Oreochromis niloticus).

PubMed

He, J; Gao, H; Xu, P; Yang, R

2015-12-01

Body weight, length, width and depth at two growth stages were observed for a total of 5015 individuals of GIFT strain, along with a pedigree including 5588 individuals from 104 sires and 162 dams was collected. Multivariate animal models and a random regression model were used to genetically analyse absolute and relative growth scales of these growth traits. In absolute growth scale, the observed growth traits had moderate heritabilities ranging from 0.321 to 0.576, while pairwise ratios between body length, width and depth were lowly inherited and maximum heritability was only 0.146 for length/depth. All genetic correlations were above 0.5 between pairwise growth traits and genetic correlation between length/width and length/depth varied between both growth stages. Based on those estimates, selection index of multiple traits of interest can be formulated in future breeding program to improve genetically body weight and morphology of the GIFT strain. In relative growth scale, heritabilities in relative growths of body length, width and depth to body weight were 0.257, 0.412 and 0.066, respectively, while genetic correlations among these allometry scalings were above 0.8. Genetic analysis for joint allometries of body weight to body length, width and depth will contribute to genetically regulate the growth rate between body shape and body weight. © 2015 Blackwell Verlag GmbH.

Implementation of a flow-dependent background error correlation length scale formulation in the NEMOVAR OSTIA system

NASA Astrophysics Data System (ADS)

Fiedler, Emma; Mao, Chongyuan; Good, Simon; Waters, Jennifer; Martin, Matthew

2017-04-01

OSTIA is the Met Office's Operational Sea Surface Temperature (SST) and Ice Analysis system, which produces L4 (globally complete, gridded) analyses on a daily basis. Work is currently being undertaken to replace the original OI (Optimal Interpolation) data assimilation scheme with NEMOVAR, a 3D-Var data assimilation method developed for use with the NEMO ocean model. A dual background error correlation length scale formulation is used for SST in OSTIA, as implemented in NEMOVAR. Short and long length scales are combined according to the ratio of the decomposition of the background error variances into short and long spatial correlations. The pre-defined background error variances vary spatially and seasonally, but not on shorter time-scales. If the derived length scales applied to the daily analysis are too long, SST features may be smoothed out. Therefore a flow-dependent component to determining the effective length scale has also been developed. The total horizontal gradient of the background SST field is used to identify regions where the length scale should be shortened. These methods together have led to an improvement in the resolution of SST features compared to the previous OI analysis system, without the introduction of spurious noise. This presentation will show validation results for feature resolution in OSTIA using the OI scheme, the dual length scale NEMOVAR scheme, and the flow-dependent implementation.

Small queens and big-headed workers in a monomorphic ponerine ant

NASA Astrophysics Data System (ADS)

Kikuchi, Tomonori; Miyazaki, Satoshi; Ohnishi, Hitoshi; Takahashi, Junichi; Nakajima, Yumiko; Tsuji, Kazuki

2008-10-01

Evolution of caste is a central issue in the biology of social insects. Comparative studies on their morphology so far suggest the following three patterns: (1) a positive correlation between queen worker size dimorphism and the divergence in reproductive ability between castes, (2) a negative correlation among workers between morphological diversity and reproductive ability, and (3) a positive correlation between queen worker body shape difference and the diversity in worker morphology. We conducted morphological comparisons between castes in Pachycondyla luteipes, workers of which are monomorphic and lack their reproductive ability. Although the size distribution broadly overlapped, mean head width, head length, and scape length were significantly different between queens and workers. Conversely, in eye length, petiole width, and Weber’s length, the size differences were reversed. The allometries (head length/head width, scape length/head width, and Weber’s length/head width) were also significantly different between queens and workers. Morphological examinations showed that the body shape was different between queens and workers, and the head part of workers was disproportionately larger than that of queens. This pattern of queen worker dimorphism is novel in ants with monomorphic workers and a clear exception to the last pattern. This study suggests that it is possible that the loss of individual-level selection, the lack of reproductive ability, influences morphological modification in ants.

The use of spin desalting columns in DMSO-quenched H/D-exchange NMR experiments

PubMed Central

Chandak, Mahesh S; Nakamura, Takashi; Takenaka, Toshio; Chaudhuri, Tapan K; Yagi-Utsumi, Maho; Chen, Jin; Kato, Koichi; Kuwajima, Kunihiro

2013-01-01

Dimethylsulfoxide (DMSO)-quenched hydrogen/deuterium (H/D)-exchange is a powerful method to characterize the H/D-exchange behaviors of proteins and protein assemblies, and it is potentially useful for investigating non-protected fast-exchanging amide protons in the unfolded state. However, the method has not been used for studies on fully unfolded proteins in a concentrated denaturant or protein solutions at high salt concentrations. In all of the current DMSO-quenched H/D-exchange studies of proteins so far reported, lyophilization was used to remove D2O from the protein solution, and the lyophilized protein was dissolved in the DMSO solution to quench the H/D exchange reactions and to measure the amide proton signals by two-dimensional nuclear magnetic resonance (2D NMR) spectra. The denaturants or salts remaining after lyophilization thus prevent the measurement of good NMR spectra. In this article, we report that the use of spin desalting columns is a very effective alternative to lyophilization for the medium exchange from the D2O buffer to the DMSO solution. We show that the medium exchange by a spin desalting column takes only about 10 min in contrast to an overnight length of time required for lyophilization, and that the use of spin desalting columns has made it possible to monitor the H/D-exchange behavior of a fully unfolded protein in a concentrated denaturant. We report the results of unfolded ubiquitin in 6.0M guanidinium chloride. PMID:23339068

Microtube strip heat exchanger

NASA Astrophysics Data System (ADS)

Doty, F. D.

1992-07-01

The purpose of this contract has been to explore the limits of miniaturization of heat exchangers with the goals of (1) improving the theoretical understanding of laminar heat exchangers, (2) evaluating various manufacturing difficulties, and (3) identifying major applications for the technology. A low-cost, ultra-compact heat exchanger could have an enormous impact on industry in the areas of cryocoolers and energy conversion. Compact cryocoolers based on the reverse Brayton cycle (RBC) would become practical with the availability of compact heat exchangers. Many experts believe that hardware advances in personal computer technology will rapidly slow down in four to six years unless lowcost, portable cryocoolers suitable for the desktop supercomputer can be developed. Compact refrigeration systems would permit dramatic advances in high-performance computer work stations with 'conventional' microprocessors operating at 150 K, and especially with low-cost cryocoolers below 77 K. NASA has also expressed strong interest in our MTS exchanger for space-based RBC cryocoolers for sensor cooling. We have demonstrated feasibility of higher specific conductance by a factor of five than any other work in high-temperature gas-to-gas exchangers. These laminar-flow, microtube exchangers exhibit extremely low pressure drop compared to alternative compact designs under similar conditions because of their much shorter flow length and larger total flow area for lower flow velocities. The design appears to be amenable to mass production techniques, but considerable process development remains. The reduction in materials usage and the improved heat exchanger performance promise to be of enormous significance in advanced engine designs and in cryogenics.

Random function theory revisited - Exact solutions versus the first order smoothing conjecture

NASA Technical Reports Server (NTRS)

Lerche, I.; Parker, E. N.

1975-01-01

We remark again that the mathematical conjecture known as first order smoothing or the quasi-linear approximation does not give the correct dependence on correlation length (time) in many cases, although it gives the correct limit as the correlation length (time) goes to zero. In this sense, then, the method is unreliable.

Complex transition metal hydrides: linear correlation of countercation electronegativity versus T-D bond lengths.

PubMed

Humphries, T D; Sheppard, D A; Buckley, C E

2015-06-30

For homoleptic 18-electron complex hydrides, an inverse linear correlation has been established between the T-deuterium bond length (T = Fe, Co, Ni) and the average electronegativity of the metal countercations. This relationship can be further employed towards aiding structural solutions and predicting physical properties of novel complex transition metal hydrides.

Relationship Between the Menstrual Cycle and Timing of Ovulation Revealed by New Protocols: Analysis of Data from a Self-Tracking Health App.

PubMed

Sohda, Satoshi; Suzuki, Kenta; Igari, Ichiro

2017-11-27

There are many mobile phone apps aimed at helping women map their ovulation and menstrual cycles and facilitating successful conception (or avoiding pregnancy). These apps usually ask users to input various biological features and have accumulated the menstrual cycle data of a vast number of women. The purpose of our study was to clarify how the data obtained from a self-tracking health app for female mobile phone users can be used to improve the accuracy of prediction of the date of next ovulation. Using the data of 7043 women who had reliable menstrual and ovulation records out of 8,000,000 users of a mobile phone app of a health care service, we analyzed the relationship between the menstrual cycle length, follicular phase length, and luteal phase length. Then we fitted a linear function to the relationship between the length of the menstrual cycle and timing of ovulation and compared it with the existing calendar-based methods. The correlation between the length of the menstrual cycle and the length of the follicular phase was stronger than the correlation between the length of the menstrual cycle and the length of the luteal phase, and there was a positive correlation between the lengths of past and future menstrual cycles. A strong positive correlation was also found between the mean length of past cycles and the length of the follicular phase. The correlation between the mean cycle length and the luteal phase length was also statistically significant. In most of the subjects, our method (ie, the calendar-based method based on the optimized function) outperformed the Ogino method of predicting the next ovulation date. Our method also outperformed the ovulation date prediction method that assumes the middle day of a mean menstrual cycle as the date of the next ovulation. The large number of subjects allowed us to capture the relationships between the lengths of the menstrual cycle, follicular phase, and luteal phase in more detail than previous studies. We then demonstrated how the present calendar methods could be improved by the better grouping of women. This study suggested that even without integrating various biological metrics, the dataset collected by a self-tracking app can be used to develop formulas that predict the ovulation day when the data are aggregated. Because the method that we developed requires data only on the first day of menstruation, it would be the best option for couples during the early stages of their attempt to have a baby or for those who want to avoid the cost associated with other methods. Moreover, the result will be the baseline for more advanced methods that integrate other biological metrics. ©Satoshi Sohda, Kenta Suzuki, Ichiro Igari. Originally published in the Journal of Medical Internet Research (http://www.jmir.org), 27.11.2017.

Recent developments in LIBXC - A comprehensive library of functionals for density functional theory

NASA Astrophysics Data System (ADS)

Lehtola, Susi; Steigemann, Conrad; Oliveira, Micael J. T.; Marques, Miguel A. L.

2018-01-01

LIBXC is a library of exchange-correlation functionals for density-functional theory. We are concerned with semi-local functionals (or the semi-local part of hybrid functionals), namely local-density approximations, generalized-gradient approximations, and meta-generalized-gradient approximations. Currently we include around 400 functionals for the exchange, correlation, and the kinetic energy, spanning more than 50 years of research. Moreover, LIBXC is by now used by more than 20 codes, not only from the atomic, molecular, and solid-state physics, but also from the quantum chemistry communities.

Finite size effects on the experimental observables of the Glauber model: a theoretical and experimental investigation

NASA Astrophysics Data System (ADS)

Vindigni, A.; Bogani, L.; Gatteschi, D.; Sessoli, R.; Rettori, A.; Novak, M. A.

2004-05-01

We investigate the relaxation time, τ, of a dilute Glauber kinetic Ising chain obtained by ac susceptibility and SQUID magnetometry on a Co(II)-organic radical Ising 1D ferrimagnet doped with Zn(II). Theoretically we predicted a crossover in the temperature-dependence of τ, when the average segment is of the same order of the correlation length. Comparing the experimental results with theory we conclude that in the investigted temperature range the correlation length exceeds the finite length also in the pure sample.

Pair-correlation function of a metastable helium Bose-Einstein condensate

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

Zin, Pawel; Trippenbach, Marek; Gajda, Mariusz

2004-02-01

The pair-correlation function is one of the basic quantities to characterize the coherence properties of a Bose-Einstein condensate. We calculate this function in the experimentally important case of a zero temperature Bose-Einstein condensate in a metastable triplet helium state using the variational method with a pair-excitation ansatz. We compare our result with a pair-correlation function obtained for the hard-sphere potential with the same scattering length. Both functions are practically indistinguishable for distances greater than the scattering length. At smaller distances, due to interatomic interactions, the helium condensate shows strong correlations.

On the universality of the two-point galaxy correlation function

NASA Technical Reports Server (NTRS)

Davis, Marc; Meiksin, Avery; Strauss, Michael A.; Da Costa, L. Nicolaci; Yahil, Amos

1988-01-01

The behavior of the two-point galaxy correlation function in volume-limited subsamples of three complete redshift surveys is investigated. The correlation length is shown to scale approximately as the square root of the distance limit in both the CfA and Southern Sky catalogs, but to be independent of the distance limit in the IRAS sample. This effect is found to be due to factors such as the large positive density fluctuations in the foreground of the optically selected catalogs biasing the correlation length estimate downward, and the brightest galaxies appearing to be more strongly clustered than the mean.

Verification of relationships between anthropometric variables among ureteral stents recipients and ureteric lengths: a challenge for Vitruvian-da Vinci theory.

PubMed

Acelam, Philip A

2015-01-01

To determine and verify how anthropometric variables correlate to ureteric lengths and how well statistical models approximate the actual ureteric lengths. In this work, 129 charts of endourological patients (71 females and 58 males) were studied retrospectively. Data were gathered from various research centers from North and South America. Continuous data were studied using descriptive statistics. Anthropometric variables (age, body surface area, body weight, obesity, and stature) were utilized as predictors of ureteric lengths. Linear regressions and correlations were used for studying relationships between the predictors and the outcome variables (ureteric lengths); P-value was set at 0.05. To assess how well statistical models were capable of predicting the actual ureteric lengths, percentages (or ratios of matched to mismatched results) were employed. The results of the study show that anthropometric variables do not correlate well to ureteric lengths. Statistical models can partially estimate ureteric lengths. Out of the five anthropometric variables studied, three of them: body frame, stature, and weight, each with a P<0.0001, were significant. Two of the variables: age (R (2)=0.01; P=0.20) and obesity (R (2)=0.03; P=0.06), were found to be poor estimators of ureteric lengths. None of the predictors reached the expected (match:above:below) ratio of 1:0:0 to qualify as reliable predictors of ureteric lengths. There is not sufficient evidence to conclude that anthropometric variables can reliably predict ureteric lengths. These variables appear to lack adequate specificity as they failed to reach the expected (match:above:below) ratio of 1:0:0. Consequently, selections of ureteral stents continue to remain a challenge. However, height (R (2)=0.68) with the (match:above:below) ratio of 3:3:4 appears suited for use as estimator, but on the basis of decision rule. Additional research is recommended for stent improvements and ureteric length determinations.

Verification of relationships between anthropometric variables among ureteral stents recipients and ureteric lengths: a challenge for Vitruvian-da Vinci theory

PubMed Central

Acelam, Philip A

2015-01-01

Objective To determine and verify how anthropometric variables correlate to ureteric lengths and how well statistical models approximate the actual ureteric lengths. Materials and methods In this work, 129 charts of endourological patients (71 females and 58 males) were studied retrospectively. Data were gathered from various research centers from North and South America. Continuous data were studied using descriptive statistics. Anthropometric variables (age, body surface area, body weight, obesity, and stature) were utilized as predictors of ureteric lengths. Linear regressions and correlations were used for studying relationships between the predictors and the outcome variables (ureteric lengths); P-value was set at 0.05. To assess how well statistical models were capable of predicting the actual ureteric lengths, percentages (or ratios of matched to mismatched results) were employed. Results The results of the study show that anthropometric variables do not correlate well to ureteric lengths. Statistical models can partially estimate ureteric lengths. Out of the five anthropometric variables studied, three of them: body frame, stature, and weight, each with a P<0.0001, were significant. Two of the variables: age (R2=0.01; P=0.20) and obesity (R2=0.03; P=0.06), were found to be poor estimators of ureteric lengths. None of the predictors reached the expected (match:above:below) ratio of 1:0:0 to qualify as reliable predictors of ureteric lengths. Conclusion There is not sufficient evidence to conclude that anthropometric variables can reliably predict ureteric lengths. These variables appear to lack adequate specificity as they failed to reach the expected (match:above:below) ratio of 1:0:0. Consequently, selections of ureteral stents continue to remain a challenge. However, height (R2=0.68) with the (match:above:below) ratio of 3:3:4 appears suited for use as estimator, but on the basis of decision rule. Additional research is recommended for stent improvements and ureteric length determinations. PMID:26317082

Reentrant spin-glass behavior and bipolar exchange-bias effect in "Sn" substituted cobalt-orthotitanate

NASA Astrophysics Data System (ADS)

Nayak, S.; Joshi, D. C.; Krautz, M.; Waske, A.; Eckert, J.; Thota, S.

2016-01-01

We report the co-existence of longitudinal ferrimagnetic behavior with Néel temperature TN ˜ 46.1 K and reentrant transverse spin-glass state at 44.05 K in Tin (Sn) doped cobalt-orthotitanate (Co2TiO4). The ferrimagnetic ordering is resulting from different magnetic moments of Co2+ on the A-sites (3.87 μB) and B-sites (5.069 μB). The magnetic compensation temperature (TCOMP) shifts from 31.74 K to 27.1 K when 40 at. % of "Sn4+" substitutes "Ti4+" at B-sites where the bulk-magnetization of two-sublattices balance each other. For T > TN, the dc-magnetic susceptibility (χdc = M/Hdc) fits well with the Néel's expression for the two-sublattice model with antiferromagnetic molecular field constants NBB ˜ 15.44, NAB ˜ 32.01, and NAA ˜ 20.88. The frequency dependence of ac-magnetic susceptibility χac data follows the Vogel-Fulcher law, and the power-law of critical slowing-down with "zν" = 6.01 suggests the existence of spin-clusters (where "z" and "ν" being dynamic critical-exponent and correlation length of critical-exponent, respectively). This system exhibits unusual hysteresis loops with large bipolar exchange-bias effect (HEB ˜ 13.6 kOe at 7 K) after zero-field cooling process from an un-magnetized state, and a dramatic collapse of remanence (MR) and coercive field (HC) across TCOMP. The possible origins of such anomalous characteristics were discussed.

Effect of various refining processes for Kenaf Bast non-wood pulp fibers suspensions on heat transfer coefficient in circular pipe heat exchanger

NASA Astrophysics Data System (ADS)

Ahmed, Syed Muzamil; Kazi, S. N.; Khan, Ghulamullah; Sadri, Rad; Dahari, Mahidzal; Zubir, M. N. M.; Sayuti, M.; Ahmad, Pervaiz; Ibrahim, Rushdan

2018-03-01

Heat transfer coefficients were obtained for a range of non-wood kenaf bast pulp fiber suspensions flowing through a circular pipe heat exchanger test loop. The data were produced over a selected temperature and range of flow rates from the flow loop. It was found that the magnitude of the heat transfer coefficient of a fiber suspension is dependent on characteristics, concentration and pulping method of fiber. It was observed that at low concentration and high flow rates, the heat transfer coefficient values of suspensions were observed higher than that of the heat transfer coefficient values of water, on the other hand the heat transfer coefficient values of suspensions decreases at low flow rates and with the increase of their concentration. The heat transfer were affected by varying fiber characteristics, such as fiber length, fiber flexibility, fiber chemical and mechanical treatment as well as different pulping methods used to liberate the fibers. Heat transfer coefficient was decreased with the increase of fiber flexibility which was also observed by previous researchers. In the present work, the characteristics of fibers are correlated with the heat transfer coefficient of suspensions of the fibers. Deviations in fiber properties can be monitored from the flowing fiber suspensions by measuring heat transfer coefficient to adjust the degree of fiber refining treatment so that papers made from those fibers will be more uniform, consistent, within the product specification and retard the paper production loss.

Gas exchange and the coagulation system of the blood during the effect on the body of high concentrations of oxygen and carbon dioxide

NASA Technical Reports Server (NTRS)

Palosh, L.; Agadzhanyan, N. A.; Davydov, G. A.; Rybakov, B. K.; Sergiyenko, A. S.

1974-01-01

Maximum permissible concentrations of oxygen and carbon dioxide in a controlled atmosphere were determined by evaluating their effects on human gas exchange, blood coagulation, and tolerances to acute hypoxia, acceleration, and physical loads. It was found that functional disturbances depend on the concentration of respiratory gases and the length of stay in an altered atmosphere. By changing the atmospheric composition and by bringing the gaseous environment into accordance with the work and rest regimen and energy expenditures, the general reactivity of the body changes favorably.

Unconditionally Secure Credit/Debit Card Chip Scheme and Physical Unclonable Function

NASA Astrophysics Data System (ADS)

Kish, Laszlo B.; Entesari, Kamran; Granqvist, Claes-Göran; Kwan, Chiman

The statistical-physics-based Kirchhoff-law-Johnson-noise (KLJN) key exchange offers a new and simple unclonable system for credit/debit card chip authentication and payment. The key exchange, the authentication and the communication are unconditionally secure so that neither mathematics- nor statistics-based attacks are able to crack the scheme. The ohmic connection and the short wiring lengths between the chips in the card and the terminal constitute an ideal setting for the KLJN protocol, and even its simplest versions offer unprecedented security and privacy for credit/debit card chips and applications of physical unclonable functions (PUFs).

Manual exchange transfusion for severe imported falciparum malaria: a retrospective study.

PubMed

Lin, Jinfeng; Huang, Xiaoying; Qin, Gang; Zhang, Suyan; Sun, Weiwei; Wang, Yadong; Ren, Ke; Xu, Junxian; Han, Xudong

2018-01-16

This study was designed to evaluate the efficacy of exchange transfusion in patients with severe imported falciparum malaria. Twelve patients who met the diagnostic criteria for severe malaria were treated with exchange transfusion 14 times according to a conventional anti-malarial treatment. This study evaluated the efficacy of exchange transfusion for severe imported falciparum malaria. Clinical data of severe imported falciparum malaria patients admitted to the intensive care unit (ICU) of Nantong Third People's Hospital from January 2007 to December 2016 were investigated in this retrospective study. Patients were divided into the intervention group, which received exchange transfusion, and the control group. This study assessed parasite clearance and outcomes of the two groups, and levels of erythrocytes, haemoglobin, platelets, coagulation, liver function, lactate, C-reactive protein, and procalcitonin, before and after exchange transfusion in the intervention group. There was no significant difference in the severity of admitted patients. Exchange transfusion was successfully applied 14 times in the intervention group. Differences in the levels of erythrocytes, haemoglobin and platelets did not reach statistical significance. Exchange transfusion improved coagulation, liver function, lactic acid, C-reactive protein, and procalcitonin. No differences were observed in parasite clearance, ICU and hospital length of stay, in-hospital mortality, and costs of hospitalization between the two groups. Exchange transfusion as adjunctive therapy for severe malaria was observed to be safe in this setting. Exchange transfusion can improve liver function and coagulation and reduce inflammation, but it failed to improve parasite clearance and the outcomes of severe imported falciparum malaria in this case series.

Sensitivity analysis on the performances of a closed-loop Ground Source Heat Pump

NASA Astrophysics Data System (ADS)

Casasso, Alessandro; Sethi, Rajandrea

2014-05-01

Ground Source Heat Pumps (GSHP) permit to achieve a significant reduction of greenhouse gas emissions, and the margins for economic saving of this technology are strongly correlated to the long-term sustainability of the exploitation of the heat stored in the soil. The operation of a GSHP over its lifetime should be therefore modelled considering realistic conditions, and a thorough characterization of the physical properties of the soil is essential to avoid large errors of prediction. In this work, a BHE modelling procedure with the finite-element code FEFLOW is presented. Starting from the governing equations of the heat transport in the soil around a GSHP and inside the BHE, the most important parameters are individuated and the adopted program settings are explained. A sensitivity analysis is then carried on both the design parameters of the heat exchanger, in order to understand the margins of improvement of a careful design and installation, and the physical properties of the soil, with the aim of quantifying the uncertainty induced by their variability. The relative importance of each parameter is therefore assessed by comparing the statistical distributions of the fluid temperatures and estimating the energy consumption of the heat pump, and practical conclusions are from these results about the site characterization, the design and the installation of a BHE. References Casasso A., Sethi R., 2014 Efficiency of closed loop geothermal heat pumps: A sensitivity analysis, Renewable Energy 62 (2014), pp. 737-746 Chiasson A.C., Rees S.J., Spitler J.D., 2000, A preliminary assessment of the effects of groundwater flow on closed-loop ground-source heat pump systems, ASHRAE Transactions 106 (2000), pp. 380-393 Delaleux F., Py X., Olives R., Dominguez A., 2012, Enhancement of geothermal borehole heat exchangers performances by improvement of bentonite grouts conductivity, Applied Thermal Engineering 33-34, pp. 92-99 Diao N., Li Q., Fang Z., 2004, Heat transfer in ground heat exchangers with groundwater advection, International Journal of Thermal Sciences 43, pp. 1203-1211 Michopoulos A., Kyriakis N., 2010, The influence of a vertical ground heat exchanger length on the electricity consumption of the heat pumps, Renewable Energy 35 (2010), pp. 1403-1407

Ex vivo accuracy of an apex locator using digital signal processing in primary teeth.

PubMed

Leonardo, Mário Roberto; da Silva, Lea Assed Bezerra; Nelson-Filho, Paulo; da Silva, Raquel Assed Bezerra; Lucisano, Marília Pacífico

2009-01-01

The purpose of this study was to evaluate ex vivo the accuracy an electronic apex locator during root canal length determination in primary molars. One calibrated examiner determined the root canal length in 15 primary molars (total=34 root canals) with different stages of root resorption. Root canal length was measured both visually with the placement of a K-file 1 mm short of the apical foramen or the apical resorption bevel, and electronically using an electronic apex locator (Digital Signal Processing). Data were analyzed statistically using the intraclass correlation (ICC) test. Comparing the actual and electronic root canal length measurements in the primary teeth showed a high correlation (ICC=0.95). The Digital Signal Processing apex locator is useful and accurate for apex foramen location during root canal length measurement in primary molars.

Review of mixing length estimates and effects of toroidicity in a fluid model for turbulent transport in tokamaks

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

Weiland, J., E-mail: elfjw@chalmers.se

2016-05-15

Basic aspects of turbulent transport in toroidal magnetized plasmas are discussed. In particular the fluid closure has strong effects on zonal flows which are needed to create an absorbing boundary for long wave lengths and also to obtain the Dimits nonlinear upshift. The fluid resonance in the energy equation is found to be instrumental for generating the L–H transition, the spin-up of poloidal rotation in internal transport barriers, as well as the nonlinear Dimits upshift. The difference between the linearly fastest growing mode number and the corresponding longer nonlinear correlation length is also addressed. It is found that the Kadomtsevmore » mixing length result is consistent with the non-Markovian diagonal limit of the transport at the nonlinearly obtained correlation length.« less

Abnormal Patella Height Based on Insall-Salvati Ratio and its Correlation with Patellar Cartilage Lesions: An Extremity-Dedicated Low-Field Magnetic Resonance Imaging Analysis of 1703 Chinese Cases.

PubMed

Lu, W; Yang, J; Chen, S; Zhu, Y; Zhu, C

2016-09-01

Diagnostic performance of patellar position for patellar cartilage lesions remains unclear. The aim of this study was to assess the abnormal patella height and its correlation with chondral lesions of the patellofemoral joint in China. A total of 1703 consecutive patients who performed knee joint examination using an extremity-dedicated low-field magnetic resonance imaging were enrolled in this study. Patellar cartilage lesions were diagnosed based on the result of magnetic resonance imaging and clinical data. Patella height was defined as the ratio of patellar tendon length to patellar length according to Insall-Salvati index. Patella alta and infera were defined as tendon length/patellar length >1.2 and <0.8, respectively. The total prevalence of patellar cartilage lesions was 38.0%. The prevalence in females was significantly higher than that in males (46.4% vs 28.8%, p < 0.001). Age notably increased the incidence of patellar cartilage lesions (p < 0.001). Logistic regression analysis showed that tendon length/patellar length ratio was significantly correlated with patellar cartilage lesions (odds ratio = 6.380, p < 0.001). Furthermore, patients with cartilage lesions showed significantly higher rates of patella alta and infera (p < 0.001). In addition, receiver operating characteristic curve analysis demonstrated that abnormal patella height had statistical significance in diagnosing cartilage lesions (p < 0.001). However, the area under the curve (0.596; 95% confidence interval: 0.568-0.624) and sensitivity (47.0%) were relatively low, while the specificity was 72.2%. Patients with patellar cartilage lesions have an increased tendon length/patellar length ratio. The abnormal patella height is significantly correlated with chondral lesions and can be used as a potential diagnostic marker. © The Finnish Surgical Society 2015.

Composition dependence of electronic, magnetic, transport and morphological properties of mixed valence manganite thin films

DOE PAGES

Singh, Surendra; Freeland, J. W.; Fitzsimmons, Michael R.; ...

2016-07-27

Mixed-valence manganese oxides present striking properties like the colossal magnetoresistance, metal-insulator transition (MIT) that may result from coexistence of ferromagnetic, metallic and insulating phases. Percolation of such phase coexistence in the vicinity of MIT leads to first-order transition in these manganites. However the length scales over which the electronic and magnetic phases are separated across MIT which appears compelling for bulk systems has been elusive in (La 1-yPr y) 1-xCaxMnO 3 films. Here we show the in-plane length scale over which charge and magnetism are correlated in (La 0.4Pr 0.6) 1-xCaxMnO3 films with x = 0.33 and 0.375, across themore » MIT temperature. We combine electrical transport (resistance) measurements, x-ray absorption spectroscopy (XAS), x-ray magnetic circular dichroism (XMCD), and specular/off-specular x-ray resonant magnetic scattering (XRMS) measurements as a function of temperature to elucidate relationships between electronic, magnetic and morphological structure of the thin films. Using off-specular XRMS we obtained the charge-charge and charge-magnetic correlation length of these LPCMO films across the MIT. We observed different charge-magnetic correlation length for two films which increases below the MIT. The different correlation length shown by two films may be responsible for different macroscopic (transport and magnetic) properties.« less

Density functional theory studies on the structures and water-exchange reactions of aqueous Al(III)-oxalate complexes.

PubMed

Jin, Xiaoyan; Yan, Yu; Shi, Wenjing; Bi, Shuping

2011-12-01

The structures and water-exchange reactions of aqueous aluminum-oxalate complexes are investigated using density functional theory. The present work includes (1) The structures of Al(C(2)O(4))(H(2)O)(4)(+) and Al(C(2)O(4))(2)(H(2)O)(2)(-) were optimized at the level of B3LYP/6-311+G(d,p). The geometries obtained suggest that the Al-OH(2) bond lengths trans to C(2)O(4)(2-) ligand in Al(C(2)O(4))(H(2)O)(4)(+) are much longer than the Al-OH(2) bond lengths cis to C(2)O(4)(2-). For Al(C(2)O(4))(2)(H(2)O)(2)(-), the close energies between cis and trans isomers imply the coexistence in aqueous solution. The (27)Al NMR and (13)C NMR chemical shifts computed with the consideration of sufficient solvent effect using HF GIAO method and 6-311+G(d,p) basis set are in agreement with the experimental values available, indicating the appropriateness of the applied models; (2) The water-exchange reactions of Al(III)-oxalate complexes were simulated at the same computational level. The results show that water exchange proceeds via dissociative pathway and the activation energy barriers are sensitive to the solvent effect. The energy barriers obtained indicate that the coordinated H(2)O cis to C(2)O(4)(2-) in Al(C(2)O(4))(H(2)O)(4)(+) is more labile than trans H(2)O. The water-exchange rate constants (k(ex)) of trans- and cis-Al(C(2)O(4))(2)(H(2)O)(2)(-) were estimated by four methods and their respective characteristics were explored; (3) The significance of the study on the aqueous aluminum-oxalate complexes to environmental chemistry is discussed. The influences of ubiquitous organic ligands in environment on aluminum chemistry behavior can be elucidated by extending this study to a series of Al(III)-organic system.

Ion temperature profiles in front of a negative planar electrode studied by a one-dimensional two-fluid model

NASA Astrophysics Data System (ADS)

Gyergyek, T.; Kovačič, J.

2016-06-01

Plasma-wall transition is studied by a one-dimensional steady state two-fluid model. Continuity and momentum exchange equations are used for the electrons, while the continuity, momentum exchange, and energy transport equation are used for the ions. Electrons are assumed to be isothermal. The closure of ion equations is made by the assumption that the heat flux is zero. The model equations are solved for potential, ion and electron density, and velocity and ion temperature as independent variables. The model includes coulomb collisions between ions and electrons and charge exchange collisions between ions and neutral atoms of the same species and same mass. The neutral atoms are assumed to be essentially at rest. The model is solved for finite ratio ɛ = /λ D L between the Debye length and λD and ionization length L in the pre-sheath and in the sheath at the same time. Charge exchange collisions heat the ions in the sheath and the pre-sheath. Even a small increase of the frequency of charge exchange collisions causes a substantial increase of ion temperature. Coulomb collisions have negligible effect on ion temperature in the pre-sheath, while in the sheath they cause a small cooling of ions. The increase of ɛ causes the increase of ion temperature. From the ion density and temperature profiles, the polytropic function κ is calculated according to its definition given by Kuhn et al. [Phys. Plasmas 13, 013503 (2006)]. The obtained profiles of κ indicate that the ion flow is isothermal only in a relatively narrow region in the pre-sheath, while close to the sheath edge and in the sheath it is closer to adiabatic. The ion sound velocity is space dependent and exhibits a maximum. This maximum indicates the location of the sheath edge only in the limit ɛ → 0 .

Length of hospitalization is associated with selected biomarkers (albumin and lymphocytes) and with co-morbidities: study on 4000 patients.

PubMed

Pontiroli, Antonio E; Loreggian, Lara; Rovati, Marco P L; De Patto, Elena; Folini, Laura; Raveglia, Federico; De Simone, Matilde; Baisi, Alessandro; Cioffi, Ugo

2017-01-01

Low albumin levels and low lymphocyte counts are intra hospital conditions that exert a negative influence on prognosis, healing and length of hospitalization. The study aimed to analyze the correlation between low blood levels of albumin, low lymphocytes, and length of stay. The secondary aim was to identify other co-morbidities associated with prolonged hospital stay. Retrospective pilot study was conducted by analyzing anamnestic and biochemical data, related to 4038 patients admitted to ten wards of Hospital San Paolo (Milan), collected from July 1 st 2012 to December 31 st 2012. A statistical analysis was carried out using the Correlation method, Multivariate Analysis and Regression. Lymphocyte count and co-morbidities were evaluated in the whole cohort, albumin levels in 1437 patients. In the whole sample, low albumin levels and low lymphocyte counts were directly correlated to longer hospitalizations. The stratification of the results by department and diagnosis suggests that there is a higher correlation in certain subpopulations, and albumin shows a greater correlation with length of stay than lymphocytes. Also advanced age, high platelets, type of diagnosis, male gender and emergency admission led to longer hospitalizations. A routine check of albumin, lymphocytes and a spectrum of significant variables can provide precious information which can eventually lead to a shorter hospital stay. Knowledge of the general health status of a patient and the possibility to estimate his/her length of hospital stay are essential information for Clinical Governance, and for the improvement of internal services of hospitals on a large scale.

Probing cooperative force generation in collective cancer invasion

NASA Astrophysics Data System (ADS)

Alobaidi, Amani A.; Xu, Yaopengxiao; Chen, Shaohua; Jiao, Yang; Sun, Bo

2017-08-01

Collective cellular dynamics in the three-dimensional extracellular matrix (ECM) plays a crucial role in many physiological processes such as cancer invasion. Both chemical and mechanical signaling support cell-cell communications on a variety of length scales, leading to collective migratory behaviors. Here we conduct experiments using 3D in vitro tumor models and develop a phenomenological model in order to probe the cooperativity of force generation in the collective invasion of breast cancer cells. In our model, cell-cell communication is characterized by a single parameter that quantifies the correlation length of cellular migration cycles. We devise a stochastic reconstruction method to generate realizations of cell colonies with specific contraction phase correlation functions and correlation length a. We find that as a increases, the characteristic size of regions containing cells with similar contraction phases grows. For small a values, the large fluctuations in individual cell contraction phases smooth out the temporal fluctuations in the time-dependent deformation field in the ECM. For large a values, the periodicity of an individual cell contraction cycle is clearly manifested in the temporal variation of the overall deformation field in the ECM. Through quantitative comparisons of the simulated and experimentally measured deformation fields, we find that the correlation length for collective force generation in the breast cancer diskoid in geometrically micropatterned ECM (DIGME) system is a≈ 25~μ \\text{m} , which is roughly twice the linear size of a single cell. One possible mechanism for this intermediate cell correlation length is the fiber-mediated stress propagation in the 3D ECM network in the DIGME system.

I90/94 fiber backbone network and spurs build-out. Phase II

DOT National Transportation Integrated Search

2006-09-05

The Wisconsin Department of Transportation (WisDOT) received 36 strands of dark fiber located on I-94 right of way, running the entire length of the corridor in Wisconsin. This was the result of a right of way exchange WisDOT executed in 2000. Althou...

Superacid-Surfactant Exchange: Enabling Nondestructive Dispersion of Full-Length Carbon Nanotubes in Water.

PubMed

Wang, Peng; Kim, Mijin; Peng, Zhiwei; Sun, Chuan-Fu; Mok, Jasper; Lieberman, Anna; Wang, YuHuang

2017-09-26

Attaining aqueous solutions of individual, long single-walled carbon nanotubes is a critical first step for harnessing the extraordinary properties of these materials. However, the widely used ultrasonication-ultracentrifugation approach and its variants inadvertently cut the nanotubes into short pieces. The process is also time-consuming and difficult to scale. Here we present an unexpectedly simple solution to this decade-old challenge by directly neutralizing a nanotube-chlorosulfonic acid solution in the presence of sodium deoxycholate. This straightforward superacid-surfactant exchange eliminates the need for both ultrasonication and ultracentrifugation altogether, allowing aqueous solutions of individual nanotubes to be prepared within minutes and preserving the full length of the nanotubes. We found that the average length of the processed nanotubes is more than 350% longer than sonicated controls, with a significant fraction approaching ∼9 μm, a length that is limited by only the raw material. The nondestructive nature is manifested by an extremely low density of defects, bright and homogeneous photoluminescence in the near-infrared, and ultrahigh electrical conductivity in transparent thin films (130 Ω/sq at 83% transmittance), which well exceeds that of indium tin oxide. Furthermore, we demonstrate that our method is fully compatible with established techniques for sorting nanotubes by their electronic structures and can also be readily applied to graphene. This surprisingly simple method thus enables nondestructive aqueous solution processing of high-quality carbon nanomaterials at large-scale and low-cost with the potential for a wide range of fundamental studies and applications, including, for example, transparent conductors, near-infrared imaging, and high-performance electronics.

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

Nudel, A.M.

In order to evaluate the effectiveness of ion exchange resins used in cleaning condensates at nuclear power stations by removing dissolved and suspended impurities,- and also to check the design of individual units of the filters, an experimental plant with separate H-cation exchange and OH-anion exchange filters (diameter 2m) in series was installed and tested on the bypass circuit of a VK-50 plant. The investigation was conducted in two stages, the first coinciding with reactor startup after a long shutdown, the second, carried out under settled water conditions. Radioactivity levels of the following isotopes, reponted during investigation of the filters,more » are tabulated: /sup 24/ Na, /sup 18/P, /sup 65/Zn,/sup 59/Mn, /sup 131/I, /sup 140/Ba, /sup 60/Co, /sup 99/M o, and /sup 64/Cu. It was found that the ion exchange filters, put into operation after establishing stable water conditions, ensure satisfactory removal of all impurities from the condensate over a lengthly period of time. (JGB)« less

Allometric scaling law in a simple oxygen exchanging network: possible implications on the biological allometric scaling laws.

PubMed

Santillán, Moisés

2003-07-21

A simple model of an oxygen exchanging network is presented and studied. This network's task is to transfer a given oxygen rate from a source to an oxygen consuming system. It consists of a pipeline, that interconnects the oxygen consuming system and the reservoir and of a fluid, the active oxygen transporting element, moving through the pipeline. The network optimal design (total pipeline surface) and dynamics (volumetric flow of the oxygen transporting fluid), which minimize the energy rate expended in moving the fluid, are calculated in terms of the oxygen exchange rate, the pipeline length, and the pipeline cross-section. After the oxygen exchanging network is optimized, the energy converting system is shown to satisfy a 3/4-like allometric scaling law, based upon the assumption that its performance regime is scale invariant as well as on some feasible geometric scaling assumptions. Finally, the possible implications of this result on the allometric scaling properties observed elsewhere in living beings are discussed.

Using magnetic charge to understand soft-magnetic materials

NASA Astrophysics Data System (ADS)

Arrott, Anthony S.; Templeton, Terry L.

2018-04-01

This is an overview of what the Landau-Lifshitz-Gilbert equations are doing in soft-magnetic materials with dimensions large compared to the exchange length. The surface magnetic charges try to cancel applied magnetic fields inside the soft magnetic material. The exchange energy tries to reach a minimum while meeting the boundary conditions set by the magnetic charges by using magnetization patterns that have a curl but no divergence. It can almost do this, but it still pays to add some divergence to further lower the exchange energy. There are then both positively and negatively charged regions in the bulk. The unlike charges attract one another, but do not annihilate because they are paid for by the reduction in exchange energy. The micromagnetics of soft magnetic materials is about how those charges rearrange themselves. The topology of magnetic charge distributions presents challenges for mathematicians. No one guessed that they like to form helical patterns of extended multiples of charge density.

Thermal control system. [removing waste heat from industrial process spacecraft

NASA Technical Reports Server (NTRS)

Hewitt, D. R. (Inventor)

1983-01-01

The temperature of an exothermic process plant carried aboard an Earth orbiting spacecraft is regulated using a number of curved radiator panels accurately positioned in a circular arrangement to form an open receptacle. A module containing the process is insertable into the receptacle. Heat exchangers having broad exterior surfaces extending axially above the circumference of the module fit within arcuate spacings between adjacent radiator panels. Banks of variable conductance heat pipes partially embedded within and thermally coupled to the radiator panels extend across the spacings and are thermally coupled to broad exterior surfaces of the heat exchangers by flanges. Temperature sensors monitor the temperature of process fluid flowing from the module through the heat exchanges. Thermal conduction between the heat exchangers and the radiator panels is regulated by heating a control fluid within the heat pipes to vary the effective thermal length of the heat pipes in inverse proportion to changes in the temperature of the process fluid.

Application of a chromatography model with linear gradient elution experimental data to the rapid scale-up in ion-exchange process chromatography of proteins.

PubMed

Ishihara, Takashi; Kadoya, Toshihiko; Yamamoto, Shuichi

2007-08-24

We applied the model described in our previous paper to the rapid scale-up in the ion exchange chromatography of proteins, in which linear flow velocity, column length and gradient slope were changed. We carried out linear gradient elution experiments, and obtained data for the peak salt concentration and peak width. From these data, the plate height (HETP) was calculated as a function of the mobile phase velocity and iso-resolution curve (the separation time and elution volume relationship for the same resolution) was calculated. The scale-up chromatography conditions were determined by the iso-resolution curve. The scale-up of the linear gradient elution from 5 to 100mL and 2.5L column sizes was performed both by the separation of beta-lactoglobulin A and beta-lactoglobulin B with anion-exchange chromatography and by the purification of a recombinant protein with cation-exchange chromatography. Resolution, recovery and purity were examined in order to verify the proposed method.

Determination of Normal Distribution of Distended Colon Volumes to Guide Performance of Colonic Imaging With Fluid Distention.

PubMed

Zheng, Karen S; Small, William C; Mittal, Pardeep K; Cai, Qingpo; Kang, Jian; Moreno, Courtney C

2016-01-01

The purpose was to determine the normal distribution of distended colon volumes as a guide for rectal contrast material administration protocols. All computed tomography colonography studies performed at Emory University Hospital, Atlanta, Georgia, between January 2009 and January 2015, were reviewed retrospectively. In total, 85 subjects were included in the analysis (64% [54 of 85] female and 36% [31 of 85] male). Mean patient age was 65 years (range: 42-86y). Distended colon volumes were determined from colon length and transaxial diameter measurements made using a 3-dimensional workstation. Age, sex, race, height, weight, and body mass index were recorded. The normal distributions of distended colon volumes and lengths were determined. Correlations between colonic volume and colonic length, and demographic variables were assessed. Mean colon volume was 2.1L (range: 0.7-4.4L). Nearly, 17% of patients had a distended colonic volume of >3L. Mean colon length was 197cm (range: 118-285cm). A weak negative correlation was found between age and colonic volume (r = -0.221; P = 0.04). A weak positive correlation was found between body mass index and colonic length (r = 0.368; P = 0.007). Otherwise, no significant correlations were found for distended colonic volume or length and demographic variables. In conclusion, an average of approximately 2L of contrast material may be necessary to achieve full colonic opacification. This volume is larger than previously reported volumes (0.8-1.5L) for rectal contrast material administration protocols. Copyright © 2015 Mosby, Inc. All rights reserved.

Assessment of passive muscle elongation using Diffusion Tensor MRI: Correlation between fiber length and diffusion coefficients.

PubMed

Mazzoli, Valentina; Oudeman, Jos; Nicolay, Klaas; Maas, Mario; Verdonschot, Nico; Sprengers, Andre M; Nederveen, Aart J; Froeling, Martijn; Strijkers, Gustav J

2016-12-01

In this study we investigated the changes in fiber length and diffusion parameters as a consequence of passive lengthening and stretching of the calf muscles. We hypothesized that changes in radial diffusivity (RD) are caused by changes in the muscle fiber cross sectional area (CSA) as a consequence of lengthening and shortening of the muscle. Diffusion Tensor MRI (DT-MRI) measurements were made twice in five healthy volunteers, with the foot in three different positions (30° plantarflexion, neutral position and 15° dorsiflexion). The muscles of the calf were manually segmented on co-registered high resolution anatomical scans, and maps of RD and axial diffusivity (AD) were reconstructed from the DT-MRI data. Fiber tractography was performed and mean fiber length was calculated for each muscle group. Significant negative correlations were found between the changes in RD and changes in fiber length in the dorsiflexed and plantarflexed positions, compared with the neutral foot position. Changes in AD did not correlate with changes in fiber length. Assuming a simple cylindrical model with constant volume for the muscle fiber, the changes in the muscle fiber CSA were calculated from the changes in fiber length. In line with our hypothesis, we observed a significant positive correlation of the CSA with the measured changes in RD. In conclusion, we showed that changes in diffusion coefficients induced by passive muscle stretching and lengthening can be explained by changes in muscle CSA, advancing the physiological interpretation of parameters derived from skeletal muscle DT-MRI. Copyright © 2016 John Wiley & Sons, Ltd.

Calcaneotalar ratio: a new concept in the estimation of the length of the calcaneus.

PubMed

David, Vikram; Stephens, Terry J; Kindl, Radek; Ang, Andy; Tay, Wei-Han; Asaid, Rafik; McCullough, Keith

2015-01-01

Maintaining the calcaneal length after calcaneal fractures is vital to restoring the normal biomechanics of the foot, because it acts as an important lever arm to the plantarflexors of the foot. However, estimation of the length of the calcaneus to be reconstructed in comminuted calcaneal fractures can be difficult. We propose a new method to reliably estimate the calcaneal length radiographically by defining the calcaneotalar length ratio. A total of 100 ankle radiographs with no fracture in the calcaneus or talus taken in skeletally mature patients were reviewed by 6 observers. The anteroposterior lengths of the calcaneus and talus were measured, and the calcaneotalar length ratio was determined. The ratio was then used to estimate the length of the calcaneus. Interobserver reliability was determined using Cronbach's α coefficient and Pearson's correlation coefficient. The mean length of the calcaneus was 75 ± 0.6 mm, and the mean length of the talus was 59 ± 0.5 mm. The calcaneotalar ratio was 1.3. Using this ratio and multiplying it by the talar length, the mean average estimated length of the calcaneus was within 0.7 mm of the known calcaneal length. Cronbach's α coefficient and Pearson's correlation coefficient showed excellent interobserver reliability. The proposed calcaneotalar ratio is a new and reliable method to radiographically estimate the normal length of the calcaneus when reconstructing the calcaneus. Copyright © 2015 American College of Foot and Ankle Surgeons. Published by Elsevier Inc. All rights reserved.